| 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 | 37.1 | Very low | 44.8 | Very low | 204 Ų | 204 | 96.9 Ų | 96.9 | 100% | 1.005 | 57% | 0.569 | S | S | * | * | 0 | -50 | 0 | -65.8 | -166.4 | -153.9 | 0 | 0 | 112.7 | N3 Q4 A5 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.73Å; M1-Q4 PolarHBondContact O-N 3.4Å; M1-A5 PolarHBondContact O-N 3.11Å | |||
| 2 | A | 35.5 | Very low | 46.4 | Very low | 76 Ų | 76 | 92.1 Ų | 92.1 | 63% | 0.628 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.5 | -37.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q4 A5 | A2-Q4 VanDerWaalsContact C-N 3.33Å; A2-Q4 PolarHBondContact O-N 3.37Å; A2-A5 PolarHBondContact O-N 3.37Å |
| 3 | N | 34.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 92.5 Ų | 92.5 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.1 | -24.7 | 178.6 | -68.3 | -3.5 | 0 | 0 | 0 | 114.2 | M1 L7 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.73Å; N3-L7 WeakPolarHBondContact O-CD1 3.02Å |
| 4 | Q | 37.2 | Very low | 48.1 | Very low | 143 Ų | 143 | 89.5 Ų | 89.5 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -82.2 | -27.1 | 176.6 | -83.9 | 171.3 | -34.1 | 0 | 0 | 112.2 | M1 A2 | M1-Q4 PolarHBondContact O-N 3.4Å; A2-Q4 VanDerWaalsContact C-N 3.33Å; A2-Q4 PolarHBondContact O-N 3.37Å |
| 5 | A | 42 | Very low | 49.2 | Very low | 61 Ų | 61 | 92.6 Ų | 92.6 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.3 | -35 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 A2 T8 | M1-A5 PolarHBondContact O-N 3.11Å; A2-A5 PolarHBondContact O-N 3.37Å; A5-T8 PolarHBondContact O-N 3.27Å; A5-T8 PolarHBondContact O-OG1 3.29Å |
| 6 | L | 43.2 | Very low | 50 | Low | 80 Ų | 80 | 87.8 Ų | 87.8 | 42% | 0.419 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 176.5 | -90.3 | 143.4 | 0 | 0 | 0 | 113 | T8 S9 I12 I50 | L6-T8 PolarHBondContact O-N 3.41Å; L6-S9 PolarHBondContact O-N 3.02Å; L6-S9 PolarHBondContact O-OG 3.4Å; L6-I12 HydrophobicContact CD2-CD1 4.2Å; L6-I50 HydrophobicContact CB-CD1 4.26Å |
| 7 | L | 45.8 | Very low | 50.6 | Low | 80 Ų | 80 | 89.6 Ų | 89.6 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.1 | 174.5 | -77.7 | 161.4 | 0 | 0 | 0 | 113.3 | N3 L13 L53 | N3-L7 WeakPolarHBondContact O-CD1 3.02Å; L7-L13 WeakPolarHBondContact O-CD1 3.21Å; L7-L53 HydrophobicContact CD2-CD1 4Å; L7-L53 HydrophobicContact CD2-CD2 4.43Å |
| 8 | T | 49 | Very low | 51.3 | Low | 104 Ų | 104 | 89.4 Ų | 89.4 | 64% | 0.638 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.8 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | A5 L6 P10 | A5-T8 PolarHBondContact O-N 3.27Å; A5-T8 PolarHBondContact O-OG1 3.29Å; L6-T8 PolarHBondContact O-N 3.41Å; T8-P10 VanDerWaalsContact O-CD 3.27Å; T8-P10 WeakPolarHBondContact O-CD 3.47Å |
| 9 | S | 54.7 | Low | 51.9 | Low | 29 Ų | 29 | 85.4 Ų | 85.4 | 20% | 0.203 | 47% | 0.472 | C | S | . | . | trans | -69.8 | 119.3 | 177.7 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | L6 S11 I12 L13 | L6-S9 PolarHBondContact O-N 3.02Å; L6-S9 PolarHBondContact O-OG 3.4Å; S9-S11 PolarHBondContact O-N 3.23Å; S9-S11 VanDerWaalsContact O-N 3.1Å; S9-I12 PolarHBondContact O-N 3.4Å; S9-I12 WeakPolarHBondContact OG-CB 3.4Å; S9-I12 VanDerWaalsContact OG-CD1 3.29Å; S9-I12 WeakPolarHBondContact OG-CD1 3.35Å; S9-I12 VanDerWaalsContact OG-CG1 3.26Å; S9-I12 WeakPolarHBondContact OG-CG1 3.42Å; S9-L13 PolarHBondContact O-N 2.88Å | ||
| 10 | P | 55.4 | Low | 52.4 | Low | 108 Ų | 108 | 83 Ų | 83 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.4 | -26.7 | -177.7 | -22.6 | 32.2 | 0 | 0 | 0 | 112.7 | T8 S14 | T8-P10 VanDerWaalsContact O-CD 3.27Å; T8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-S14 WeakPolarHBondContact O-CB 3.35Å; P10-S14 PolarHBondContact O-N 3.26Å; P10-S14 PolarHBondContact O-OG 3.16Å |
| 11 | S | 59.1 | Low | 52.6 | Low | 64 Ų | 64 | 82.5 Ų | 82.5 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.6 | -52.4 | 177.9 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | S9 L13 S14 Y15 | S9-S11 PolarHBondContact O-N 3.23Å; S9-S11 VanDerWaalsContact O-N 3.1Å; S11-L13 PolarHBondContact O-N 3.37Å; S11-S14 WeakPolarHBondContact CA-OG 3.29Å; S11-S14 PolarHBondContact O-N 2.98Å; S11-S14 VanDerWaalsContact O-N 3.17Å; S11-S14 PolarHBondContact O-OG 3.5Å; S11-Y15 VanDerWaalsContact O-CD2 3.25Å; S11-Y15 WeakPolarHBondContact O-CD2 3.35Å; S11-Y15 PolarHBondContact O-N 3.17Å |
| 12 | I | 63.6 | Low | 53.6 | Low | 39 Ų | 39 | 76.2 Ų | 76.2 | 20% | 0.2 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | -177.3 | -62.2 | 177.1 | 0 | 0 | 0 | 110.8 | L6 S9 Y15 L16 L46 | L6-I12 HydrophobicContact CD2-CD1 4.2Å; S9-I12 PolarHBondContact O-N 3.4Å; S9-I12 WeakPolarHBondContact OG-CB 3.4Å; S9-I12 VanDerWaalsContact OG-CD1 3.29Å; S9-I12 WeakPolarHBondContact OG-CD1 3.35Å; S9-I12 VanDerWaalsContact OG-CG1 3.26Å; S9-I12 WeakPolarHBondContact OG-CG1 3.42Å; I12-Y15 PolarHBondContact O-N 2.69Å; I12-L16 HydrophobicContact CG2-CD1 4.03Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 PolarHBondContact O-N 3.45Å; I12-L46 HydrophobicContact CG2-CD2 3.88Å |
| 13 | L | 59.1 | Low | 54.7 | Low | 97 Ų | 97 | 72.8 Ų | 72.8 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 172.7 | -91 | 153.7 | 0 | 0 | 0 | 111.9 | L7 S9 S11 Y15 L16 F17 | L7-L13 WeakPolarHBondContact O-CD1 3.21Å; S9-L13 PolarHBondContact O-N 2.88Å; S11-L13 PolarHBondContact O-N 3.37Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 PolarHBondContact O-N 3.16Å; L13-L16 PolarHBondContact O-N 3.37Å; L13-F17 WeakPolarHBondContact O-CB 3.44Å; L13-F17 PolarHBondContact O-N 3.32Å |
| 14 | S | 57.5 | Low | 55.6 | Low | 51 Ų | 51 | 70 Ų | 70 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 175.9 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | P10 S11 F17 I18 | P10-S14 WeakPolarHBondContact O-CB 3.35Å; P10-S14 PolarHBondContact O-N 3.26Å; P10-S14 PolarHBondContact O-OG 3.16Å; S11-S14 WeakPolarHBondContact CA-OG 3.29Å; S11-S14 PolarHBondContact O-N 2.98Å; S11-S14 VanDerWaalsContact O-N 3.17Å; S11-S14 PolarHBondContact O-OG 3.5Å; S14-F17 PolarHBondContact O-N 2.78Å; S14-I18 WeakPolarHBondContact O-CB 3.38Å; S14-I18 WeakPolarHBondContact O-CD1 3.21Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 3.18Å |
| 15 | Y | 64.2 | Low | 56.2 | Low | 136 Ų | 136 | 72.8 Ų | 72.8 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.2 | -43.7 | 177 | -89.6 | -76.9 | 0 | 0 | 0 | 112.2 | S11 I12 L13 F17 I18 L19 | S11-Y15 VanDerWaalsContact O-CD2 3.25Å; S11-Y15 WeakPolarHBondContact O-CD2 3.35Å; S11-Y15 PolarHBondContact O-N 3.17Å; I12-Y15 PolarHBondContact O-N 2.69Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 PolarHBondContact O-N 3.16Å; Y15-F17 VanDerWaalsContact C-N 3.29Å; Y15-F17 PolarHBondContact O-N 3.46Å; Y15-I18 PolarHBondContact O-N 3.21Å; Y15-L19 WeakPolarHBondContact O-CB 3Å; Y15-L19 WeakPolarHBondContact O-CG 3.36Å; Y15-L19 PolarHBondContact O-N 3.36Å |
| 16 | L | 62 | Low | 56.6 | Low | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 172.7 | -77.2 | 165.4 | 0 | 0 | 0 | 111 | I12 L13 L19 Y20 L43 L46 L53 V56 | I12-L16 HydrophobicContact CG2-CD1 4.03Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 PolarHBondContact O-N 3.45Å; L13-L16 PolarHBondContact O-N 3.37Å; L16-L19 PolarHBondContact O-N 2.92Å; L16-Y20 WeakPolarHBondContact O-CB 3.38Å; L16-Y20 PolarHBondContact O-N 2.9Å; L16-L43 HydrophobicContact CD2-CD2 4.26Å; L16-L46 HydrophobicContact CD2-CD1 4.08Å; L16-L46 HydrophobicContact CG-CD1 4.35Å; L16-L53 HydrophobicContact CD1-CD2 4.21Å; L16-V56 HydrophobicContact CD2-CG2 3.98Å |
| 17 | F | 59.9 | Low | 56.6 | Low | 120 Ų | 120 | 71.4 Ų | 71.4 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.7 | -39 | 176.4 | -170.5 | -107.2 | 0 | 0 | 0 | 112.4 | L13 S14 Y15 Y20 L21 | L13-F17 WeakPolarHBondContact O-CB 3.44Å; L13-F17 PolarHBondContact O-N 3.32Å; S14-F17 PolarHBondContact O-N 2.78Å; Y15-F17 VanDerWaalsContact C-N 3.29Å; Y15-F17 PolarHBondContact O-N 3.46Å; F17-Y20 PolarHBondContact O-N 3.41Å; F17-L21 HydrophobicContact CD1-CD1 3.63Å; F17-L21 HydrophobicContact CD1-CG 4.16Å; F17-L21 HydrophobicContact CE1-CD1 3.4Å; F17-L21 HydrophobicContact CE1-CD2 4.43Å; F17-L21 HydrophobicContact CE1-CG 3.96Å; F17-L21 HydrophobicContact CZ-CD1 4.11Å; F17-L21 HydrophobicContact CZ-CD2 4.35Å; F17-L21 HydrophobicContact CZ-CG 4.23Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 VanDerWaalsContact O-CG 3.26Å; F17-L21 WeakPolarHBondContact O-CG 3.34Å; F17-L21 PolarHBondContact O-N 3.08Å |
| 18 | I | 63.1 | Low | 56.6 | Low | 85 Ų | 85 | 69.2 Ų | 69.2 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 173.8 | -72.2 | 162.2 | 0 | 0 | 0 | 110.5 | S14 Y15 Y20 L21 L22 | S14-I18 WeakPolarHBondContact O-CB 3.38Å; S14-I18 WeakPolarHBondContact O-CD1 3.21Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 3.18Å; Y15-I18 PolarHBondContact O-N 3.21Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 2.86Å; I18-L21 PolarHBondContact O-N 3.5Å; I18-L22 HydrophobicContact CG2-CD1 3.83Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 VanDerWaalsContact O-CG 3.24Å; I18-L22 WeakPolarHBondContact O-CG 3.28Å; I18-L22 PolarHBondContact O-N 3.06Å |
| 19 | L | 62.5 | Low | 56.7 | Low | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 175.2 | -74.3 | 168.5 | 0 | 0 | 0 | 111.4 | Y15 L16 L22 F23 A39 I42 L43 | Y15-L19 WeakPolarHBondContact O-CB 3Å; Y15-L19 WeakPolarHBondContact O-CG 3.36Å; Y15-L19 PolarHBondContact O-N 3.36Å; L16-L19 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 3.09Å; L19-F23 WeakPolarHBondContact O-CB 3.49Å; L19-F23 PolarHBondContact O-N 2.9Å; L19-A39 HydrophobicContact CD2-CB 3.88Å; L19-I42 HydrophobicContact CD1-CG2 4.19Å; L19-L43 HydrophobicContact CD1-CD2 4.12Å; L19-L43 HydrophobicContact CD1-CG 4.43Å |
| 20 | Y | 62.7 | Low | 56.7 | Low | 38 Ų | 38 | 75.8 Ų | 75.8 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 174.6 | -177.9 | -102 | 0 | 0 | 0 | 112.4 | L16 F17 I18 F23 N24 M59 E169 | L16-Y20 WeakPolarHBondContact O-CB 3.38Å; L16-Y20 PolarHBondContact O-N 2.9Å; F17-Y20 PolarHBondContact O-N 3.41Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 2.86Å; Y20-F23 PolarHBondContact O-N 3.2Å; Y20-N24 VanDerWaalsContact CD1-ND2 3.28Å; Y20-N24 WeakPolarHBondContact CD1-ND2 3.49Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.42Å; Y20-N24 WeakPolarHBondContact O-CB 3.4Å; Y20-N24 PolarHBondContact O-N 3.37Å; Y20-N24 PolarHBondContact O-ND2 3.26Å; Y20-N24 VanDerWaalsContact O-ND2 3.15Å; Y20-M59 HydrophobicContact CD2-CE 4.35Å; Y20-M59 HydrophobicContact CD2-SD 4.22Å; Y20-E169 PolarHBondContact OH-O 3.21Å |
| 21 | L | 56.6 | Low | 57 | Low | 73 Ų | 73 | 71.8 Ų | 71.8 | 38% | 0.382 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 174.2 | -79.2 | 174.4 | 0 | 0 | 0 | 112.1 | F17 I18 F23 N24 R25 | F17-L21 HydrophobicContact CD1-CD1 3.63Å; F17-L21 HydrophobicContact CD1-CG 4.16Å; F17-L21 HydrophobicContact CE1-CD1 3.4Å; F17-L21 HydrophobicContact CE1-CD2 4.43Å; F17-L21 HydrophobicContact CE1-CG 3.96Å; F17-L21 HydrophobicContact CZ-CD1 4.11Å; F17-L21 HydrophobicContact CZ-CD2 4.35Å; F17-L21 HydrophobicContact CZ-CG 4.23Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 VanDerWaalsContact O-CG 3.26Å; F17-L21 WeakPolarHBondContact O-CG 3.34Å; F17-L21 PolarHBondContact O-N 3.08Å; I18-L21 PolarHBondContact O-N 3.5Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-N24 PolarHBondContact O-N 2.98Å; L21-R25 WeakPolarHBondContact O-CB 3.43Å; L21-R25 PolarHBondContact O-N 3.19Å |
| 22 | L | 58.9 | Low | 57.2 | Low | 72 Ų | 72 | 71.7 Ų | 71.7 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 173.9 | -74.7 | 165.2 | 0 | 0 | 0 | 110.6 | I18 L19 D26 | I18-L22 HydrophobicContact CG2-CD1 3.83Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 VanDerWaalsContact O-CG 3.24Å; I18-L22 WeakPolarHBondContact O-CG 3.28Å; I18-L22 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 3.09Å; L22-D26 PolarHBondContact O-N 3.05Å |
| 23 | F | 57.7 | Low | 57.4 | Low | 3 Ų | 3 | 75.5 Ų | 75.5 | 1% | 0.013 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.8 | -166.4 | -97.9 | 0 | 0 | 0 | 112 | L19 Y20 L21 L27 M59 C62 F63 L66 Y170 | L19-F23 WeakPolarHBondContact O-CB 3.49Å; L19-F23 PolarHBondContact O-N 2.9Å; Y20-F23 PolarHBondContact O-N 3.2Å; L21-F23 VanDerWaalsContact C-N 3.3Å; F23-L27 HydrophobicContact CD1-CD1 3.72Å; F23-L27 HydrophobicContact CD2-CD1 3.74Å; F23-L27 HydrophobicContact CE1-CD1 3.34Å; F23-L27 HydrophobicContact CE2-CD1 3.37Å; F23-L27 HydrophobicContact CG-CD1 3.89Å; F23-L27 HydrophobicContact CZ-CD1 3.12Å; F23-L27 WeakPolarHBondContact O-CD1 3.47Å; F23-M59 HydrophobicContact CB-CE 4.03Å; F23-M59 HydrophobicContact CG-CE 4.2Å; F23-C62 HydrophobicContact CE1-CB 4.13Å; F23-C62 HydrophobicContact CE2-CB 3.59Å; F23-C62 HydrophobicContact CZ-CB 3.32Å; F23-F63 HydrophobicContact CD2-CE1 4.22Å; F23-F63 HydrophobicContact CD2-CE2 4.31Å; F23-F63 HydrophobicContact CD2-CZ 4.05Å; F23-L66 HydrophobicContact CD2-CD1 3.93Å; F23-L66 HydrophobicContact CE2-CD1 3.48Å; F23-L66 VanDerWaalsContact CE2-CD1 3.48Å; F23-L66 HydrophobicContact CE2-CG 4.27Å; F23-L66 HydrophobicContact CZ-CD1 4.47Å; F23-Y170 HydrophobicContact CD1-CD2 4.34Å; F23-Y170 HydrophobicContact CD1-CG 4.45Å; F23-Y170 AromaticContact CE1-CD2 3.4Å; F23-Y170 HydrophobicContact CE1-CD2 3.4Å; F23-Y170 HydrophobicContact CE1-CE2 4.14Å; F23-Y170 AromaticContact CE1-CG 3.62Å; F23-Y170 HydrophobicContact CE1-CG 3.62Å; F23-Y170 HydrophobicContact CZ-CD2 4.14Å; F23-Y170 HydrophobicContact CZ-CE2 4.48Å; F23-Y170 HydrophobicContact CZ-CG 4.49Å |
| 24 | N | 53.4 | Low | 57.9 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 32% | 0.316 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 179.2 | -86.6 | -49.9 | 0 | 0 | 0 | 114.4 | Y20 L21 Y170 | Y20-N24 VanDerWaalsContact CD1-ND2 3.28Å; Y20-N24 WeakPolarHBondContact CD1-ND2 3.49Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.42Å; Y20-N24 WeakPolarHBondContact O-CB 3.4Å; Y20-N24 PolarHBondContact O-N 3.37Å; Y20-N24 PolarHBondContact O-ND2 3.26Å; Y20-N24 VanDerWaalsContact O-ND2 3.15Å; L21-N24 PolarHBondContact O-N 2.98Å; N24-Y170 PolarHBondContact OD1-O 3.06Å |
| 25 | R | 49.9 | Very low | 58.6 | Low | 202 Ų | 202 | 78.2 Ų | 78.2 | 76% | 0.762 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -79.1 | -33.6 | -175.8 | -88.6 | -175.4 | 163.2 | -177.2 | -4.4 | 113.6 | L21 | L21-R25 WeakPolarHBondContact O-CB 3.43Å; L21-R25 PolarHBondContact O-N 3.19Å |
| 26 | D | 50.5 | Low | 59.1 | Low | 50 Ų | 50 | 71.8 Ų | 71.8 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -115.1 | 5.8 | -163.4 | -73.5 | -46.2 | 0 | 0 | 0 | 114.9 | L22 Q28 K29 | L22-D26 PolarHBondContact O-N 3.05Å; D26-Q28 PolarHBondContact O-N 3.34Å; D26-K29 CarbonylContact O-C 3.59Å; D26-K29 PolarHBondContact O-N 3.07Å |
| 27 | L | 42.7 | Very low | 59.9 | Low | 61 Ų | 61 | 73.6 Ų | 73.6 | 32% | 0.319 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -6.1 | -179.4 | -134.2 | 123.8 | 0 | 0 | 0 | 115.5 | F23 L66 | F23-L27 HydrophobicContact CD1-CD1 3.72Å; F23-L27 HydrophobicContact CD2-CD1 3.74Å; F23-L27 HydrophobicContact CE1-CD1 3.34Å; F23-L27 HydrophobicContact CE2-CD1 3.37Å; F23-L27 HydrophobicContact CG-CD1 3.89Å; F23-L27 HydrophobicContact CZ-CD1 3.12Å; F23-L27 WeakPolarHBondContact O-CD1 3.47Å; L27-L66 HydrophobicContact CD1-CD1 4.09Å; L27-L66 HydrophobicContact CD1-CD2 4.14Å; L27-L66 HydrophobicContact CD1-CG 4.47Å; L27-L66 HydrophobicContact CD2-CD2 3.88Å; L27-L66 HydrophobicContact CG-CD1 4.4Å; L27-L66 HydrophobicContact CG-CD2 3.66Å |
| 28 | Q | 46.5 | Very low | 60.9 | Low | 35 Ų | 35 | 70.4 Ų | 70.4 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -11.9 | 173 | -68.1 | -175.3 | -9.3 | 0 | 0 | 112.9 | D26 V211 | D26-Q28 PolarHBondContact O-N 3.34Å; Q28-V211 HydrophobicContact CB-CG1 3.7Å; Q28-V211 HydrophobicContact CG-CG1 4.29Å; Q28-V211 VanDerWaalsContact OE1-C 3.26Å; Q28-V211 VanDerWaalsContact OE1-CB 3.25Å; Q28-V211 PolarHBondContact OE1-O 3.42Å |
| 29 | K | 50.4 | Low | 61.7 | Low | 108 Ų | 108 | 66.5 Ų | 66.5 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -98.4 | 136.3 | 165.9 | -71.4 | 175.3 | -178.5 | 168.3 | 0 | 107.8 | D26 L31 W245 | D26-K29 CarbonylContact O-C 3.59Å; D26-K29 PolarHBondContact O-N 3.07Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 2.9Å; K29-W245 HydrophobicContact CG-CB 4.24Å; K29-W245 HydrophobicContact CG-CG 4.28Å |
| 30 | Q | 55.4 | Low | 62.7 | Low | 163 Ų | 163 | 66.8 Ų | 66.8 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | trans | -59.9 | 101 | 167.9 | -77.2 | 176.2 | -39 | 0 | 0 | 108 | S32 | Q30-S32 PolarHBondContact O-N 3.41Š| ||
| 31 | L | 60.4 | Low | 63.7 | Low | 24 Ų | 24 | 67.8 Ų | 67.8 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | trans | -53.5 | 129.7 | 171.8 | -90.6 | 146.7 | 0 | 0 | 0 | 107.3 | K29 N33 I35 L66 | K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 2.9Å; L31-N33 PolarHBondContact O-N 2.97Å; L31-I35 HydrophobicContact CD2-CB 4.03Å; L31-I35 HydrophobicContact CD2-CD1 4.24Å; L31-I35 HydrophobicContact CD2-CG2 3.58Å; L31-L66 HydrophobicContact CD1-CD1 3.83Å | ||
| 32 | S | 63.6 | Low | 64.9 | Low | 61 Ų | 61 | 67.4 Ų | 67.4 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | trans | -56.6 | 137.9 | 177.6 | 71.2 | 0 | 0 | 0 | 0 | 109.2 | Q30 H34 I35 C36 | Q30-S32 PolarHBondContact O-N 3.41Å; S32-H34 PolarHBondContact O-N 3.47Å; S32-I35 PolarHBondContact O-N 3.05Å; S32-I35 WeakPolarHBondContact OG-CD1 3.4Å; S32-I35 WeakPolarHBondContact OG-CG1 3.48Å; S32-C36 PolarHBondContact O-N 3.08Å | ||
| 33 | N | 69 | Low | 66 | Low | 119 Ų | 119 | 64 Ų | 64 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -51 | -28.2 | -179.3 | -81.1 | -23.6 | 0 | 0 | 0 | 113 | L31 S37 | L31-N33 PolarHBondContact O-N 2.97Å; N33-S37 WeakPolarHBondContact O-CB 3.3Å; N33-S37 PolarHBondContact O-N 3.29Å; N33-S37 PolarHBondContact O-OG 3.39Å |
| 34 | H | 68.6 | Low | 67.3 | Low | 131 Ų | 131 | 65.4 Ų | 65.4 | 61% | 0.606 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 174.8 | -170 | -51.6 | 0 | 0 | 0 | 113 | S32 S37 T38 | S32-H34 PolarHBondContact O-N 3.47Å; H34-S37 WeakPolarHBondContact CA-OG 3.3Å; H34-S37 PolarHBondContact O-N 3.32Å; H34-S37 PolarHBondContact O-OG 2.93Å; H34-T38 WeakPolarHBondContact O-CG2 3.27Å; H34-T38 PolarHBondContact O-N 3.33Å; H34-T38 PolarHBondContact O-OG1 3.48Å; H34-T38 VanDerWaalsContact O-OG1 3.1Å |
| 35 | I | 73.1 | Confident | 68.7 | Low | 74 Ų | 74 | 66.7 Ų | 66.7 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 178.7 | -63.5 | 165.5 | 0 | 0 | 0 | 109.2 | L31 S32 S37 T38 A39 | L31-I35 HydrophobicContact CD2-CB 4.03Å; L31-I35 HydrophobicContact CD2-CD1 4.24Å; L31-I35 HydrophobicContact CD2-CG2 3.58Å; S32-I35 PolarHBondContact O-N 3.05Å; S32-I35 WeakPolarHBondContact OG-CD1 3.4Å; S32-I35 WeakPolarHBondContact OG-CG1 3.48Å; I35-S37 VanDerWaalsContact C-N 3.35Å; I35-S37 PolarHBondContact O-N 3.15Å; I35-T38 WeakPolarHBondContact CA-OG1 3.37Å; I35-T38 PolarHBondContact O-N 3.35Å; I35-T38 PolarHBondContact O-OG1 3.31Å; I35-A39 WeakPolarHBondContact O-CB 3.31Å; I35-A39 PolarHBondContact O-N 3.15Å |
| 36 | C | 74.2 | Confident | 70.1 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 174.9 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | S32 A39 L40 | S32-C36 PolarHBondContact O-N 3.08Å; C36-A39 PolarHBondContact O-N 3.12Å; C36-L40 WeakPolarHBondContact O-CB 3.24Å; C36-L40 VanDerWaalsContact O-CG 3.28Å; C36-L40 WeakPolarHBondContact O-CG 3.38Å; C36-L40 PolarHBondContact O-N 3.43Å |
| 37 | S | 78.9 | Confident | 71.5 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 178.4 | 67.6 | 0 | 0 | 0 | 0 | 112.5 | N33 H34 I35 L40 S41 | N33-S37 WeakPolarHBondContact O-CB 3.3Å; N33-S37 PolarHBondContact O-N 3.29Å; N33-S37 PolarHBondContact O-OG 3.39Å; H34-S37 WeakPolarHBondContact CA-OG 3.3Å; H34-S37 PolarHBondContact O-N 3.32Å; H34-S37 PolarHBondContact O-OG 2.93Å; I35-S37 VanDerWaalsContact C-N 3.35Å; I35-S37 PolarHBondContact O-N 3.15Å; S37-L40 PolarHBondContact O-N 3.01Å; S37-S41 PolarHBondContact O-N 3.29Å |
| 38 | T | 79.9 | Confident | 73.4 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.5 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | H34 I35 L40 S41 I42 | H34-T38 WeakPolarHBondContact O-CG2 3.27Å; H34-T38 PolarHBondContact O-N 3.33Å; H34-T38 PolarHBondContact O-OG1 3.48Å; H34-T38 VanDerWaalsContact O-OG1 3.1Å; I35-T38 WeakPolarHBondContact CA-OG1 3.37Å; I35-T38 PolarHBondContact O-N 3.35Å; I35-T38 PolarHBondContact O-OG1 3.31Å; T38-L40 PolarHBondContact O-N 3.05Å; T38-S41 PolarHBondContact O-N 3.43Å; T38-S41 PolarHBondContact O-OG 3.03Å; T38-I42 WeakPolarHBondContact O-CG1 3.27Å; T38-I42 PolarHBondContact O-N 3.28Å |
| 39 | A | 80 | Confident | 74.9 | Confident | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.025 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L19 I35 C36 S41 I42 L43 F63 | L19-A39 HydrophobicContact CD2-CB 3.88Å; I35-A39 WeakPolarHBondContact O-CB 3.31Å; I35-A39 PolarHBondContact O-N 3.15Å; C36-A39 PolarHBondContact O-N 3.12Å; A39-S41 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 3.45Å; A39-I42 PolarHBondContact O-N 3.06Å; A39-L43 VanDerWaalsContact O-CG 3.27Å; A39-L43 WeakPolarHBondContact O-CG 3.09Å; A39-L43 PolarHBondContact O-N 3.01Å; A39-F63 HydrophobicContact CB-CD1 4.08Å; A39-F63 HydrophobicContact CB-CD2 4.27Å; A39-F63 HydrophobicContact CB-CE1 3.7Å; A39-F63 HydrophobicContact CB-CE2 3.92Å; A39-F63 HydrophobicContact CB-CG 4.37Å; A39-F63 HydrophobicContact CB-CZ 3.62Å |
| 40 | L | 84.5 | Confident | 76.2 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.8 | -73.7 | 170.2 | 0 | 0 | 0 | 112.1 | C36 S37 T38 L43 A44 R60 F63 | C36-L40 WeakPolarHBondContact O-CB 3.24Å; C36-L40 VanDerWaalsContact O-CG 3.28Å; C36-L40 WeakPolarHBondContact O-CG 3.38Å; C36-L40 PolarHBondContact O-N 3.43Å; S37-L40 PolarHBondContact O-N 3.01Å; T38-L40 PolarHBondContact O-N 3.05Å; L40-L43 PolarHBondContact O-N 3.45Å; L40-A44 WeakPolarHBondContact O-CB 3.48Å; L40-A44 PolarHBondContact O-N 2.99Å; L40-R60 HydrophobicContact CD2-CB 4.49Å; L40-R60 HydrophobicContact CD2-CG 4.4Å; L40-F63 HydrophobicContact CD2-CB 3.71Å; L40-F63 HydrophobicContact CG-CB 4.01Å |
| 41 | S | 83.3 | Confident | 77.3 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 177.1 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | S37 T38 A39 A44 I45 | S37-S41 PolarHBondContact O-N 3.29Å; T38-S41 PolarHBondContact O-N 3.43Å; T38-S41 PolarHBondContact O-OG 3.03Å; A39-S41 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 3.45Å; S41-A44 PolarHBondContact O-N 3.03Å; S41-I45 WeakPolarHBondContact O-CD1 3.38Å; S41-I45 VanDerWaalsContact O-CG1 3.25Å; S41-I45 WeakPolarHBondContact O-CG1 3.34Å; S41-I45 PolarHBondContact O-N 3.05Å |
| 42 | I | 81.3 | Confident | 78 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 34% | 0.338 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.2 | -44 | 177.5 | -65.3 | 163.6 | 0 | 0 | 0 | 110.3 | L19 T38 A39 A44 I45 L46 | L19-I42 HydrophobicContact CD1-CG2 4.19Å; T38-I42 WeakPolarHBondContact O-CG1 3.27Å; T38-I42 PolarHBondContact O-N 3.28Å; A39-I42 PolarHBondContact O-N 3.06Å; I42-A44 VanDerWaalsContact C-N 3.33Å; I42-A44 PolarHBondContact O-N 3.35Å; I42-I45 PolarHBondContact O-N 2.92Å; I42-L46 HydrophobicContact CG2-CD1 4.35Å; I42-L46 WeakPolarHBondContact O-CG 3.43Å; I42-L46 PolarHBondContact O-N 2.69Å |
| 43 | L | 82.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 177.5 | -66.1 | 168.7 | 0 | 0 | 0 | 112.2 | L16 L19 A39 L40 L46 L47 V56 M59 R60 F63 | L16-L43 HydrophobicContact CD2-CD2 4.26Å; L19-L43 HydrophobicContact CD1-CD2 4.12Å; L19-L43 HydrophobicContact CD1-CG 4.43Å; A39-L43 VanDerWaalsContact O-CG 3.27Å; A39-L43 WeakPolarHBondContact O-CG 3.09Å; A39-L43 PolarHBondContact O-N 3.01Å; L40-L43 PolarHBondContact O-N 3.45Å; L43-L46 HydrophobicContact CD2-CD1 4.37Å; L43-L46 PolarHBondContact O-N 3.48Å; L43-L47 PolarHBondContact O-N 3.28Å; L43-L47 VanDerWaalsContact O-N 3.09Å; L43-V56 HydrophobicContact CB-CG1 3.98Å; L43-V56 HydrophobicContact CD2-CG1 3.86Å; L43-V56 HydrophobicContact CG-CG1 4.49Å; L43-M59 HydrophobicContact CD1-CB 4.19Å; L43-M59 HydrophobicContact CD2-CB 4.37Å; L43-R60 HydrophobicContact CB-CG 3.54Å; L43-R60 HydrophobicContact CD1-CG 3.81Å; L43-R60 HydrophobicContact CG-CG 4.28Å; L43-F63 HydrophobicContact CD1-CD2 3.57Å; L43-F63 HydrophobicContact CD1-CE2 3.84Å |
| 44 | A | 85 | Confident | 79.4 | Confident | 33 Ų | 33 | 56 Ų | 56 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L40 S41 I42 L46 L47 E48 | L40-A44 WeakPolarHBondContact O-CB 3.48Å; L40-A44 PolarHBondContact O-N 2.99Å; S41-A44 PolarHBondContact O-N 3.03Å; I42-A44 VanDerWaalsContact C-N 3.33Å; I42-A44 PolarHBondContact O-N 3.35Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 PolarHBondContact O-N 2.81Å; A44-L47 PolarHBondContact O-N 3.29Å; A44-L47 VanDerWaalsContact O-N 3.14Å; A44-E48 PolarHBondContact O-N 3.44Å |
| 45 | I | 83.3 | Confident | 79.8 | Confident | 86 Ų | 86 | 50.3 Ų | 50.3 | 44% | 0.441 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 174.1 | -66 | 163.3 | 0 | 0 | 0 | 110.2 | S41 I42 L47 E48 Y49 | S41-I45 WeakPolarHBondContact O-CD1 3.38Å; S41-I45 VanDerWaalsContact O-CG1 3.25Å; S41-I45 WeakPolarHBondContact O-CG1 3.34Å; S41-I45 PolarHBondContact O-N 3.05Å; I42-I45 PolarHBondContact O-N 2.92Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.29Å; I45-E48 WeakPolarHBondContact O-CB 3.42Å; I45-E48 PolarHBondContact O-N 3.02Å; I45-Y49 HydrophobicContact CG2-CD2 3.94Å; I45-Y49 HydrophobicContact CG2-CE2 3.66Å; I45-Y49 WeakPolarHBondContact O-CD2 3.2Å; I45-Y49 PolarHBondContact O-N 3.48Å |
| 46 | L | 79.5 | Confident | 80.2 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -35.5 | 177.5 | -75.2 | 171.4 | 0 | 0 | 0 | 113.1 | I12 L16 I42 L43 A44 Y49 I50 | I12-L46 HydrophobicContact CG2-CD2 3.88Å; L16-L46 HydrophobicContact CD2-CD1 4.08Å; L16-L46 HydrophobicContact CG-CD1 4.35Å; I42-L46 HydrophobicContact CG2-CD1 4.35Å; I42-L46 WeakPolarHBondContact O-CG 3.43Å; I42-L46 PolarHBondContact O-N 2.69Å; L43-L46 HydrophobicContact CD2-CD1 4.37Å; L43-L46 PolarHBondContact O-N 3.48Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 PolarHBondContact O-N 2.81Å; L46-Y49 PolarHBondContact O-N 2.98Å; L46-I50 PolarHBondContact O-N 2.86Å |
| 47 | L | 80.4 | Confident | 80.7 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.8 | -29.3 | 176.2 | -77.7 | 167.6 | 0 | 0 | 0 | 113.6 | L43 A44 I45 Y49 I50 P51 V56 F57 | L43-L47 PolarHBondContact O-N 3.28Å; L43-L47 VanDerWaalsContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 3.29Å; A44-L47 VanDerWaalsContact O-N 3.14Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.29Å; L47-Y49 VanDerWaalsContact C-N 3.27Å; L47-Y49 PolarHBondContact O-N 2.92Å; L47-I50 CarbonylContact O-C 3.53Å; L47-P51 WeakPolarHBondContact O-CA 3Å; L47-V56 HydrophobicContact CD1-CG1 3.75Å; L47-V56 HydrophobicContact CD2-CB 4.08Å; L47-V56 HydrophobicContact CD2-CG1 4.01Å; L47-V56 HydrophobicContact CG-CB 4.18Å; L47-V56 HydrophobicContact CG-CG1 3.53Å; L47-F57 HydrophobicContact CD1-CD1 4.39Å; L47-F57 HydrophobicContact CD1-CE1 4.09Å; L47-F57 HydrophobicContact CD1-CE2 4.46Å; L47-F57 HydrophobicContact CD1-CZ 4.11Å; L47-F57 HydrophobicContact CD2-CD2 3.85Å; L47-F57 HydrophobicContact CD2-CE1 4.26Å; L47-F57 HydrophobicContact CD2-CE2 3.25Å; L47-F57 HydrophobicContact CD2-CZ 3.49Å; L47-F57 VanDerWaalsContact CD2-CZ 3.49Å; L47-F57 HydrophobicContact CG-CE2 4.48Å; L47-F57 HydrophobicContact CG-CZ 4.39Å |
| 48 | E | 81.8 | Confident | 80.9 | Confident | 162 Ų | 162 | 44.7 Ų | 44.7 | 76% | 0.757 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -61.8 | -38.2 | 170.8 | -73 | -176.3 | 169.3 | 0 | 0 | 111.3 | A44 I45 | A44-E48 PolarHBondContact O-N 3.44Å; I45-E48 WeakPolarHBondContact O-CB 3.42Å; I45-E48 PolarHBondContact O-N 3.02Å |
| 49 | Y | 79 | Confident | 81 | Confident | 171 Ų | 171 | 42.3 Ų | 42.3 | 67% | 0.671 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -82.9 | -36.7 | 177.6 | -71.4 | -74.8 | 0 | 0 | 0 | 113.5 | I45 L46 L47 | I45-Y49 HydrophobicContact CG2-CD2 3.94Å; I45-Y49 HydrophobicContact CG2-CE2 3.66Å; I45-Y49 WeakPolarHBondContact O-CD2 3.2Å; I45-Y49 PolarHBondContact O-N 3.48Å; L46-Y49 PolarHBondContact O-N 2.98Å; L47-Y49 VanDerWaalsContact C-N 3.27Å; L47-Y49 PolarHBondContact O-N 2.92Å |
| 50 | I | 77 | Confident | 81.2 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | trans | -134.3 | 79.9 | -175 | -49 | 172.9 | 0 | 0 | 0 | 109.8 | L6 L46 L47 G52 L53 | L6-I50 HydrophobicContact CB-CD1 4.26Å; L46-I50 PolarHBondContact O-N 2.86Å; L47-I50 CarbonylContact O-C 3.53Å; I50-G52 PolarHBondContact O-N 3.3Å; I50-G52 VanDerWaalsContact O-N 3.13Å; I50-L53 HydrophobicContact CG2-CB 4.01Å; I50-L53 PolarHBondContact O-N 2.68Å | ||
| 51 | P | 77.6 | Confident | 81.3 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 53% | 0.532 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.5 | -175.9 | 25.4 | -34.3 | 0 | 0 | 0 | 114 | L47 F57 K83 | L47-P51 WeakPolarHBondContact O-CA 3Å; P51-F57 WeakPolarHBondContact O-CE2 3.36Å; P51-K83 PolarHBondContact O-NZ 3.17Å |
| 52 | G | 75.5 | Confident | 81.3 | Confident | 55 Ų | 55 | 41 Ų | 41 | 57% | 0.567 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | 0 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | I50 L54 | I50-G52 PolarHBondContact O-N 3.3Å; I50-G52 VanDerWaalsContact O-N 3.13Å; G52-L54 PolarHBondContact O-N 3.44Å |
| 53 | L | 79.6 | Confident | 81.4 | Confident | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | trans | -86 | 91.9 | -171.2 | -170.3 | 57.2 | 0 | 0 | 0 | 111.8 | L7 L16 I50 A55 V56 | L7-L53 HydrophobicContact CD2-CD1 4Å; L7-L53 HydrophobicContact CD2-CD2 4.43Å; L16-L53 HydrophobicContact CD1-CD2 4.21Å; I50-L53 HydrophobicContact CG2-CB 4.01Å; I50-L53 PolarHBondContact O-N 2.68Å; L53-A55 HydrophobicContact CD1-CB 3.99Å; L53-A55 HydrophobicContact CG-CB 3.98Å; L53-A55 PolarHBondContact O-N 3.01Å; L53-V56 HydrophobicContact CB-CG2 4.2Å; L53-V56 HydrophobicContact CD2-CG2 3.46Å; L53-V56 VanDerWaalsContact CD2-CG2 3.46Å; L53-V56 HydrophobicContact CG-CB 4.49Å; L53-V56 HydrophobicContact CG-CG2 3.78Å; L53-V56 PolarHBondContact O-N 3.37Å | ||
| 54 | L | 81.9 | Confident | 81.6 | Confident | 39 Ų | 39 | 38.7 Ų | 38.7 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.5 | -39.7 | -179.1 | -60.8 | 173 | 0 | 0 | 0 | 113.3 | G52 V56 F57 F58 K83 D84 F168 | G52-L54 PolarHBondContact O-N 3.44Å; L54-V56 PolarHBondContact O-N 3.14Å; L54-F57 WeakPolarHBondContact O-CB 3.3Å; L54-F57 PolarHBondContact O-N 3.43Å; L54-F57 VanDerWaalsContact O-N 3.14Å; L54-F58 PolarHBondContact O-N 2.85Å; L54-K83 HydrophobicContact CD2-CB 3.54Å; L54-K83 HydrophobicContact CD2-CD 4.07Å; L54-K83 HydrophobicContact CD2-CG 4.44Å; L54-D84 HydrophobicContact CD1-CB 3.66Å; L54-D84 HydrophobicContact CD2-CB 4.28Å; L54-F168 HydrophobicContact CB-CE1 4.19Å; L54-F168 HydrophobicContact CB-CZ 3.69Å; L54-F168 HydrophobicContact CD1-CZ 4.44Å |
| 55 | A | 77.6 | Confident | 81.6 | Confident | 10 Ų | 10 | 38 Ų | 38 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -44.7 | -41.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | L53 M59 F167 | L53-A55 HydrophobicContact CD1-CB 3.99Å; L53-A55 HydrophobicContact CG-CB 3.98Å; L53-A55 PolarHBondContact O-N 3.01Å; A55-M59 WeakPolarHBondContact O-CG 3.44Å; A55-M59 PolarHBondContact O-N 3.02Å; A55-M59 VanDerWaalsContact O-N 3.11Å; A55-F167 HydrophobicContact CB-CD1 3.16Å; A55-F167 HydrophobicContact CB-CD2 4.3Å; A55-F167 HydrophobicContact CB-CE1 3.07Å; A55-F167 HydrophobicContact CB-CE2 4.2Å; A55-F167 HydrophobicContact CB-CG 3.82Å; A55-F167 HydrophobicContact CB-CZ 3.62Å |
| 56 | V | 81.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -78 | -37.3 | -177.3 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L16 L43 L47 L53 L54 F58 M59 R60 | L16-V56 HydrophobicContact CD2-CG2 3.98Å; L43-V56 HydrophobicContact CB-CG1 3.98Å; L43-V56 HydrophobicContact CD2-CG1 3.86Å; L43-V56 HydrophobicContact CG-CG1 4.49Å; L47-V56 HydrophobicContact CD1-CG1 3.75Å; L47-V56 HydrophobicContact CD2-CB 4.08Å; L47-V56 HydrophobicContact CD2-CG1 4.01Å; L47-V56 HydrophobicContact CG-CB 4.18Å; L47-V56 HydrophobicContact CG-CG1 3.53Å; L53-V56 HydrophobicContact CB-CG2 4.2Å; L53-V56 HydrophobicContact CD2-CG2 3.46Å; L53-V56 VanDerWaalsContact CD2-CG2 3.46Å; L53-V56 HydrophobicContact CG-CB 4.49Å; L53-V56 HydrophobicContact CG-CG2 3.78Å; L53-V56 PolarHBondContact O-N 3.37Å; L54-V56 PolarHBondContact O-N 3.14Å; V56-F58 VanDerWaalsContact C-N 3.32Å; V56-F58 PolarHBondContact O-N 3.01Å; V56-M59 PolarHBondContact O-N 3.36Å; V56-R60 HydrophobicContact CG1-CG 4.49Å; V56-R60 WeakPolarHBondContact O-CB 3.18Å; V56-R60 WeakPolarHBondContact O-CG 3.41Å; V56-R60 PolarHBondContact O-N 3.43Å |
| 57 | F | 83.8 | Confident | 81.4 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 172.4 | -73.2 | -81.4 | 0 | 0 | 0 | 110.8 | L47 P51 L54 M59 R60 A61 E76 E79 C80 K83 | L47-F57 HydrophobicContact CD1-CD1 4.39Å; L47-F57 HydrophobicContact CD1-CE1 4.09Å; L47-F57 HydrophobicContact CD1-CE2 4.46Å; L47-F57 HydrophobicContact CD1-CZ 4.11Å; L47-F57 HydrophobicContact CD2-CD2 3.85Å; L47-F57 HydrophobicContact CD2-CE1 4.26Å; L47-F57 HydrophobicContact CD2-CE2 3.25Å; L47-F57 HydrophobicContact CD2-CZ 3.49Å; L47-F57 VanDerWaalsContact CD2-CZ 3.49Å; L47-F57 HydrophobicContact CG-CE2 4.48Å; L47-F57 HydrophobicContact CG-CZ 4.39Å; P51-F57 WeakPolarHBondContact O-CE2 3.36Å; L54-F57 WeakPolarHBondContact O-CB 3.3Å; L54-F57 PolarHBondContact O-N 3.43Å; L54-F57 VanDerWaalsContact O-N 3.14Å; F57-M59 PolarHBondContact O-N 2.75Å; F57-R60 PolarHBondContact O-N 2.88Å; F57-A61 WeakPolarHBondContact O-CB 3.38Å; F57-A61 PolarHBondContact O-N 3.34Å; F57-E76 VanDerWaalsContact CD1-OE2 3.3Å; F57-E76 WeakPolarHBondContact CD1-OE2 3.15Å; F57-E79 HydrophobicContact CD1-CB 4.34Å; F57-E79 HydrophobicContact CE1-CB 4.31Å; F57-E79 VanDerWaalsContact CE1-OE2 3.24Å; F57-E79 WeakPolarHBondContact CE1-OE2 3.4Å; F57-C80 HydrophobicContact CB-CB 4.21Å; F57-K83 HydrophobicContact CE2-CD 4.44Å |
| 58 | F | 83.1 | Confident | 81.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.9 | -171.2 | -99 | 0 | 0 | 0 | 112.4 | L54 V56 A61 C62 L77 V90 L93 F168 Y170 | L54-F58 PolarHBondContact O-N 2.85Å; V56-F58 VanDerWaalsContact C-N 3.32Å; V56-F58 PolarHBondContact O-N 3.01Å; F58-A61 PolarHBondContact O-N 3.16Å; F58-C62 WeakPolarHBondContact O-CB 3.38Å; F58-C62 PolarHBondContact O-N 2.93Å; F58-C62 PolarHBondContact O-SG 3.28Å; F58-L77 HydrophobicContact CD2-CD2 4.01Å; F58-V90 HydrophobicContact CD2-CG2 4.38Å; F58-L93 HydrophobicContact CD2-CD2 4.09Å; F58-L93 HydrophobicContact CE2-CB 4.33Å; F58-L93 HydrophobicContact CE2-CD2 3.58Å; F58-L93 HydrophobicContact CZ-CD2 4.01Å; F58-F168 HydrophobicContact CB-CD1 3.86Å; F58-F168 HydrophobicContact CB-CE1 3.92Å; F58-F168 HydrophobicContact CD1-CD1 4.09Å; F58-F168 AromaticContact CD2-CD1 3.72Å; F58-F168 HydrophobicContact CD2-CD1 3.72Å; F58-F168 HydrophobicContact CD2-CE1 4.39Å; F58-F168 HydrophobicContact CE1-CB 4.41Å; F58-F168 WeakPolarHBondContact CE1-O 3.47Å; F58-F168 HydrophobicContact CE2-CD1 4.23Å; F58-F168 AromaticContact CG-CD1 3.63Å; F58-F168 HydrophobicContact CG-CD1 3.63Å; F58-F168 HydrophobicContact CG-CE1 4.21Å; F58-F168 HydrophobicContact CZ-CB 4.34Å; F58-F168 WeakPolarHBondContact CZ-O 3.36Å; F58-Y170 AromaticContact CE1-CD1 3.65Å; F58-Y170 HydrophobicContact CE1-CD1 3.65Å; F58-Y170 HydrophobicContact CE1-CE1 4.33Å; F58-Y170 AromaticContact CZ-CD1 3.76Å; F58-Y170 HydrophobicContact CZ-CD1 3.76Å; F58-Y170 HydrophobicContact CZ-CE1 4.04Å |
| 59 | M | 82 | Confident | 81.6 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 175.3 | -72 | -66.1 | -75.8 | 0 | 0 | 112.7 | Y20 F23 L43 A55 V56 F57 C62 F63 F167 | Y20-M59 HydrophobicContact CD2-CE 4.35Å; Y20-M59 HydrophobicContact CD2-SD 4.22Å; F23-M59 HydrophobicContact CB-CE 4.03Å; F23-M59 HydrophobicContact CG-CE 4.2Å; L43-M59 HydrophobicContact CD1-CB 4.19Å; L43-M59 HydrophobicContact CD2-CB 4.37Å; A55-M59 WeakPolarHBondContact O-CG 3.44Å; A55-M59 PolarHBondContact O-N 3.02Å; A55-M59 VanDerWaalsContact O-N 3.11Å; V56-M59 PolarHBondContact O-N 3.36Å; F57-M59 PolarHBondContact O-N 2.75Å; M59-C62 VanDerWaalsContact O-CB 3.3Å; M59-C62 WeakPolarHBondContact O-CB 3.48Å; M59-C62 PolarHBondContact O-N 3.44Å; M59-F63 HydrophobicContact CE-CE2 4.28Å; M59-F63 WeakPolarHBondContact O-CD2 3.43Å; M59-F63 PolarHBondContact O-N 3.43Å; M59-F167 HydrophobicContact CG-CE1 4.07Å |
| 60 | R | 85.7 | Confident | 82 | Confident | 50 Ų | 50 | 32.6 Ų | 32.6 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 174.6 | -80 | -179.5 | 63.7 | 169.7 | -2.8 | 111.7 | L40 L43 V56 F57 C62 F63 H64 E76 | L40-R60 HydrophobicContact CD2-CB 4.49Å; L40-R60 HydrophobicContact CD2-CG 4.4Å; L43-R60 HydrophobicContact CB-CG 3.54Å; L43-R60 HydrophobicContact CD1-CG 3.81Å; L43-R60 HydrophobicContact CG-CG 4.28Å; V56-R60 HydrophobicContact CG1-CG 4.49Å; V56-R60 WeakPolarHBondContact O-CB 3.18Å; V56-R60 WeakPolarHBondContact O-CG 3.41Å; V56-R60 PolarHBondContact O-N 3.43Å; F57-R60 PolarHBondContact O-N 2.88Å; R60-C62 VanDerWaalsContact C-N 3.25Å; R60-C62 PolarHBondContact O-N 3.42Å; R60-F63 PolarHBondContact O-N 3.01Å; R60-F63 VanDerWaalsContact O-N 3.14Å; R60-H64 PolarHBondContact O-CD2 2.86Å; R60-H64 PolarHBondContact O-N 3.22Å; R60-E76 IonicContact CZ-OE1 3Å; R60-E76 IonicContact CZ-OE2 3.41Å; R60-E76 IonicContact NE-OE1 3.38Å; R60-E76 PolarHBondContact NE-OE1 2.9Å; R60-E76 IonicContact NE-OE2 3.12Å; R60-E76 IonicContact NH1-OE1 3.01Å; R60-E76 IonicContact NH2-OE1 2.79Å; R60-E76 PolarHBondContact NH2-OE1 3.48Å |
| 61 | A | 86.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F57 F58 F63 H64 I65 A73 E76 L77 | F57-A61 WeakPolarHBondContact O-CB 3.38Å; F57-A61 PolarHBondContact O-N 3.34Å; F58-A61 PolarHBondContact O-N 3.16Å; A61-F63 PolarHBondContact O-N 2.9Å; A61-H64 WeakPolarHBondContact O-CB 3.49Å; A61-H64 PolarHBondContact O-N 3.47Å; A61-H64 VanDerWaalsContact O-N 3.15Å; A61-I65 VanDerWaalsContact O-CG1 3.31Å; A61-I65 WeakPolarHBondContact O-CG1 3.44Å; A61-I65 PolarHBondContact O-N 3Å; A61-A73 HydrophobicContact CB-CB 4.34Å; A61-E76 HydrophobicContact CB-CB 4.14Å; A61-L77 HydrophobicContact CB-CD1 4.13Å; A61-L77 HydrophobicContact CB-CD2 3.71Å; A61-L77 HydrophobicContact CB-CG 3.6Å |
| 62 | C | 83.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.6 | -44.1 | 174.3 | -79.8 | 0 | 0 | 0 | 0 | 113.9 | F23 F58 M59 R60 I65 L66 | F23-C62 HydrophobicContact CE1-CB 4.13Å; F23-C62 HydrophobicContact CE2-CB 3.59Å; F23-C62 HydrophobicContact CZ-CB 3.32Å; F58-C62 WeakPolarHBondContact O-CB 3.38Å; F58-C62 PolarHBondContact O-N 2.93Å; F58-C62 PolarHBondContact O-SG 3.28Å; M59-C62 VanDerWaalsContact O-CB 3.3Å; M59-C62 WeakPolarHBondContact O-CB 3.48Å; M59-C62 PolarHBondContact O-N 3.44Å; R60-C62 VanDerWaalsContact C-N 3.25Å; R60-C62 PolarHBondContact O-N 3.42Å; C62-I65 PolarHBondContact O-N 3.03Å; C62-L66 PolarHBondContact O-N 3.47Å; C62-L66 VanDerWaalsContact O-N 3.14Å |
| 63 | F | 83.3 | Confident | 83.9 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.7 | -32.2 | 173.9 | -81.2 | -71.3 | 0 | 0 | 0 | 113.3 | F23 A39 L40 L43 M59 R60 A61 L66 R67 | F23-F63 HydrophobicContact CD2-CE1 4.22Å; F23-F63 HydrophobicContact CD2-CE2 4.31Å; F23-F63 HydrophobicContact CD2-CZ 4.05Å; A39-F63 HydrophobicContact CB-CD1 4.08Å; A39-F63 HydrophobicContact CB-CD2 4.27Å; A39-F63 HydrophobicContact CB-CE1 3.7Å; A39-F63 HydrophobicContact CB-CE2 3.92Å; A39-F63 HydrophobicContact CB-CG 4.37Å; A39-F63 HydrophobicContact CB-CZ 3.62Å; L40-F63 HydrophobicContact CD2-CB 3.71Å; L40-F63 HydrophobicContact CG-CB 4.01Å; L43-F63 HydrophobicContact CD1-CD2 3.57Å; L43-F63 HydrophobicContact CD1-CE2 3.84Å; M59-F63 HydrophobicContact CE-CE2 4.28Å; M59-F63 WeakPolarHBondContact O-CD2 3.43Å; M59-F63 PolarHBondContact O-N 3.43Å; R60-F63 PolarHBondContact O-N 3.01Å; R60-F63 VanDerWaalsContact O-N 3.14Å; A61-F63 PolarHBondContact O-N 2.9Å; F63-L66 HydrophobicContact CD1-CD1 4.15Å; F63-L66 HydrophobicContact CE1-CD1 4.49Å; F63-L66 PolarHBondContact O-N 3.46Å; F63-R67 PolarHBondContact O-N 3.38Å; F63-R67 VanDerWaalsContact O-N 3.16Å |
| 64 | H | 86.3 | Confident | 84.5 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 6% | 0.06 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 172.5 | -79.4 | -59.8 | 0 | 0 | 0 | 112 | R60 A61 L66 R67 D68 D69 A73 | R60-H64 PolarHBondContact O-CD2 2.86Å; R60-H64 PolarHBondContact O-N 3.22Å; A61-H64 WeakPolarHBondContact O-CB 3.49Å; A61-H64 PolarHBondContact O-N 3.47Å; A61-H64 VanDerWaalsContact O-N 3.15Å; H64-L66 VanDerWaalsContact C-N 3.28Å; H64-L66 PolarHBondContact O-N 3.38Å; H64-R67 CarbonylContact O-C 3.49Å; H64-R67 PolarHBondContact O-N 3.36Å; H64-R67 VanDerWaalsContact O-N 3.08Å; H64-D68 PolarHBondContact O-N 3.1Å; H64-D69 HydrophobicContact CB-CB 4.4Å; H64-D69 PolarHBondContact O-N 2.83Å; H64-A73 HydrophobicContact CB-CB 3.85Å |
| 65 | I | 84.5 | Confident | 84.9 | Confident | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.097 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 172.4 | -64.4 | 165.3 | 0 | 0 | 0 | 110.8 | A61 C62 R67 D68 A73 L93 I97 | A61-I65 VanDerWaalsContact O-CG1 3.31Å; A61-I65 WeakPolarHBondContact O-CG1 3.44Å; A61-I65 PolarHBondContact O-N 3Å; C62-I65 PolarHBondContact O-N 3.03Å; I65-R67 VanDerWaalsContact C-N 3.27Å; I65-R67 PolarHBondContact O-N 3.26Å; I65-D68 PolarHBondContact O-N 3.03Å; I65-D68 VanDerWaalsContact O-N 3.14Å; I65-A73 HydrophobicContact CG1-CB 3.8Å; I65-L93 HydrophobicContact CD1-CD1 3.77Å; I65-L93 HydrophobicContact CD1-CD2 4.19Å; I65-L93 HydrophobicContact CD1-CG 4.1Å; I65-I97 HydrophobicContact CD1-CD1 3.86Å; I65-I97 HydrophobicContact CD1-CG1 3.9Å; I65-I97 HydrophobicContact CG1-CD1 4.17Å; I65-I97 HydrophobicContact CG1-CG1 4.13Å |
| 66 | L | 78.4 | Confident | 85.3 | Confident | 56 Ų | 56 | 38.5 Ų | 38.5 | 29% | 0.293 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.9 | -27.7 | 176.1 | -72.2 | 172.2 | 0 | 0 | 0 | 113.7 | F23 L27 L31 C62 F63 H64 D68 | F23-L66 HydrophobicContact CD2-CD1 3.93Å; F23-L66 HydrophobicContact CE2-CD1 3.48Å; F23-L66 VanDerWaalsContact CE2-CD1 3.48Å; F23-L66 HydrophobicContact CE2-CG 4.27Å; F23-L66 HydrophobicContact CZ-CD1 4.47Å; L27-L66 HydrophobicContact CD1-CD1 4.09Å; L27-L66 HydrophobicContact CD1-CD2 4.14Å; L27-L66 HydrophobicContact CD1-CG 4.47Å; L27-L66 HydrophobicContact CD2-CD2 3.88Å; L27-L66 HydrophobicContact CG-CD1 4.4Å; L27-L66 HydrophobicContact CG-CD2 3.66Å; L31-L66 HydrophobicContact CD1-CD1 3.83Å; C62-L66 PolarHBondContact O-N 3.47Å; C62-L66 VanDerWaalsContact O-N 3.14Å; F63-L66 HydrophobicContact CD1-CD1 4.15Å; F63-L66 HydrophobicContact CE1-CD1 4.49Å; F63-L66 PolarHBondContact O-N 3.46Å; H64-L66 VanDerWaalsContact C-N 3.28Å; H64-L66 PolarHBondContact O-N 3.38Å; L66-D68 VanDerWaalsContact C-N 3.27Å |
| 67 | R | 79.8 | Confident | 85.7 | Confident | 101 Ų | 101 | 38.5 Ų | 38.5 | 38% | 0.381 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2.7 | 175.4 | -149.7 | 175 | 86.9 | 154.3 | 11.8 | 113.1 | F63 H64 I65 D69 | F63-R67 PolarHBondContact O-N 3.38Å; F63-R67 VanDerWaalsContact O-N 3.16Å; H64-R67 CarbonylContact O-C 3.49Å; H64-R67 PolarHBondContact O-N 3.36Å; H64-R67 VanDerWaalsContact O-N 3.08Å; I65-R67 VanDerWaalsContact C-N 3.27Å; I65-R67 PolarHBondContact O-N 3.26Å; R67-D69 IonicContact CZ-OD2 3.1Å; R67-D69 IonicContact NE-OD2 2.55Å; R67-D69 PolarHBondContact NE-OD2 3.4Å; R67-D69 IonicContact NH2-OD2 3.93Å; R67-D69 PolarHBondContact NH2-OD2 3.13Å; R67-D69 PolarHBondContact O-N 2.95Å |
| 68 | D | 80.5 | Confident | 86 | Confident | 119 Ų | 119 | 44.2 Ų | 44.2 | 64% | 0.636 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 18.9 | -173 | -148.1 | 30.8 | 0 | 0 | 0 | 114.1 | H64 I65 L66 L70 | H64-D68 PolarHBondContact O-N 3.1Å; I65-D68 PolarHBondContact O-N 3.03Å; I65-D68 VanDerWaalsContact O-N 3.14Å; L66-D68 VanDerWaalsContact C-N 3.27Å; D68-L70 VanDerWaalsContact C-N 3.31Å; D68-L70 PolarHBondContact O-N 3.47Å; D68-L70 VanDerWaalsContact O-N 3.13Å |
| 69 | D | 86.6 | Confident | 86.2 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | trans | -87.4 | 69.8 | 174.4 | -80.6 | -19.1 | 0 | 0 | 0 | 109.7 | H64 R67 D71 K72 A73 | H64-D69 HydrophobicContact CB-CB 4.4Å; H64-D69 PolarHBondContact O-N 2.83Å; R67-D69 IonicContact CZ-OD2 3.1Å; R67-D69 IonicContact NE-OD2 2.55Å; R67-D69 PolarHBondContact NE-OD2 3.4Å; R67-D69 IonicContact NH2-OD2 3.93Å; R67-D69 PolarHBondContact NH2-OD2 3.13Å; R67-D69 PolarHBondContact O-N 2.95Å; D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 3.32Å; D69-K72 HydrophobicContact CB-CD 4.5Å; D69-K72 PolarHBondContact O-N 3.3Å; D69-A73 PolarHBondContact O-N 2.82Å | ||
| 70 | L | 88.3 | Confident | 86.4 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.12 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | -174 | -59.2 | -179.6 | 0 | 0 | 0 | 112.7 | D68 K72 A73 T74 I97 R100 Q101 | D68-L70 VanDerWaalsContact C-N 3.31Å; D68-L70 PolarHBondContact O-N 3.47Å; D68-L70 VanDerWaalsContact O-N 3.13Å; L70-K72 PolarHBondContact O-N 3.14Å; L70-A73 WeakPolarHBondContact O-CB 2.93Å; L70-A73 PolarHBondContact O-N 3.32Å; L70-T74 WeakPolarHBondContact O-CG2 3.48Å; L70-T74 PolarHBondContact O-N 3.17Å; L70-I97 HydrophobicContact CB-CG2 4.08Å; L70-I97 HydrophobicContact CD2-CG2 4.34Å; L70-R100 HydrophobicContact CD1-CB 3.85Å; L70-Q101 HydrophobicContact CB-CG 4.05Å; L70-Q101 HydrophobicContact CD1-CG 3.74Å |
| 71 | D | 89.9 | Confident | 86.4 | Confident | 109 Ų | 109 | 47.6 Ų | 47.6 | 58% | 0.583 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.3 | -46.5 | -177.2 | -60.4 | -27.1 | 0 | 0 | 0 | 111.9 | D69 A73 T74 E75 Q101 | D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 3.32Å; D71-A73 VanDerWaalsContact C-N 3.31Å; D71-A73 PolarHBondContact O-N 3.5Å; D71-T74 PolarHBondContact O-N 3.31Å; D71-T74 VanDerWaalsContact O-N 3.11Å; D71-T74 PolarHBondContact O-OG1 2.78Å; D71-E75 PolarHBondContact O-N 2.97Å; D71-Q101 PolarHBondContact OD1-NE2 3.32Å; D71-Q101 VanDerWaalsContact OD1-NE2 3.14Å |
| 72 | K | 89.5 | Confident | 86.5 | Confident | 96 Ų | 96 | 53 Ų | 53 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.5 | -67.5 | -178.7 | -177.8 | 171.6 | 0 | 111.9 | D69 L70 T74 E75 E76 | D69-K72 HydrophobicContact CB-CD 4.5Å; D69-K72 PolarHBondContact O-N 3.3Å; L70-K72 PolarHBondContact O-N 3.14Å; K72-T74 VanDerWaalsContact C-N 3.29Å; K72-T74 PolarHBondContact O-N 3.48Å; K72-E75 PolarHBondContact O-N 3.45Å; K72-E76 VanDerWaalsContact O-CG 3.26Å; K72-E76 WeakPolarHBondContact O-CG 3.35Å; K72-E76 PolarHBondContact O-N 3.19Å |
| 73 | A | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A61 H64 I65 D69 L70 D71 L77 I97 | A61-A73 HydrophobicContact CB-CB 4.34Å; H64-A73 HydrophobicContact CB-CB 3.85Å; I65-A73 HydrophobicContact CG1-CB 3.8Å; D69-A73 PolarHBondContact O-N 2.82Å; L70-A73 WeakPolarHBondContact O-CB 2.93Å; L70-A73 PolarHBondContact O-N 3.32Å; D71-A73 VanDerWaalsContact C-N 3.31Å; D71-A73 PolarHBondContact O-N 3.5Å; A73-L77 VanDerWaalsContact O-CG 3.28Å; A73-L77 WeakPolarHBondContact O-CG 3.36Å; A73-L77 PolarHBondContact O-N 2.93Å; A73-L77 VanDerWaalsContact O-N 3.13Å; A73-I97 HydrophobicContact CB-CD1 3.98Å |
| 74 | T | 91.4 | Very high | 86.6 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 175.3 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | L70 D71 K72 L77 R78 L94 I97 | L70-T74 WeakPolarHBondContact O-CG2 3.48Å; L70-T74 PolarHBondContact O-N 3.17Å; D71-T74 PolarHBondContact O-N 3.31Å; D71-T74 VanDerWaalsContact O-N 3.11Å; D71-T74 PolarHBondContact O-OG1 2.78Å; K72-T74 VanDerWaalsContact C-N 3.29Å; K72-T74 PolarHBondContact O-N 3.48Å; T74-L77 PolarHBondContact O-N 2.84Å; T74-R78 WeakPolarHBondContact O-CB 3.42Å; T74-R78 VanDerWaalsContact O-CG 3.25Å; T74-R78 WeakPolarHBondContact O-CG 3.23Å; T74-R78 PolarHBondContact O-N 3.41Å; T74-L94 HydrophobicContact CG2-CD2 4.48Å; T74-I97 HydrophobicContact CG2-CB 4.42Å; T74-I97 HydrophobicContact CG2-CG2 3.52Å |
| 75 | E | 90.4 | Very high | 86.5 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.6 | -49.2 | 177 | -70.6 | 175.9 | 171.4 | 0 | 0 | 111.2 | D71 K72 L77 R78 E79 | D71-E75 PolarHBondContact O-N 2.97Å; K72-E75 PolarHBondContact O-N 3.45Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.95Å; E75-R78 PolarHBondContact O-N 2.91Å; E75-E79 PolarHBondContact O-N 3.49Å |
| 76 | E | 87.7 | Confident | 86.5 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 179.1 | -64.4 | -78.9 | 172.9 | 0 | 0 | 112.3 | F57 R60 A61 K72 E79 C80 | F57-E76 VanDerWaalsContact CD1-OE2 3.3Å; F57-E76 WeakPolarHBondContact CD1-OE2 3.15Å; R60-E76 IonicContact CZ-OE1 3Å; R60-E76 IonicContact CZ-OE2 3.41Å; R60-E76 IonicContact NE-OE1 3.38Å; R60-E76 PolarHBondContact NE-OE1 2.9Å; R60-E76 IonicContact NE-OE2 3.12Å; R60-E76 IonicContact NH1-OE1 3.01Å; R60-E76 IonicContact NH2-OE1 2.79Å; R60-E76 PolarHBondContact NH2-OE1 3.48Å; A61-E76 HydrophobicContact CB-CB 4.14Å; K72-E76 VanDerWaalsContact O-CG 3.26Å; K72-E76 WeakPolarHBondContact O-CG 3.35Å; K72-E76 PolarHBondContact O-N 3.19Å; E76-E79 PolarHBondContact O-N 2.96Å; E76-C80 PolarHBondContact O-N 2.96Å |
| 77 | L | 89.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73 | -36 | 176.8 | -68.4 | 171.4 | 0 | 0 | 0 | 112.2 | F58 A61 A73 T74 E75 E79 C80 L81 V90 L93 L94 I97 | F58-L77 HydrophobicContact CD2-CD2 4.01Å; A61-L77 HydrophobicContact CB-CD1 4.13Å; A61-L77 HydrophobicContact CB-CD2 3.71Å; A61-L77 HydrophobicContact CB-CG 3.6Å; A73-L77 VanDerWaalsContact O-CG 3.28Å; A73-L77 WeakPolarHBondContact O-CG 3.36Å; A73-L77 PolarHBondContact O-N 2.93Å; A73-L77 VanDerWaalsContact O-N 3.13Å; T74-L77 PolarHBondContact O-N 2.84Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.95Å; L77-E79 VanDerWaalsContact C-N 3.34Å; L77-C80 VanDerWaalsContact O-CB 3.29Å; L77-C80 WeakPolarHBondContact O-CB 3.32Å; L77-C80 PolarHBondContact O-N 2.9Å; L77-L81 PolarHBondContact O-N 3.39Å; L77-V90 HydrophobicContact CB-CG1 4.04Å; L77-V90 HydrophobicContact CD2-CG1 4.02Å; L77-L93 HydrophobicContact CD1-CB 4.22Å; L77-L93 HydrophobicContact CD1-CD2 3.77Å; L77-L93 HydrophobicContact CD1-CG 3.85Å; L77-L93 HydrophobicContact CD2-CD2 3.87Å; L77-L93 HydrophobicContact CG-CD2 4.45Å; L77-L94 HydrophobicContact CB-CD1 4.39Å; L77-L94 HydrophobicContact CB-CD2 3.75Å; L77-L94 HydrophobicContact CB-CG 3.99Å; L77-L94 HydrophobicContact CD1-CD2 3.87Å; L77-L94 HydrophobicContact CD1-CG 4.03Å; L77-L94 HydrophobicContact CG-CD2 4.49Å; L77-I97 HydrophobicContact CD1-CD1 3.4Å; L77-I97 VanDerWaalsContact CD1-CD1 3.4Å |
| 78 | R | 90.5 | Very high | 87.1 | Confident | 130 Ų | 130 | 62 Ų | 62 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 172.2 | -76.1 | 174.6 | 179.1 | 171.1 | 2.1 | 110.9 | T74 E75 C80 L81 T82 E106 | T74-R78 WeakPolarHBondContact O-CB 3.42Å; T74-R78 VanDerWaalsContact O-CG 3.25Å; T74-R78 WeakPolarHBondContact O-CG 3.23Å; T74-R78 PolarHBondContact O-N 3.41Å; E75-R78 PolarHBondContact O-N 2.91Å; R78-C80 VanDerWaalsContact C-N 3.31Å; R78-C80 PolarHBondContact O-N 3.21Å; R78-L81 PolarHBondContact O-N 2.97Å; R78-T82 WeakPolarHBondContact O-CG2 3.49Å; R78-T82 PolarHBondContact O-N 2.9Å; R78-E106 IonicContact NH2-OE1 3.1Å; R78-E106 PolarHBondContact NH2-OE1 3.24Å; R78-E106 VanDerWaalsContact NH2-OE1 3.17Å |
| 79 | E | 86.5 | Confident | 87.3 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 170.7 | -73.6 | -167.6 | -177.4 | 0 | 0 | 112.1 | F57 E75 E76 L77 L81 T82 | F57-E79 HydrophobicContact CD1-CB 4.34Å; F57-E79 HydrophobicContact CE1-CB 4.31Å; F57-E79 VanDerWaalsContact CE1-OE2 3.24Å; F57-E79 WeakPolarHBondContact CE1-OE2 3.4Å; E75-E79 PolarHBondContact O-N 3.49Å; E76-E79 PolarHBondContact O-N 2.96Å; L77-E79 VanDerWaalsContact C-N 3.34Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.24Å; E79-T82 PolarHBondContact O-N 2.88Å; E79-T82 PolarHBondContact O-OG1 3.41Å |
| 80 | C | 86.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -43 | 173 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | F57 E76 L77 R78 T82 K83 D84 | F57-C80 HydrophobicContact CB-CB 4.21Å; E76-C80 PolarHBondContact O-N 2.96Å; L77-C80 VanDerWaalsContact O-CB 3.29Å; L77-C80 WeakPolarHBondContact O-CB 3.32Å; L77-C80 PolarHBondContact O-N 2.9Å; R78-C80 VanDerWaalsContact C-N 3.31Å; R78-C80 PolarHBondContact O-N 3.21Å; C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.4Å; C80-K83 PolarHBondContact O-N 3.44Å; C80-K83 VanDerWaalsContact O-N 3.14Å; C80-D84 PolarHBondContact O-N 3.26Å |
| 81 | L | 86.7 | Confident | 87.5 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -28.1 | 176.4 | -69.3 | 176.8 | 0 | 0 | 0 | 113.7 | L77 R78 E79 K83 D84 A85 V90 Y91 L94 | L77-L81 PolarHBondContact O-N 3.39Å; R78-L81 PolarHBondContact O-N 2.97Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.24Å; L81-K83 PolarHBondContact O-N 3.45Å; L81-D84 CarbonylContact O-C 3.59Å; L81-A85 WeakPolarHBondContact O-CA 3.37Å; L81-A85 PolarHBondContact O-N 3.35Å; L81-V90 HydrophobicContact CD1-CG1 4.27Å; L81-V90 HydrophobicContact CD2-CB 4.03Å; L81-V90 HydrophobicContact CD2-CG1 3.73Å; L81-V90 HydrophobicContact CG-CG1 3.69Å; L81-Y91 HydrophobicContact CD1-CD1 4.35Å; L81-Y91 HydrophobicContact CD1-CE1 3.82Å; L81-Y91 HydrophobicContact CD1-CE2 4.46Å; L81-Y91 HydrophobicContact CD2-CD2 4.08Å; L81-Y91 HydrophobicContact CD2-CE1 4.43Å; L81-Y91 HydrophobicContact CD2-CE2 3.6Å; L81-L94 HydrophobicContact CD1-CD1 3.54Å |
| 82 | T | 87.5 | Confident | 87.5 | Confident | 113 Ų | 113 | 50.5 Ų | 50.5 | 69% | 0.693 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.1 | -22.5 | 173.1 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | R78 E79 C80 | R78-T82 WeakPolarHBondContact O-CG2 3.49Å; R78-T82 PolarHBondContact O-N 2.9Å; E79-T82 PolarHBondContact O-N 2.88Å; E79-T82 PolarHBondContact O-OG1 3.41Å; C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.4Å |
| 83 | K | 83.8 | Confident | 87.5 | Confident | 98 Ų | 98 | 46 Ų | 46 | 43% | 0.426 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -98.8 | -34.3 | -179.3 | -66.8 | 174.6 | -176.3 | 169.1 | 0 | 112.6 | P51 L54 F57 C80 L81 | P51-K83 PolarHBondContact O-NZ 3.17Å; L54-K83 HydrophobicContact CD2-CB 3.54Å; L54-K83 HydrophobicContact CD2-CD 4.07Å; L54-K83 HydrophobicContact CD2-CG 4.44Å; F57-K83 HydrophobicContact CE2-CD 4.44Å; C80-K83 PolarHBondContact O-N 3.44Å; C80-K83 VanDerWaalsContact O-N 3.14Å; L81-K83 PolarHBondContact O-N 3.45Å |
| 84 | D | 84.5 | Confident | 87.6 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | trans | -140.2 | 91.2 | 178.7 | -178.3 | 14.6 | 0 | 0 | 0 | 109.9 | L54 C80 L81 E86 N87 | L54-D84 HydrophobicContact CD1-CB 3.66Å; L54-D84 HydrophobicContact CD2-CB 4.28Å; C80-D84 PolarHBondContact O-N 3.26Å; L81-D84 CarbonylContact O-C 3.59Å; D84-E86 VanDerWaalsContact C-N 3.28Å; D84-E86 PolarHBondContact O-N 3.38Å; D84-N87 WeakPolarHBondContact OD2-CB 3.45Å; D84-N87 PolarHBondContact OD2-ND2 3.32Å; D84-N87 VanDerWaalsContact OD2-ND2 3.09Å | ||
| 85 | A | 85.3 | Confident | 87.6 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 44% | 0.438 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -16.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L81 Y91 | L81-A85 WeakPolarHBondContact O-CA 3.37Å; L81-A85 PolarHBondContact O-N 3.35Å; A85-Y91 WeakPolarHBondContact O-CE2 3.34Å |
| 86 | E | 84.7 | Confident | 87.6 | Confident | 150 Ų | 150 | 40.7 Ų | 40.7 | 70% | 0.701 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 3 | -174.6 | -62.7 | -179.4 | 178.5 | 0 | 0 | 112.5 | D84 S88 Y117 | D84-E86 VanDerWaalsContact C-N 3.28Å; D84-E86 PolarHBondContact O-N 3.38Å; E86-S88 PolarHBondContact O-N 2.93Å; E86-Y117 HydrophobicContact CB-CD1 4.43Å; E86-Y117 HydrophobicContact CG-CD1 4.33Å |
| 87 | N | 84.7 | Confident | 87.7 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 10% | 0.096 | 20% | 0.202 | C | C | . | . | trans | -77.5 | 96.5 | -170.7 | -158.9 | -40 | 0 | 0 | 0 | 113.3 | D84 S89 V90 Y91 | D84-N87 WeakPolarHBondContact OD2-CB 3.45Å; D84-N87 PolarHBondContact OD2-ND2 3.32Å; D84-N87 VanDerWaalsContact OD2-ND2 3.09Å; N87-S89 VanDerWaalsContact C-N 3.27Å; N87-S89 PolarHBondContact O-N 3.48Å; N87-S89 PolarHBondContact OD1-N 2.88Å; N87-S89 PolarHBondContact OD1-OG 2.9Å; N87-V90 HydrophobicContact CB-CB 4.32Å; N87-V90 HydrophobicContact CB-CG2 3.97Å; N87-V90 PolarHBondContact O-N 3.35Å; N87-Y91 WeakPolarHBondContact O-CD2 3.36Å; N87-Y91 PolarHBondContact O-N 3.39Å | ||
| 88 | S | 86.2 | Confident | 87.8 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -33 | -179.3 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | E86 V90 Y91 L92 | E86-S88 PolarHBondContact O-N 2.93Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 2.98Å; S88-Y91 PolarHBondContact O-N 3.39Å; S88-L92 WeakPolarHBondContact O-CG 3.5Å; S88-L92 PolarHBondContact O-N 2.94Å |
| 89 | S | 83.7 | Confident | 87.9 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -34.2 | -180 | 74 | 0 | 0 | 0 | 0 | 113 | N87 L92 L93 F168 | N87-S89 VanDerWaalsContact C-N 3.27Å; N87-S89 PolarHBondContact O-N 3.48Å; N87-S89 PolarHBondContact OD1-N 2.88Å; N87-S89 PolarHBondContact OD1-OG 2.9Å; S89-L92 PolarHBondContact O-N 3.49Å; S89-L93 PolarHBondContact O-N 3.23Å; S89-L93 VanDerWaalsContact O-N 3.14Å; S89-F168 WeakPolarHBondContact OG-CB 3.19Å |
| 90 | V | 88.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.5 | -42.5 | 176.5 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | F58 L77 L81 N87 S88 L92 L93 L94 | F58-V90 HydrophobicContact CD2-CG2 4.38Å; L77-V90 HydrophobicContact CB-CG1 4.04Å; L77-V90 HydrophobicContact CD2-CG1 4.02Å; L81-V90 HydrophobicContact CD1-CG1 4.27Å; L81-V90 HydrophobicContact CD2-CB 4.03Å; L81-V90 HydrophobicContact CD2-CG1 3.73Å; L81-V90 HydrophobicContact CG-CG1 3.69Å; N87-V90 HydrophobicContact CB-CB 4.32Å; N87-V90 HydrophobicContact CB-CG2 3.97Å; N87-V90 PolarHBondContact O-N 3.35Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 2.98Å; V90-L92 PolarHBondContact O-N 3.14Å; V90-L93 PolarHBondContact O-N 3.49Å; V90-L94 HydrophobicContact CG1-CD1 4.22Å; V90-L94 WeakPolarHBondContact O-CG 3.4Å; V90-L94 PolarHBondContact O-N 3.3Å |
| 91 | Y | 91.5 | Very high | 88.1 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 13% | 0.125 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | 174.2 | -75.2 | -73.1 | 0 | 0 | 0 | 112.8 | L81 A85 N87 S88 L93 L94 A95 A113 Y117 | L81-Y91 HydrophobicContact CD1-CD1 4.35Å; L81-Y91 HydrophobicContact CD1-CE1 3.82Å; L81-Y91 HydrophobicContact CD1-CE2 4.46Å; L81-Y91 HydrophobicContact CD2-CD2 4.08Å; L81-Y91 HydrophobicContact CD2-CE1 4.43Å; L81-Y91 HydrophobicContact CD2-CE2 3.6Å; A85-Y91 WeakPolarHBondContact O-CE2 3.34Å; N87-Y91 WeakPolarHBondContact O-CD2 3.36Å; N87-Y91 PolarHBondContact O-N 3.39Å; S88-Y91 PolarHBondContact O-N 3.39Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 2.92Å; Y91-L94 PolarHBondContact O-N 2.97Å; Y91-A95 WeakPolarHBondContact O-CB 3.28Å; Y91-A95 PolarHBondContact O-N 3.34Å; Y91-A113 HydrophobicContact CD1-CB 3.94Å; Y91-A113 HydrophobicContact CE1-CB 4Å; Y91-A113 HydrophobicContact CG-CB 4.47Å; Y91-Y117 AromaticContact CD2-CD2 3.91Å; Y91-Y117 HydrophobicContact CD2-CD2 3.91Å; Y91-Y117 HydrophobicContact CD2-CE2 4.2Å; Y91-Y117 HydrophobicContact CE1-CE2 4.47Å; Y91-Y117 AromaticContact CE2-CD2 3.49Å; Y91-Y117 HydrophobicContact CE2-CD2 3.49Å; Y91-Y117 VanDerWaalsContact CE2-CD2 3.49Å; Y91-Y117 AromaticContact CE2-CE2 3.39Å; Y91-Y117 HydrophobicContact CE2-CE2 3.39Å; Y91-Y117 AromaticContact CZ-CE2 3.56Å |
| 92 | L | 89.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 173.9 | -72.8 | 174.5 | 0 | 0 | 0 | 112.2 | S88 S89 V90 A95 E96 L111 A114 V121 Q124 Y127 I130 | S88-L92 WeakPolarHBondContact O-CG 3.5Å; S88-L92 PolarHBondContact O-N 2.94Å; S89-L92 PolarHBondContact O-N 3.49Å; V90-L92 PolarHBondContact O-N 3.14Å; L92-A95 PolarHBondContact O-N 2.93Å; L92-E96 PolarHBondContact O-N 3.34Å; L92-E96 VanDerWaalsContact O-N 3.15Å; L92-L111 HydrophobicContact CD2-CD1 4.19Å; L92-A114 HydrophobicContact CD2-CB 4.21Å; L92-A114 HydrophobicContact CG-CB 4.25Å; L92-V121 HydrophobicContact CD1-CG1 3.95Å; L92-V121 HydrophobicContact CD2-CG1 3.77Å; L92-V121 HydrophobicContact CG-CG1 4.15Å; L92-Q124 VanDerWaalsContact CD1-OE1 3.3Å; L92-Y127 HydrophobicContact CD2-CD2 4.27Å; L92-I130 HydrophobicContact CB-CD1 4.3Å; L92-I130 HydrophobicContact CD2-CD1 4.21Å; L92-I130 VanDerWaalsContact O-CD1 3.3Å; L92-I130 WeakPolarHBondContact O-CD1 3.31Å |
| 93 | L | 88.3 | Confident | 88.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -39.4 | 177.1 | -170.6 | 61 | 0 | 0 | 0 | 111.9 | F58 I65 L77 S89 V90 Y91 E96 I97 Y170 | F58-L93 HydrophobicContact CD2-CD2 4.09Å; F58-L93 HydrophobicContact CE2-CB 4.33Å; F58-L93 HydrophobicContact CE2-CD2 3.58Å; F58-L93 HydrophobicContact CZ-CD2 4.01Å; I65-L93 HydrophobicContact CD1-CD1 3.77Å; I65-L93 HydrophobicContact CD1-CD2 4.19Å; I65-L93 HydrophobicContact CD1-CG 4.1Å; L77-L93 HydrophobicContact CD1-CB 4.22Å; L77-L93 HydrophobicContact CD1-CD2 3.77Å; L77-L93 HydrophobicContact CD1-CG 3.85Å; L77-L93 HydrophobicContact CD2-CD2 3.87Å; L77-L93 HydrophobicContact CG-CD2 4.45Å; S89-L93 PolarHBondContact O-N 3.23Å; S89-L93 VanDerWaalsContact O-N 3.14Å; V90-L93 PolarHBondContact O-N 3.49Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 2.92Å; L93-E96 WeakPolarHBondContact O-CB 3.45Å; L93-E96 PolarHBondContact O-N 2.74Å; L93-I97 HydrophobicContact CG-CD1 4.38Å; L93-I97 WeakPolarHBondContact O-CG1 3.49Å; L93-I97 PolarHBondContact O-N 2.88Å; L93-Y170 HydrophobicContact CD1-CE1 3.98Å; L93-Y170 WeakPolarHBondContact CD1-OH 3.38Å |
| 94 | L | 91.8 | Very high | 88.7 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 173 | -78.1 | 170.8 | 0 | 0 | 0 | 111.7 | T74 L77 L81 V90 Y91 E96 I97 S98 | T74-L94 HydrophobicContact CG2-CD2 4.48Å; L77-L94 HydrophobicContact CB-CD1 4.39Å; L77-L94 HydrophobicContact CB-CD2 3.75Å; L77-L94 HydrophobicContact CB-CG 3.99Å; L77-L94 HydrophobicContact CD1-CD2 3.87Å; L77-L94 HydrophobicContact CD1-CG 4.03Å; L77-L94 HydrophobicContact CG-CD2 4.49Å; L81-L94 HydrophobicContact CD1-CD1 3.54Å; V90-L94 HydrophobicContact CG1-CD1 4.22Å; V90-L94 WeakPolarHBondContact O-CG 3.4Å; V90-L94 PolarHBondContact O-N 3.3Å; Y91-L94 PolarHBondContact O-N 2.97Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.46Å; L94-I97 PolarHBondContact O-N 3.46Å; L94-I97 VanDerWaalsContact O-N 3.15Å; L94-S98 PolarHBondContact O-N 3.3Å; L94-S98 PolarHBondContact O-OG 3.29Å |
| 95 | A | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y91 L92 L99 T110 L111 I130 | Y91-A95 WeakPolarHBondContact O-CB 3.28Å; Y91-A95 PolarHBondContact O-N 3.34Å; L92-A95 PolarHBondContact O-N 2.93Å; A95-L99 WeakPolarHBondContact O-CG 3.36Å; A95-L99 PolarHBondContact O-N 3.07Å; A95-T110 WeakPolarHBondContact CA-OG1 3.35Å; A95-T110 WeakPolarHBondContact CB-OG1 3.47Å; A95-L111 HydrophobicContact CB-CB 4.28Å; A95-L111 HydrophobicContact CB-CD1 4.24Å; A95-I130 HydrophobicContact CB-CG2 4.12Å |
| 96 | E | 90 | Very high | 89.4 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 174.5 | -171.1 | -179.8 | 171.3 | 0 | 0 | 112.5 | L92 L93 L94 L99 R100 I130 | L92-E96 PolarHBondContact O-N 3.34Å; L92-E96 VanDerWaalsContact O-N 3.15Å; L93-E96 WeakPolarHBondContact O-CB 3.45Å; L93-E96 PolarHBondContact O-N 2.74Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.46Å; E96-L99 WeakPolarHBondContact O-CB 3.25Å; E96-L99 PolarHBondContact O-N 3.08Å; E96-R100 PolarHBondContact O-N 3.29Å; E96-R100 VanDerWaalsContact O-N 3.16Å; E96-R100 IonicContact OE1-CZ 2.76Å; E96-R100 IonicContact OE1-NE 3.28Å; E96-R100 IonicContact OE1-NH2 2.72Å; E96-R100 PolarHBondContact OE1-NH2 3.04Å; E96-R100 VanDerWaalsContact OE1-NH2 3.1Å; E96-I130 HydrophobicContact CB-CD1 4.37Å |
| 97 | I | 90.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -46.3 | 177.1 | -64.6 | 164 | 0 | 0 | 0 | 111 | I65 L70 A73 T74 L77 L93 L94 L99 R100 Q101 | I65-I97 HydrophobicContact CD1-CD1 3.86Å; I65-I97 HydrophobicContact CD1-CG1 3.9Å; I65-I97 HydrophobicContact CG1-CD1 4.17Å; I65-I97 HydrophobicContact CG1-CG1 4.13Å; L70-I97 HydrophobicContact CB-CG2 4.08Å; L70-I97 HydrophobicContact CD2-CG2 4.34Å; A73-I97 HydrophobicContact CB-CD1 3.98Å; T74-I97 HydrophobicContact CG2-CB 4.42Å; T74-I97 HydrophobicContact CG2-CG2 3.52Å; L77-I97 HydrophobicContact CD1-CD1 3.4Å; L77-I97 VanDerWaalsContact CD1-CD1 3.4Å; L93-I97 HydrophobicContact CG-CD1 4.38Å; L93-I97 WeakPolarHBondContact O-CG1 3.49Å; L93-I97 PolarHBondContact O-N 2.88Å; L94-I97 PolarHBondContact O-N 3.46Å; L94-I97 VanDerWaalsContact O-N 3.15Å; I97-L99 PolarHBondContact O-N 3.23Å; I97-R100 WeakPolarHBondContact O-CA 3.44Å; I97-R100 WeakPolarHBondContact O-CB 3.44Å; I97-R100 PolarHBondContact O-N 3.44Å; I97-Q101 HydrophobicContact CG2-CG 4.39Å; I97-Q101 PolarHBondContact O-N 3.2Å |
| 98 | S | 92.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -34.8 | 177.2 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | L94 Q101 G102 N103 | L94-S98 PolarHBondContact O-N 3.3Å; L94-S98 PolarHBondContact O-OG 3.29Å; S98-Q101 PolarHBondContact O-N 2.93Å; S98-G102 PolarHBondContact O-N 3.42Å; S98-N103 PolarHBondContact O-N 2.91Å |
| 99 | L | 90.9 | Very high | 90.4 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 170.5 | -78.9 | 178.2 | 0 | 0 | 0 | 112.5 | A95 E96 I97 G102 F104 A107 I130 R133 L134 | A95-L99 WeakPolarHBondContact O-CG 3.36Å; A95-L99 PolarHBondContact O-N 3.07Å; E96-L99 WeakPolarHBondContact O-CB 3.25Å; E96-L99 PolarHBondContact O-N 3.08Å; I97-L99 PolarHBondContact O-N 3.23Å; L99-G102 PolarHBondContact O-N 3.32Å; L99-F104 HydrophobicContact CD2-CD1 4.25Å; L99-A107 HydrophobicContact CD2-CB 3.76Å; L99-A107 HydrophobicContact CG-CB 3.75Å; L99-I130 HydrophobicContact CD1-CG2 3.66Å; L99-R133 HydrophobicContact CD1-CB 4.11Å; L99-L134 HydrophobicContact CD1-CB 4.43Å; L99-L134 HydrophobicContact CD2-CB 3.92Å; L99-L134 HydrophobicContact CD2-CD1 3.47Å; L99-L134 VanDerWaalsContact CD2-CD1 3.47Å; L99-L134 HydrophobicContact CD2-CG 4.29Å |
| 100 | R | 87.3 | Confident | 90.8 | Very high | 131 Ų | 131 | 40.5 Ų | 40.5 | 49% | 0.494 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.1 | -33.4 | 178.2 | -69 | -170.9 | -169 | -160.5 | 7 | 113 | L70 E96 I97 G102 | L70-R100 HydrophobicContact CD1-CB 3.85Å; E96-R100 PolarHBondContact O-N 3.29Å; E96-R100 VanDerWaalsContact O-N 3.16Å; E96-R100 IonicContact OE1-CZ 2.76Å; E96-R100 IonicContact OE1-NE 3.28Å; E96-R100 IonicContact OE1-NH2 2.72Å; E96-R100 PolarHBondContact OE1-NH2 3.04Å; E96-R100 VanDerWaalsContact OE1-NH2 3.1Å; I97-R100 WeakPolarHBondContact O-CA 3.44Å; I97-R100 WeakPolarHBondContact O-CB 3.44Å; I97-R100 PolarHBondContact O-N 3.44Å; R100-G102 PolarHBondContact O-N 3.45Å |
| 101 | Q | 89.7 | Confident | 91 | Very high | 59 Ų | 59 | 41 Ų | 41 | 28% | 0.276 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.1 | -12.8 | 174.5 | -71 | 174.1 | -32.1 | 0 | 0 | 113.1 | L70 D71 I97 S98 | L70-Q101 HydrophobicContact CB-CG 4.05Å; L70-Q101 HydrophobicContact CD1-CG 3.74Å; D71-Q101 PolarHBondContact OD1-NE2 3.32Å; D71-Q101 VanDerWaalsContact OD1-NE2 3.14Å; I97-Q101 HydrophobicContact CG2-CG 4.39Å; I97-Q101 PolarHBondContact O-N 3.2Å; S98-Q101 PolarHBondContact O-N 2.93Å |
| 102 | G | 89.3 | Confident | 91 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 34% | 0.34 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 8.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S98 L99 R100 F104 | S98-G102 PolarHBondContact O-N 3.42Å; L99-G102 PolarHBondContact O-N 3.32Å; R100-G102 PolarHBondContact O-N 3.45Å; G102-F104 WeakPolarHBondContact O-CD2 3.16Å; G102-F104 PolarHBondContact O-N 3.12Å; G102-F104 VanDerWaalsContact O-N 3.1Å |
| 103 | N | 91.3 | Very high | 91 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | trans | -85.4 | 73.5 | 178.6 | -71.3 | -9.5 | 0 | 0 | 0 | 111 | S98 N105 E106 A107 | S98-N103 PolarHBondContact O-N 2.91Å; N103-N105 VanDerWaalsContact C-N 3.32Å; N103-N105 PolarHBondContact O-N 3.47Å; N103-E106 HydrophobicContact CB-CB 4.04Å; N103-E106 PolarHBondContact ND2-OE2 3.45Å; N103-E106 PolarHBondContact O-N 3.26Å; N103-A107 PolarHBondContact O-N 3.15Å | ||
| 104 | F | 91.5 | Very high | 91.1 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 33% | 0.329 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -35.2 | -173.3 | -49.6 | -55.6 | 0 | 0 | 0 | 114.2 | L99 G102 A107 K108 L134 A137 L138 | L99-F104 HydrophobicContact CD2-CD1 4.25Å; G102-F104 WeakPolarHBondContact O-CD2 3.16Å; G102-F104 PolarHBondContact O-N 3.12Å; G102-F104 VanDerWaalsContact O-N 3.1Å; F104-A107 PolarHBondContact O-N 3.34Å; F104-K108 WeakPolarHBondContact O-CB 3.42Å; F104-K108 PolarHBondContact O-N 3.37Å; F104-L134 HydrophobicContact CB-CD1 4.22Å; F104-A137 HydrophobicContact CD1-CB 3.86Å; F104-A137 HydrophobicContact CE1-CB 3.48Å; F104-A137 VanDerWaalsContact CE1-CB 3.48Å; F104-A137 HydrophobicContact CZ-CB 4.1Å; F104-L138 HydrophobicContact CB-CD2 4.1Å; F104-L138 HydrophobicContact CG-CD2 4.47Å |
| 105 | N | 91.6 | Very high | 90.9 | Very high | 140 Ų | 140 | 45.8 Ų | 45.8 | 75% | 0.749 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68 | -40.2 | 178.6 | -68.1 | -24.9 | 0 | 0 | 0 | 112 | N103 K108 S109 | N103-N105 VanDerWaalsContact C-N 3.32Å; N103-N105 PolarHBondContact O-N 3.47Å; N105-K108 PolarHBondContact O-N 3.14Å; N105-S109 PolarHBondContact O-N 3.19Å; N105-S109 PolarHBondContact O-OG 2.87Å |
| 106 | E | 91.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 176.7 | -169 | 179.2 | -169.7 | 0 | 0 | 110.8 | R78 N103 K108 S109 T110 | R78-E106 IonicContact NH2-OE1 3.1Å; R78-E106 PolarHBondContact NH2-OE1 3.24Å; R78-E106 VanDerWaalsContact NH2-OE1 3.17Å; N103-E106 HydrophobicContact CB-CB 4.04Å; N103-E106 PolarHBondContact ND2-OE2 3.45Å; N103-E106 PolarHBondContact O-N 3.26Å; E106-K108 VanDerWaalsContact C-N 3.27Å; E106-K108 PolarHBondContact O-N 3.07Å; E106-S109 PolarHBondContact O-N 3.26Å; E106-S109 PolarHBondContact O-OG 3.35Å; E106-T110 HydrophobicContact CG-CG2 4.34Å; E106-T110 WeakPolarHBondContact O-CB 3.41Å; E106-T110 VanDerWaalsContact O-CG2 3.28Å; E106-T110 WeakPolarHBondContact O-CG2 3.45Å; E106-T110 PolarHBondContact O-N 2.93Å; E106-T110 PolarHBondContact O-OG1 3.44Å |
| 107 | A | 92.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -39.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L99 N103 F104 T110 L111 L134 | L99-A107 HydrophobicContact CD2-CB 3.76Å; L99-A107 HydrophobicContact CG-CB 3.75Å; N103-A107 PolarHBondContact O-N 3.15Å; F104-A107 PolarHBondContact O-N 3.34Å; A107-T110 WeakPolarHBondContact CA-OG1 3.47Å; A107-T110 PolarHBondContact O-OG1 3.48Å; A107-L111 VanDerWaalsContact O-CB 3.22Å; A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 PolarHBondContact O-N 2.99Å; A107-L111 VanDerWaalsContact O-N 3.07Å; A107-L134 HydrophobicContact CB-CD1 3.99Å |
| 108 | K | 92.1 | Very high | 90.3 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.4 | -48.4 | 176.3 | -171.4 | 177.4 | 176.6 | 179.5 | 0 | 112 | F104 N105 E106 L111 E112 L134 | F104-K108 WeakPolarHBondContact O-CB 3.42Å; F104-K108 PolarHBondContact O-N 3.37Å; N105-K108 PolarHBondContact O-N 3.14Å; E106-K108 VanDerWaalsContact C-N 3.27Å; E106-K108 PolarHBondContact O-N 3.07Å; K108-L111 PolarHBondContact O-N 3.31Å; K108-E112 WeakPolarHBondContact CE-OE1 3.49Å; K108-E112 WeakPolarHBondContact O-CG 3.29Å; K108-E112 PolarHBondContact O-N 2.66Å; K108-L134 HydrophobicContact CB-CD2 3.98Å; K108-L134 HydrophobicContact CG-CD2 4.25Å |
| 109 | S | 93.1 | Very high | 89.9 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | -178.7 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | N105 E106 E112 A113 | N105-S109 PolarHBondContact O-N 3.19Å; N105-S109 PolarHBondContact O-OG 2.87Å; E106-S109 PolarHBondContact O-N 3.26Å; E106-S109 PolarHBondContact O-OG 3.35Å; S109-E112 PolarHBondContact O-N 3.23Å; S109-A113 WeakPolarHBondContact O-CB 3.47Å; S109-A113 PolarHBondContact O-N 3.24Å |
| 110 | T | 92.6 | Very high | 89.4 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 175.7 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | A95 E106 A107 A113 A114 | A95-T110 WeakPolarHBondContact CA-OG1 3.35Å; A95-T110 WeakPolarHBondContact CB-OG1 3.47Å; E106-T110 HydrophobicContact CG-CG2 4.34Å; E106-T110 WeakPolarHBondContact O-CB 3.41Å; E106-T110 VanDerWaalsContact O-CG2 3.28Å; E106-T110 WeakPolarHBondContact O-CG2 3.45Å; E106-T110 PolarHBondContact O-N 2.93Å; E106-T110 PolarHBondContact O-OG1 3.44Å; A107-T110 WeakPolarHBondContact CA-OG1 3.47Å; A107-T110 PolarHBondContact O-OG1 3.48Å; T110-A113 WeakPolarHBondContact O-CB 3.31Å; T110-A113 PolarHBondContact O-N 3.21Å; T110-A114 PolarHBondContact O-N 3.11Å |
| 111 | L | 92 | Very high | 89.1 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 173.5 | -167.5 | 86.4 | 0 | 0 | 0 | 111.9 | L92 A95 A107 K108 A113 A114 V115 Y127 I130 R131 | L92-L111 HydrophobicContact CD2-CD1 4.19Å; A95-L111 HydrophobicContact CB-CB 4.28Å; A95-L111 HydrophobicContact CB-CD1 4.24Å; A107-L111 VanDerWaalsContact O-CB 3.22Å; A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 PolarHBondContact O-N 2.99Å; A107-L111 VanDerWaalsContact O-N 3.07Å; K108-L111 PolarHBondContact O-N 3.31Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-A114 WeakPolarHBondContact O-CB 3.4Å; L111-A114 PolarHBondContact O-N 2.93Å; L111-V115 WeakPolarHBondContact O-CG2 3.3Å; L111-V115 PolarHBondContact O-N 3.07Å; L111-Y127 HydrophobicContact CD1-CD2 3.83Å; L111-Y127 HydrophobicContact CD1-CE2 4Å; L111-Y127 HydrophobicContact CD2-CD2 4.42Å; L111-Y127 HydrophobicContact CD2-CE2 3.81Å; L111-Y127 HydrophobicContact CG-CD2 4.09Å; L111-Y127 HydrophobicContact CG-CE2 3.72Å; L111-I130 HydrophobicContact CD1-CB 4.13Å; L111-I130 HydrophobicContact CD1-CG2 3.66Å; L111-R131 HydrophobicContact CD2-CB 4.2Å; L111-R131 HydrophobicContact CD2-CG 4.18Å |
| 112 | E | 90.9 | Very high | 88.7 | Confident | 114 Ų | 114 | 63.2 Ų | 63.2 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 174.3 | -73.4 | 171.7 | -176.9 | 0 | 0 | 111.4 | K108 S109 V115 S116 | K108-E112 WeakPolarHBondContact CE-OE1 3.49Å; K108-E112 WeakPolarHBondContact O-CG 3.29Å; K108-E112 PolarHBondContact O-N 2.66Å; S109-E112 PolarHBondContact O-N 3.23Å; E112-V115 PolarHBondContact O-N 3.44Å; E112-S116 PolarHBondContact O-N 3.49Å |
| 113 | A | 91.2 | Very high | 88.3 | Confident | 23 Ų | 23 | 67 Ų | 67 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y91 S109 T110 L111 V115 S116 Y117 | Y91-A113 HydrophobicContact CD1-CB 3.94Å; Y91-A113 HydrophobicContact CE1-CB 4Å; Y91-A113 HydrophobicContact CG-CB 4.47Å; S109-A113 WeakPolarHBondContact O-CB 3.47Å; S109-A113 PolarHBondContact O-N 3.24Å; T110-A113 WeakPolarHBondContact O-CB 3.31Å; T110-A113 PolarHBondContact O-N 3.21Å; L111-A113 VanDerWaalsContact C-N 3.33Å; A113-V115 PolarHBondContact O-N 3.29Å; A113-S116 WeakPolarHBondContact O-CB 3.42Å; A113-S116 PolarHBondContact O-N 2.99Å; A113-S116 PolarHBondContact O-OG 3.03Å; A113-Y117 HydrophobicContact CB-CE2 4.42Å; A113-Y117 WeakPolarHBondContact O-CD2 3.02Å; A113-Y117 PolarHBondContact O-N 2.79Å |
| 114 | A | 89 | Confident | 87.8 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L92 T110 L111 S116 D118 | L92-A114 HydrophobicContact CD2-CB 4.21Å; L92-A114 HydrophobicContact CG-CB 4.25Å; T110-A114 PolarHBondContact O-N 3.11Å; L111-A114 WeakPolarHBondContact O-CB 3.4Å; L111-A114 PolarHBondContact O-N 2.93Å; A114-S116 VanDerWaalsContact C-N 3.34Å; A114-D118 PolarHBondContact O-N 3.29Å |
| 115 | V | 89.2 | Confident | 87.4 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70 | -29.5 | 178.4 | 170.4 | 0 | 0 | 0 | 0 | 112.7 | L111 E112 A113 R122 Y127 | L111-V115 WeakPolarHBondContact O-CG2 3.3Å; L111-V115 PolarHBondContact O-N 3.07Å; E112-V115 PolarHBondContact O-N 3.44Å; A113-V115 PolarHBondContact O-N 3.29Å; V115-R122 HydrophobicContact CG1-CG 4.1Å; V115-R122 VanDerWaalsContact CG1-NH2 3.28Å; V115-R122 HydrophobicContact CG2-CG 4.21Å; V115-Y127 HydrophobicContact CG2-CD2 4.09Å; V115-Y127 HydrophobicContact CG2-CE2 3.39Å |
| 116 | S | 88.7 | Confident | 87.1 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.3 | -31.5 | 179.4 | 75.7 | 0 | 0 | 0 | 0 | 113 | E112 A113 A114 | E112-S116 PolarHBondContact O-N 3.49Å; A113-S116 WeakPolarHBondContact O-CB 3.42Å; A113-S116 PolarHBondContact O-N 2.99Å; A113-S116 PolarHBondContact O-OG 3.03Å; A114-S116 VanDerWaalsContact C-N 3.34Å |
| 117 | Y | 86.1 | Confident | 87 | Confident | 111 Ų | 111 | 55.9 Ų | 55.9 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -83.2 | -38.5 | 178 | -68.7 | -69.5 | 0 | 0 | 0 | 112.7 | E86 Y91 A113 | E86-Y117 HydrophobicContact CB-CD1 4.43Å; E86-Y117 HydrophobicContact CG-CD1 4.33Å; Y91-Y117 AromaticContact CD2-CD2 3.91Å; Y91-Y117 HydrophobicContact CD2-CD2 3.91Å; Y91-Y117 HydrophobicContact CD2-CE2 4.2Å; Y91-Y117 HydrophobicContact CE1-CE2 4.47Å; Y91-Y117 AromaticContact CE2-CD2 3.49Å; Y91-Y117 HydrophobicContact CE2-CD2 3.49Å; Y91-Y117 VanDerWaalsContact CE2-CD2 3.49Å; Y91-Y117 AromaticContact CE2-CE2 3.39Å; Y91-Y117 HydrophobicContact CE2-CE2 3.39Å; Y91-Y117 AromaticContact CZ-CE2 3.56Å; A113-Y117 HydrophobicContact CB-CE2 4.42Å; A113-Y117 WeakPolarHBondContact O-CD2 3.02Å; A113-Y117 PolarHBondContact O-N 2.79Å |
| 118 | D | 84.2 | Confident | 86.8 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | trans | -137.6 | 110.1 | 176.7 | 179 | 17.4 | 0 | 0 | 0 | 111.4 | A114 N120 V121 | A114-D118 PolarHBondContact O-N 3.29Å; D118-N120 PolarHBondContact O-N 2.92Å; D118-N120 VanDerWaalsContact OD1-CB 3.23Å; D118-N120 WeakPolarHBondContact OD1-CB 3.22Å; D118-N120 PolarHBondContact OD1-N 3.27Å; D118-N120 PolarHBondContact OD1-ND2 2.93Å; D118-V121 HydrophobicContact CB-CG2 3.85Å; D118-V121 VanDerWaalsContact O-CB 3.3Å; D118-V121 WeakPolarHBondContact O-CB 3.31Å; D118-V121 VanDerWaalsContact O-CG2 3.23Å; D118-V121 WeakPolarHBondContact O-CG2 3.47Å; D118-V121 PolarHBondContact O-N 3.45Å | ||
| 119 | F | 83.7 | Confident | 86.7 | Confident | 139 Ų | 139 | 51.6 Ų | 51.6 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -64.6 | -23.1 | 178.2 | -65.4 | -80 | 0 | 0 | 0 | 112.6 | V121 R122 | F119-V121 PolarHBondContact O-N 2.97Å; F119-R122 PolarHBondContact O-N 3.12Å |
| 120 | N | 81.6 | Confident | 86.5 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 57% | 0.567 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -69.3 | -19.8 | 179.7 | -60 | -55 | 0 | 0 | 0 | 112.7 | D118 R122 H123 | D118-N120 PolarHBondContact O-N 2.92Å; D118-N120 VanDerWaalsContact OD1-CB 3.23Å; D118-N120 WeakPolarHBondContact OD1-CB 3.22Å; D118-N120 PolarHBondContact OD1-N 3.27Å; D118-N120 PolarHBondContact OD1-ND2 2.93Å; N120-R122 PolarHBondContact O-N 2.94Å; N120-R122 VanDerWaalsContact O-N 3.1Å; N120-H123 WeakPolarHBondContact O-CB 3.25Å; N120-H123 PolarHBondContact O-N 3.23Å |
| 121 | V | 81 | Confident | 86.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -53.8 | -31.9 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L92 D118 F119 H123 Q124 Y127 | L92-V121 HydrophobicContact CD1-CG1 3.95Å; L92-V121 HydrophobicContact CD2-CG1 3.77Å; L92-V121 HydrophobicContact CG-CG1 4.15Å; D118-V121 HydrophobicContact CB-CG2 3.85Å; D118-V121 VanDerWaalsContact O-CB 3.3Å; D118-V121 WeakPolarHBondContact O-CB 3.31Å; D118-V121 VanDerWaalsContact O-CG2 3.23Å; D118-V121 WeakPolarHBondContact O-CG2 3.47Å; D118-V121 PolarHBondContact O-N 3.45Å; F119-V121 PolarHBondContact O-N 2.97Å; V121-H123 PolarHBondContact O-N 3.42Å; V121-H123 VanDerWaalsContact O-N 3.15Å; V121-Q124 WeakPolarHBondContact O-CB 3.49Å; V121-Q124 PolarHBondContact O-N 3.14Å; V121-Y127 HydrophobicContact CG1-CD2 3.82Å; V121-Y127 HydrophobicContact CG1-CG 4.07Å; V121-Y127 WeakPolarHBondContact O-CB 3.33Å |
| 122 | R | 81 | Confident | 86.4 | Confident | 127 Ų | 127 | 51.2 Ų | 51.2 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -63.5 | -19 | 177.5 | -65.2 | -177.8 | -178.3 | 176.9 | 4 | 113.8 | V115 F119 N120 Y127 H128 | V115-R122 HydrophobicContact CG1-CG 4.1Å; V115-R122 VanDerWaalsContact CG1-NH2 3.28Å; V115-R122 HydrophobicContact CG2-CG 4.21Å; F119-R122 PolarHBondContact O-N 3.12Å; N120-R122 PolarHBondContact O-N 2.94Å; N120-R122 VanDerWaalsContact O-N 3.1Å; R122-Y127 HydrophobicContact CG-CE1 4.45Å; R122-H128 PolarHBondContact O-CE1 3.49Å; R122-H128 PolarHBondContact O-NE2 3.23Å; R122-H128 VanDerWaalsContact O-NE2 3.11Å |
| 123 | H | 80.3 | Confident | 86.4 | Confident | 113 Ų | 113 | 49.3 Ų | 49.3 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -95.5 | -6.9 | 176.9 | -61.1 | -63.6 | 0 | 0 | 0 | 112.6 | N120 V121 C156 | N120-H123 WeakPolarHBondContact O-CB 3.25Å; N120-H123 PolarHBondContact O-N 3.23Å; V121-H123 PolarHBondContact O-N 3.42Å; V121-H123 VanDerWaalsContact O-N 3.15Å; H123-C156 WeakPolarHBondContact O-CB 3.44Å; H123-C156 PolarHBondContact O-SG 3.03Å |
| 124 | Q | 81 | Confident | 86.4 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -80.4 | 133 | -179.9 | -65.4 | -179.7 | -6.2 | 0 | 0 | 111.1 | L92 V121 K126 Y127 | L92-Q124 VanDerWaalsContact CD1-OE1 3.3Å; V121-Q124 WeakPolarHBondContact O-CB 3.49Å; V121-Q124 PolarHBondContact O-N 3.14Å; Q124-K126 PolarHBondContact O-N 3.43Å; Q124-Y127 WeakPolarHBondContact O-CB 3.32Å; Q124-Y127 PolarHBondContact O-N 2.94Å; Q124-Y127 VanDerWaalsContact O-N 3.17Å |
| 125 | P | 83.4 | Confident | 86.6 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -34.2 | 177.1 | -28.2 | 37.2 | 0 | 0 | 0 | 113.7 | Y127 H128 L129 L157 L173 I176 I180 | P125-Y127 VanDerWaalsContact C-N 3.33Å; P125-Y127 PolarHBondContact O-N 3.31Å; P125-H128 PolarHBondContact O-N 3.48Å; P125-L129 PolarHBondContact O-N 3.18Å; P125-L157 HydrophobicContact CG-CD2 4.37Å; P125-L173 HydrophobicContact CG-CD1 3.76Å; P125-I176 HydrophobicContact CB-CG2 3.71Å; P125-I180 HydrophobicContact CB-CD1 3.92Å |
| 126 | K | 84.3 | Confident | 86.6 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 178.3 | -170.7 | 172.5 | -177 | 173.8 | 0 | 112.5 | Q124 L129 I130 I176 | Q124-K126 PolarHBondContact O-N 3.43Å; K126-L129 PolarHBondContact O-N 2.74Å; K126-I130 HydrophobicContact CG-CD1 4.02Å; K126-I130 WeakPolarHBondContact O-CG1 3.45Å; K126-I130 PolarHBondContact O-N 2.92Å; K126-I176 HydrophobicContact CB-CD1 4.4Å |
| 127 | Y | 88.6 | Confident | 86.6 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.4 | 168.2 | -98.4 | 0 | 0 | 0 | 111.5 | L92 L111 V115 V121 R122 Q124 P125 L129 I130 R131 | L92-Y127 HydrophobicContact CD2-CD2 4.27Å; L111-Y127 HydrophobicContact CD1-CD2 3.83Å; L111-Y127 HydrophobicContact CD1-CE2 4Å; L111-Y127 HydrophobicContact CD2-CD2 4.42Å; L111-Y127 HydrophobicContact CD2-CE2 3.81Å; L111-Y127 HydrophobicContact CG-CD2 4.09Å; L111-Y127 HydrophobicContact CG-CE2 3.72Å; V115-Y127 HydrophobicContact CG2-CD2 4.09Å; V115-Y127 HydrophobicContact CG2-CE2 3.39Å; V121-Y127 HydrophobicContact CG1-CD2 3.82Å; V121-Y127 HydrophobicContact CG1-CG 4.07Å; V121-Y127 WeakPolarHBondContact O-CB 3.33Å; R122-Y127 HydrophobicContact CG-CE1 4.45Å; Q124-Y127 WeakPolarHBondContact O-CB 3.32Å; Q124-Y127 PolarHBondContact O-N 2.94Å; Q124-Y127 VanDerWaalsContact O-N 3.17Å; P125-Y127 VanDerWaalsContact C-N 3.33Å; P125-Y127 PolarHBondContact O-N 3.31Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; Y127-L129 PolarHBondContact O-N 2.96Å; Y127-I130 PolarHBondContact O-N 3.37Å; Y127-R131 VanDerWaalsContact O-CB 3.32Å; Y127-R131 WeakPolarHBondContact O-CB 3.41Å; Y127-R131 PolarHBondContact O-N 3.28Å |
| 128 | H | 89.5 | Confident | 86.7 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 177.5 | -66.8 | -60.2 | 0 | 0 | 0 | 112.7 | R122 P125 R131 A132 I147 A151 | R122-H128 PolarHBondContact O-CE1 3.49Å; R122-H128 PolarHBondContact O-NE2 3.23Å; R122-H128 VanDerWaalsContact O-NE2 3.11Å; P125-H128 PolarHBondContact O-N 3.48Å; H128-R131 PolarHBondContact O-N 3.35Å; H128-A132 WeakPolarHBondContact O-CB 3.43Å; H128-A132 PolarHBondContact O-N 3.35Å; H128-I147 HydrophobicContact CB-CG2 4.4Å; H128-I147 WeakPolarHBondContact O-CG2 3.32Å; H128-A151 HydrophobicContact CB-CB 3.67Å |
| 129 | L | 88.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 175.9 | -176.3 | 68.6 | 0 | 0 | 0 | 111.7 | P125 K126 Y127 R131 A132 R133 L148 K179 I180 D183 | P125-L129 PolarHBondContact O-N 3.18Å; K126-L129 PolarHBondContact O-N 2.74Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; Y127-L129 PolarHBondContact O-N 2.96Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 2.84Å; L129-A132 PolarHBondContact O-N 2.85Å; L129-R133 WeakPolarHBondContact O-CG 3.45Å; L129-R133 PolarHBondContact O-N 3.07Å; L129-L148 HydrophobicContact CD1-CD2 4.45Å; L129-K179 HydrophobicContact CD1-CB 4.32Å; L129-K179 HydrophobicContact CD2-CB 4Å; L129-K179 HydrophobicContact CD2-CD 4.09Å; L129-I180 HydrophobicContact CB-CG1 4.26Å; L129-I180 HydrophobicContact CD1-CG1 3.94Å; L129-D183 WeakPolarHBondContact CD1-OD2 3.26Å |
| 130 | I | 89.3 | Confident | 87 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 178.6 | -64.5 | 167.1 | 0 | 0 | 0 | 110.2 | L92 A95 E96 L99 L111 K126 Y127 A132 R133 L134 | L92-I130 HydrophobicContact CB-CD1 4.3Å; L92-I130 HydrophobicContact CD2-CD1 4.21Å; L92-I130 VanDerWaalsContact O-CD1 3.3Å; L92-I130 WeakPolarHBondContact O-CD1 3.31Å; A95-I130 HydrophobicContact CB-CG2 4.12Å; E96-I130 HydrophobicContact CB-CD1 4.37Å; L99-I130 HydrophobicContact CD1-CG2 3.66Å; L111-I130 HydrophobicContact CD1-CB 4.13Å; L111-I130 HydrophobicContact CD1-CG2 3.66Å; K126-I130 HydrophobicContact CG-CD1 4.02Å; K126-I130 WeakPolarHBondContact O-CG1 3.45Å; K126-I130 PolarHBondContact O-N 2.92Å; Y127-I130 PolarHBondContact O-N 3.37Å; I130-A132 PolarHBondContact O-N 3.42Å; I130-R133 PolarHBondContact O-N 3.31Å; I130-L134 WeakPolarHBondContact O-CB 3.4Å; I130-L134 PolarHBondContact O-N 3.32Å |
| 131 | R | 91.3 | Very high | 87.2 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 178.6 | -163.3 | 178.6 | 73.7 | -174.3 | 4.4 | 112.4 | L111 Y127 H128 L129 L134 A135 I147 | L111-R131 HydrophobicContact CD2-CB 4.2Å; L111-R131 HydrophobicContact CD2-CG 4.18Å; Y127-R131 VanDerWaalsContact O-CB 3.32Å; Y127-R131 WeakPolarHBondContact O-CB 3.41Å; Y127-R131 PolarHBondContact O-N 3.28Å; H128-R131 PolarHBondContact O-N 3.35Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 2.84Å; R131-L134 PolarHBondContact O-N 2.93Å; R131-A135 PolarHBondContact O-N 3.39Å; R131-I147 HydrophobicContact CB-CG2 4.47Å; R131-I147 HydrophobicContact CG-CD1 4.1Å |
| 132 | A | 91 | Very high | 87.7 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | H128 L129 I130 L134 A135 A136 A144 I147 L148 | H128-A132 WeakPolarHBondContact O-CB 3.43Å; H128-A132 PolarHBondContact O-N 3.35Å; L129-A132 PolarHBondContact O-N 2.85Å; I130-A132 PolarHBondContact O-N 3.42Å; A132-L134 VanDerWaalsContact C-N 3.35Å; A132-A135 PolarHBondContact O-N 3.29Å; A132-A136 WeakPolarHBondContact O-CB 3.49Å; A132-A136 PolarHBondContact O-N 3.08Å; A132-A144 WeakPolarHBondContact O-CB 3.29Å; A132-I147 HydrophobicContact CB-CB 4.25Å; A132-I147 HydrophobicContact CB-CG2 3.97Å; A132-L148 HydrophobicContact CB-CD1 4.02Å; A132-L148 HydrophobicContact CB-CD2 3.53Å; A132-L148 HydrophobicContact CB-CG 3.49Å; A132-L148 VanDerWaalsContact CB-CG 3.49Å |
| 133 | R | 91.6 | Very high | 88.1 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 28% | 0.279 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 175 | -72.3 | 176.2 | 179.9 | 175.6 | -1.4 | 112.4 | L99 L129 I130 A136 A137 D183 | L99-R133 HydrophobicContact CD1-CB 4.11Å; L129-R133 WeakPolarHBondContact O-CG 3.45Å; L129-R133 PolarHBondContact O-N 3.07Å; I130-R133 PolarHBondContact O-N 3.31Å; R133-A136 PolarHBondContact O-N 3.03Å; R133-A137 WeakPolarHBondContact O-CB 3.49Å; R133-A137 PolarHBondContact O-N 2.99Å; R133-D183 IonicContact CZ-OD2 2.81Å; R133-D183 VanDerWaalsContact CZ-OD2 3.25Å; R133-D183 IonicContact NE-OD2 3.17Å; R133-D183 PolarHBondContact NE-OD2 3Å; R133-D183 IonicContact NH2-OD2 3.25Å; R133-D183 PolarHBondContact NH2-OD2 3.49Å |
| 134 | L | 92.1 | Very high | 88.6 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 173.4 | -177.8 | 68.6 | 0 | 0 | 0 | 111.3 | L99 F104 A107 K108 I130 R131 A132 A136 A137 L138 | L99-L134 HydrophobicContact CD1-CB 4.43Å; L99-L134 HydrophobicContact CD2-CB 3.92Å; L99-L134 HydrophobicContact CD2-CD1 3.47Å; L99-L134 VanDerWaalsContact CD2-CD1 3.47Å; L99-L134 HydrophobicContact CD2-CG 4.29Å; F104-L134 HydrophobicContact CB-CD1 4.22Å; A107-L134 HydrophobicContact CB-CD1 3.99Å; K108-L134 HydrophobicContact CB-CD2 3.98Å; K108-L134 HydrophobicContact CG-CD2 4.25Å; I130-L134 WeakPolarHBondContact O-CB 3.4Å; I130-L134 PolarHBondContact O-N 3.32Å; R131-L134 PolarHBondContact O-N 2.93Å; A132-L134 VanDerWaalsContact C-N 3.35Å; L134-A136 PolarHBondContact O-N 3.48Å; L134-A137 PolarHBondContact O-N 3.21Å; L134-L138 HydrophobicContact CD1-CD1 4.5Å; L134-L138 HydrophobicContact CG-CD1 4.28Å; L134-L138 WeakPolarHBondContact O-CG 3.45Å; L134-L138 PolarHBondContact O-N 3.01Å |
| 135 | A | 91.7 | Very high | 89.1 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | R131 A132 A137 L138 N139 D140 E143 A144 I147 | R131-A135 PolarHBondContact O-N 3.39Å; A132-A135 PolarHBondContact O-N 3.29Å; A135-A137 VanDerWaalsContact C-N 3.34Å; A135-A137 PolarHBondContact O-N 2.66Å; A135-L138 CarbonylContact O-C 3.53Å; A135-L138 PolarHBondContact O-N 3.13Å; A135-N139 PolarHBondContact O-N 2.88Å; A135-D140 PolarHBondContact O-N 3.31Å; A135-E143 HydrophobicContact CB-CB 4.47Å; A135-A144 HydrophobicContact CB-CB 4.04Å; A135-I147 HydrophobicContact CB-CD1 4.07Å |
| 136 | A | 89.8 | Confident | 89.4 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A132 R133 L134 L138 N139 A144 L187 | A132-A136 WeakPolarHBondContact O-CB 3.49Å; A132-A136 PolarHBondContact O-N 3.08Å; R133-A136 PolarHBondContact O-N 3.03Å; L134-A136 PolarHBondContact O-N 3.48Å; A136-L138 VanDerWaalsContact C-N 3.32Å; A136-L138 PolarHBondContact O-N 2.75Å; A136-N139 PolarHBondContact O-N 3.38Å; A136-N139 VanDerWaalsContact O-N 3.16Å; A136-A144 HydrophobicContact CB-CB 3.98Å; A136-L187 HydrophobicContact CB-CD2 3.75Å |
| 137 | A | 88.3 | Confident | 89.7 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.9 | -27.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F104 R133 L134 A135 N139 | F104-A137 HydrophobicContact CD1-CB 3.86Å; F104-A137 HydrophobicContact CE1-CB 3.48Å; F104-A137 VanDerWaalsContact CE1-CB 3.48Å; F104-A137 HydrophobicContact CZ-CB 4.1Å; R133-A137 WeakPolarHBondContact O-CB 3.49Å; R133-A137 PolarHBondContact O-N 2.99Å; L134-A137 PolarHBondContact O-N 3.21Å; A135-A137 VanDerWaalsContact C-N 3.34Å; A135-A137 PolarHBondContact O-N 2.66Å; A137-N139 PolarHBondContact O-N 2.97Å |
| 138 | L | 89.1 | Confident | 89.7 | Confident | 95 Ų | 95 | 44.5 Ų | 44.5 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 11.5 | 171.7 | -67.6 | 171.3 | 0 | 0 | 0 | 113.2 | F104 L134 A135 A136 D140 | F104-L138 HydrophobicContact CB-CD2 4.1Å; F104-L138 HydrophobicContact CG-CD2 4.47Å; L134-L138 HydrophobicContact CD1-CD1 4.5Å; L134-L138 HydrophobicContact CG-CD1 4.28Å; L134-L138 WeakPolarHBondContact O-CG 3.45Å; L134-L138 PolarHBondContact O-N 3.01Å; A135-L138 CarbonylContact O-C 3.53Å; A135-L138 PolarHBondContact O-N 3.13Å; A136-L138 VanDerWaalsContact C-N 3.32Å; A136-L138 PolarHBondContact O-N 2.75Å; L138-D140 PolarHBondContact O-N 2.8Å |
| 139 | N | 83.9 | Confident | 89.7 | Confident | 149 Ų | 149 | 46.6 Ų | 46.6 | 80% | 0.797 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 17.8 | -177.3 | -64.3 | -36.3 | 0 | 0 | 0 | 115.3 | A135 A136 A137 T141 | A135-N139 PolarHBondContact O-N 2.88Å; A136-N139 PolarHBondContact O-N 3.38Å; A136-N139 VanDerWaalsContact O-N 3.16Å; A137-N139 PolarHBondContact O-N 2.97Å; N139-T141 PolarHBondContact O-N 3.4Å |
| 140 | D | 89 | Confident | 89.6 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | trans | -96.8 | 77.3 | 170.5 | -158.9 | -25.3 | 0 | 0 | 0 | 110.7 | A135 L138 K142 E143 A144 | A135-D140 PolarHBondContact O-N 3.31Å; L138-D140 PolarHBondContact O-N 2.8Å; D140-K142 VanDerWaalsContact C-N 3.27Å; D140-K142 PolarHBondContact O-N 3.27Å; D140-K142 PolarHBondContact OD1-N 3.26Å; D140-E143 HydrophobicContact CB-CB 4.04Å; D140-E143 WeakPolarHBondContact OD1-CB 3.47Å; D140-E143 PolarHBondContact OD1-N 2.88Å; D140-A144 WeakPolarHBondContact O-CB 3.28Å; D140-A144 PolarHBondContact O-N 3.3Å; D140-A144 VanDerWaalsContact O-N 3.09Å | ||
| 141 | T | 87.5 | Confident | 89.3 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -33.8 | -180 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | N139 A144 I145 | N139-T141 PolarHBondContact O-N 3.4Å; T141-A144 PolarHBondContact O-N 3.36Å; T141-I145 WeakPolarHBondContact O-CD1 3.45Å; T141-I145 VanDerWaalsContact O-CG1 3.26Å; T141-I145 WeakPolarHBondContact O-CG1 3.3Å; T141-I145 PolarHBondContact O-N 3.27Å |
| 142 | K | 89.5 | Confident | 88.8 | Confident | 149 Ų | 149 | 49.3 Ų | 49.3 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -70 | -44.2 | -178.8 | -67.2 | -175.9 | 179.3 | -178.3 | 0 | 111.1 | D140 A144 I145 A146 | D140-K142 VanDerWaalsContact C-N 3.27Å; D140-K142 PolarHBondContact O-N 3.27Å; D140-K142 PolarHBondContact OD1-N 3.26Å; K142-A144 VanDerWaalsContact C-N 3.34Å; K142-I145 PolarHBondContact O-N 3.48Å; K142-A146 WeakPolarHBondContact O-CB 3.5Å; K142-A146 PolarHBondContact O-N 3.13Å |
| 143 | E | 90.8 | Very high | 88.3 | Confident | 104 Ų | 104 | 56.9 Ų | 56.9 | 49% | 0.486 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 174 | -169.2 | -175.6 | -173.8 | 0 | 0 | 110.8 | A135 D140 I145 A146 I147 | A135-E143 HydrophobicContact CB-CB 4.47Å; D140-E143 HydrophobicContact CB-CB 4.04Å; D140-E143 WeakPolarHBondContact OD1-CB 3.47Å; D140-E143 PolarHBondContact OD1-N 2.88Å; E143-I145 PolarHBondContact O-N 3.46Å; E143-A146 PolarHBondContact O-N 2.84Å; E143-I147 HydrophobicContact CG-CD1 3.96Å; E143-I147 HydrophobicContact CG-CG1 4.41Å; E143-I147 VanDerWaalsContact O-CG1 3.25Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 3.29Å |
| 144 | A | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A132 A135 A136 D140 T141 K142 I147 L148 L187 | A132-A144 WeakPolarHBondContact O-CB 3.29Å; A135-A144 HydrophobicContact CB-CB 4.04Å; A136-A144 HydrophobicContact CB-CB 3.98Å; D140-A144 WeakPolarHBondContact O-CB 3.28Å; D140-A144 PolarHBondContact O-N 3.3Å; D140-A144 VanDerWaalsContact O-N 3.09Å; T141-A144 PolarHBondContact O-N 3.36Å; K142-A144 VanDerWaalsContact C-N 3.34Å; A144-I147 PolarHBondContact O-N 2.69Å; A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 2.98Å; A144-L148 VanDerWaalsContact O-N 3.09Å; A144-L187 HydrophobicContact CB-CD1 3.78Å; A144-L187 HydrophobicContact CB-CD2 4.45Å |
| 145 | I | 90.3 | Very high | 85.3 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 175.9 | -68.5 | 163.1 | 0 | 0 | 0 | 110.7 | T141 K142 E143 I147 L148 N149 L184 L187 L188 N191 | T141-I145 WeakPolarHBondContact O-CD1 3.45Å; T141-I145 VanDerWaalsContact O-CG1 3.26Å; T141-I145 WeakPolarHBondContact O-CG1 3.3Å; T141-I145 PolarHBondContact O-N 3.27Å; K142-I145 PolarHBondContact O-N 3.48Å; E143-I145 PolarHBondContact O-N 3.46Å; I145-I147 VanDerWaalsContact C-N 3.32Å; I145-I147 PolarHBondContact O-N 3.44Å; I145-L148 PolarHBondContact O-N 3.48Å; I145-N149 WeakPolarHBondContact CG2-ND2 3.4Å; I145-N149 WeakPolarHBondContact O-CB 3.34Å; I145-N149 PolarHBondContact O-N 2.93Å; I145-L184 HydrophobicContact CG2-CD1 4.29Å; I145-L187 HydrophobicContact CD1-CB 4.28Å; I145-L187 HydrophobicContact CG1-CB 3.75Å; I145-L188 HydrophobicContact CD1-CD2 4.25Å; I145-L188 HydrophobicContact CG2-CD2 4.17Å; I145-N191 HydrophobicContact CD1-CB 3.77Å |
| 146 | A | 90.9 | Very high | 83.4 | Confident | 47 Ų | 47 | 65.1 Ų | 65.1 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K142 E143 N150 | K142-A146 WeakPolarHBondContact O-CB 3.5Å; K142-A146 PolarHBondContact O-N 3.13Å; E143-A146 PolarHBondContact O-N 2.84Å; A146-N150 WeakPolarHBondContact O-CB 3.3Å; A146-N150 PolarHBondContact O-N 3.27Å; A146-N150 PolarHBondContact O-ND2 2.8Å |
| 147 | I | 89.9 | Confident | 81.6 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 176.6 | -67.6 | 163.3 | 0 | 0 | 0 | 110.9 | H128 R131 A132 A135 E143 A144 I145 N150 A151 | H128-I147 HydrophobicContact CB-CG2 4.4Å; H128-I147 WeakPolarHBondContact O-CG2 3.32Å; R131-I147 HydrophobicContact CB-CG2 4.47Å; R131-I147 HydrophobicContact CG-CD1 4.1Å; A132-I147 HydrophobicContact CB-CB 4.25Å; A132-I147 HydrophobicContact CB-CG2 3.97Å; A135-I147 HydrophobicContact CB-CD1 4.07Å; E143-I147 HydrophobicContact CG-CD1 3.96Å; E143-I147 HydrophobicContact CG-CG1 4.41Å; E143-I147 VanDerWaalsContact O-CG1 3.25Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 3.29Å; A144-I147 PolarHBondContact O-N 2.69Å; I145-I147 VanDerWaalsContact C-N 3.32Å; I145-I147 PolarHBondContact O-N 3.44Å; I147-N150 PolarHBondContact O-N 2.94Å; I147-A151 PolarHBondContact O-N 3.42Å |
| 148 | L | 89.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.2 | -41.4 | -179.2 | -67.2 | 171.7 | 0 | 0 | 0 | 111.8 | L129 A132 A144 I145 N150 A151 V152 I180 D183 L184 L187 | L129-L148 HydrophobicContact CD1-CD2 4.45Å; A132-L148 HydrophobicContact CB-CD1 4.02Å; A132-L148 HydrophobicContact CB-CD2 3.53Å; A132-L148 HydrophobicContact CB-CG 3.49Å; A132-L148 VanDerWaalsContact CB-CG 3.49Å; A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 2.98Å; A144-L148 VanDerWaalsContact O-N 3.09Å; I145-L148 PolarHBondContact O-N 3.48Å; L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 2.84Å; L148-A151 WeakPolarHBondContact O-CA 3.31Å; L148-A151 WeakPolarHBondContact O-CB 3.42Å; L148-A151 PolarHBondContact O-N 3.09Å; L148-V152 WeakPolarHBondContact O-CG2 3.32Å; L148-V152 PolarHBondContact O-N 2.91Å; L148-I180 HydrophobicContact CD2-CB 4.49Å; L148-I180 HydrophobicContact CD2-CG1 4.38Å; L148-I180 HydrophobicContact CD2-CG2 4.04Å; L148-D183 HydrophobicContact CD1-CB 4.34Å; L148-L184 HydrophobicContact CB-CB 4.41Å; L148-L184 HydrophobicContact CB-CD1 3.7Å; L148-L184 HydrophobicContact CD1-CB 4.12Å; L148-L184 HydrophobicContact CD1-CD1 4.35Å; L148-L187 HydrophobicContact CD1-CD1 3.57Å |
| 149 | N | 88.4 | Confident | 77.3 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 174 | -80.9 | -24.8 | 0 | 0 | 0 | 112 | I145 V152 K153 L184 | I145-N149 WeakPolarHBondContact CG2-ND2 3.4Å; I145-N149 WeakPolarHBondContact O-CB 3.34Å; I145-N149 PolarHBondContact O-N 2.93Å; N149-V152 PolarHBondContact O-N 3.4Å; N149-K153 VanDerWaalsContact O-CG 3.31Å; N149-K153 WeakPolarHBondContact O-CG 3.46Å; N149-K153 PolarHBondContact O-N 2.78Å; N149-L184 WeakPolarHBondContact OD1-CD1 3.46Å |
| 150 | N | 86.1 | Confident | 75.2 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 172.8 | -72.7 | -21.9 | 0 | 0 | 0 | 111.8 | A146 I147 L148 V152 K153 L154 | A146-N150 WeakPolarHBondContact O-CB 3.3Å; A146-N150 PolarHBondContact O-N 3.27Å; A146-N150 PolarHBondContact O-ND2 2.8Å; I147-N150 PolarHBondContact O-N 2.94Å; L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 2.84Å; N150-V152 VanDerWaalsContact C-N 3.31Å; N150-V152 PolarHBondContact O-N 2.87Å; N150-K153 PolarHBondContact O-N 3.11Å; N150-L154 VanDerWaalsContact O-CG 3.26Å; N150-L154 WeakPolarHBondContact O-CG 3.34Å; N150-L154 PolarHBondContact O-N 3.17Å |
| 151 | A | 84.1 | Confident | 72.6 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63 | -37 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H128 I147 L148 | H128-A151 HydrophobicContact CB-CB 3.67Å; I147-A151 PolarHBondContact O-N 3.42Å; L148-A151 WeakPolarHBondContact O-CA 3.31Å; L148-A151 WeakPolarHBondContact O-CB 3.42Å; L148-A151 PolarHBondContact O-N 3.09Å |
| 152 | V | 81.3 | Confident | 69.9 | Low | 52 Ų | 52 | 74.9 Ų | 74.9 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 174.6 | 177 | 0 | 0 | 0 | 0 | 111.7 | L148 N149 N150 I180 | L148-V152 WeakPolarHBondContact O-CG2 3.32Å; L148-V152 PolarHBondContact O-N 2.91Å; N149-V152 PolarHBondContact O-N 3.4Å; N150-V152 VanDerWaalsContact C-N 3.31Å; N150-V152 PolarHBondContact O-N 2.87Å; V152-I180 HydrophobicContact CG2-CG2 3.91Å |
| 153 | K | 79.4 | Confident | 67.2 | Low | 161 Ų | 161 | 71.8 Ų | 71.8 | 70% | 0.7 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -71.6 | -32.3 | 178.8 | -74.1 | 173.6 | -176.4 | 177.6 | 0 | 113.8 | N149 N150 H155 | N149-K153 VanDerWaalsContact O-CG 3.31Å; N149-K153 WeakPolarHBondContact O-CG 3.46Å; N149-K153 PolarHBondContact O-N 2.78Å; N150-K153 PolarHBondContact O-N 3.11Å; K153-H155 PolarHBondContact O-N 3.15Å |
| 154 | L | 70.8 | Confident | 64.4 | Low | 73 Ų | 73 | 75.6 Ų | 75.6 | 38% | 0.382 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -66.7 | 132.2 | -179.5 | -74.5 | 166.6 | 0 | 0 | 0 | 110.4 | N150 C156 | N150-L154 VanDerWaalsContact O-CG 3.26Å; N150-L154 WeakPolarHBondContact O-CG 3.34Å; N150-L154 PolarHBondContact O-N 3.17Å; L154-C156 PolarHBondContact O-N 3.18Å |
| 155 | H | 50.2 | Low | 62.1 | Low | 157 Ų | 157 | 83.5 Ų | 83.5 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -58.2 | -3 | 179 | -72.2 | -45.9 | 0 | 0 | 0 | 115.2 | K153 L157 N158 | K153-H155 PolarHBondContact O-N 3.15Å; H155-L157 PolarHBondContact O-N 3.26Å; H155-N158 PolarHBondContact O-N 3.4Å |
| 156 | C | 50.7 | Low | 60.2 | Low | 36 Ų | 36 | 85.1 Ų | 85.1 | 24% | 0.243 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -60.9 | -9.5 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | H123 L154 | H123-C156 WeakPolarHBondContact O-CB 3.44Å; H123-C156 PolarHBondContact O-SG 3.03Å; L154-C156 PolarHBondContact O-N 3.18Å |
| 157 | L | 52.3 | Low | 58.4 | Low | 15 Ų | 15 | 86.7 Ų | 86.7 | 8% | 0.079 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -89.6 | -17.8 | 172.6 | -61.8 | 169.5 | 0 | 0 | 0 | 112.5 | P125 H155 K177 | P125-L157 HydrophobicContact CG-CD2 4.37Å; H155-L157 PolarHBondContact O-N 3.26Å; L157-K177 HydrophobicContact CB-CD 4.16Å; L157-K177 HydrophobicContact CD2-CB 4.29Å; L157-K177 HydrophobicContact CD2-CD 3.6Å; L157-K177 HydrophobicContact CD2-CG 3.51Å; L157-K177 HydrophobicContact CG-CD 4.36Å; L157-K177 WeakPolarHBondContact O-CE 3.43Å; L157-K177 PolarHBondContact O-NZ 3.49Å |
| 158 | N | 46.9 | Very low | 56.8 | Low | 126 Ų | 126 | 88.2 Ų | 88.2 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 1.9 | -165.4 | -69.5 | -11.3 | 0 | 0 | 0 | 115.8 | H155 P160 | H155-N158 PolarHBondContact O-N 3.4Å; N158-P160 WeakPolarHBondContact O-CD 3.3Å |
| 159 | S | 41.6 | Very low | 55.3 | Low | 74 Ų | 74 | 92.3 Ų | 92.3 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | trans | -101.5 | 110.3 | 178.8 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | K161 | S159-K161 PolarHBondContact O-N 2.94Š| ||
| 160 | P | 38.7 | Very low | 54.1 | Low | 126 Ų | 126 | 90.3 Ų | 90.3 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | trans | -77.2 | 22.8 | 173.7 | 31.5 | -34.1 | 0 | 0 | 0 | 113.3 | N158 | N158-P160 WeakPolarHBondContact O-CD 3.3Š| ||
| 161 | K | 35.3 | Very low | 53.1 | Low | 190 Ų | 190 | 87.8 Ų | 87.8 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | trans | -132.1 | 69.6 | -167.1 | -67.9 | -175.3 | 177.7 | 179.8 | 0 | 112.1 | S159 | S159-K161 PolarHBondContact O-N 2.94Š| ||
| 162 | A | 31.1 | Very low | 52.4 | Low | 97 Ų | 97 | 90.5 Ų | 90.5 | 80% | 0.802 | 49% | 0.491 | S | S | * | . | trans | -170.6 | 2.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E164 | A162-E164 PolarHBondContact O-N 2.9Š| ||
| 163 | A | 32.3 | Very low | 51.9 | Low | 83 Ų | 83 | 91.4 Ų | 91.4 | 69% | 0.686 | 49% | 0.493 | S | S | * | . | trans | -84.7 | 77 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q165 | A163-Q165 VanDerWaalsContact C-N 3.34Å; A163-Q165 PolarHBondContact O-N 3.14Å; A163-Q165 VanDerWaalsContact O-N 3.17Å | ||
| 164 | E | 31.8 | Very low | 51.7 | Low | 185 Ų | 185 | 90.2 Ų | 90.2 | 86% | 0.864 | 49% | 0.49 | S | S | * | . | trans | -62 | 110 | 142.1 | -78.2 | -175.6 | 171.2 | 0 | 0 | 105.1 | A162 S166 | A162-E164 PolarHBondContact O-N 2.9Å; E164-S166 PolarHBondContact O-N 2.81Å | ||
| 165 | Q | 42.9 | Very low | 51.9 | Low | 165 Ų | 165 | 87.7 Ų | 87.7 | 77% | 0.771 | 48% | 0.479 | S | S | * | . | trans | -57.6 | 90.6 | 176 | -80.1 | 175.5 | -28.6 | 0 | 0 | 108.3 | A163 F167 | A163-Q165 VanDerWaalsContact C-N 3.34Å; A163-Q165 PolarHBondContact O-N 3.14Å; A163-Q165 VanDerWaalsContact O-N 3.17Å; Q165-F167 PolarHBondContact O-N 3.31Å | ||
| 166 | S | 50.3 | Low | 53.2 | Low | 50 Ų | 50 | 81 Ų | 81 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | trans | -66.1 | 136.2 | 170.3 | 73.7 | 0 | 0 | 0 | 0 | 106.7 | E164 F168 E169 | E164-S166 PolarHBondContact O-N 2.81Å; S166-F168 PolarHBondContact O-N 3.16Å; S166-E169 PolarHBondContact O-N 3.41Å | ||
| 167 | F | 53.1 | Low | 54.7 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -16 | -178.7 | -160.2 | -80.1 | 0 | 0 | 0 | 112.6 | A55 M59 Q165 | A55-F167 HydrophobicContact CB-CD1 3.16Å; A55-F167 HydrophobicContact CB-CD2 4.3Å; A55-F167 HydrophobicContact CB-CE1 3.07Å; A55-F167 HydrophobicContact CB-CE2 4.2Å; A55-F167 HydrophobicContact CB-CG 3.82Å; A55-F167 HydrophobicContact CB-CZ 3.62Å; M59-F167 HydrophobicContact CG-CE1 4.07Å; Q165-F167 PolarHBondContact O-N 3.31Å |
| 168 | F | 56.3 | Low | 56.2 | Low | 39 Ų | 39 | 81.4 Ų | 81.4 | 17% | 0.171 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3.4 | -178.8 | -59.3 | -81 | 0 | 0 | 0 | 114.6 | L54 F58 S89 S166 | L54-F168 HydrophobicContact CB-CE1 4.19Å; L54-F168 HydrophobicContact CB-CZ 3.69Å; L54-F168 HydrophobicContact CD1-CZ 4.44Å; F58-F168 HydrophobicContact CB-CD1 3.86Å; F58-F168 HydrophobicContact CB-CE1 3.92Å; F58-F168 HydrophobicContact CD1-CD1 4.09Å; F58-F168 AromaticContact CD2-CD1 3.72Å; F58-F168 HydrophobicContact CD2-CD1 3.72Å; F58-F168 HydrophobicContact CD2-CE1 4.39Å; F58-F168 HydrophobicContact CE1-CB 4.41Å; F58-F168 WeakPolarHBondContact CE1-O 3.47Å; F58-F168 HydrophobicContact CE2-CD1 4.23Å; F58-F168 AromaticContact CG-CD1 3.63Å; F58-F168 HydrophobicContact CG-CD1 3.63Å; F58-F168 HydrophobicContact CG-CE1 4.21Å; F58-F168 HydrophobicContact CZ-CB 4.34Å; F58-F168 WeakPolarHBondContact CZ-O 3.36Å; S89-F168 WeakPolarHBondContact OG-CB 3.19Å; S166-F168 PolarHBondContact O-N 3.16Å |
| 169 | E | 58.3 | Low | 57.9 | Low | 88 Ų | 88 | 77.1 Ų | 77.1 | 41% | 0.411 | 42% | 0.421 | S | S | . | . | trans | -101.8 | 109.6 | 169.9 | -74.9 | -179.5 | 178.6 | 0 | 0 | 110.2 | Y20 S166 | Y20-E169 PolarHBondContact OH-O 3.21Å; S166-E169 PolarHBondContact O-N 3.41Å | ||
| 170 | Y | 63.4 | Low | 60.1 | Low | 15 Ų | 15 | 73.7 Ų | 73.7 | 6% | 0.059 | 40% | 0.396 | C | S | . | . | trans | -108 | -3.4 | -179.1 | 70.7 | -99.1 | 0 | 0 | 0 | 114 | F23 N24 F58 L93 | F23-Y170 HydrophobicContact CD1-CD2 4.34Å; F23-Y170 HydrophobicContact CD1-CG 4.45Å; F23-Y170 AromaticContact CE1-CD2 3.4Å; F23-Y170 HydrophobicContact CE1-CD2 3.4Å; F23-Y170 HydrophobicContact CE1-CE2 4.14Å; F23-Y170 AromaticContact CE1-CG 3.62Å; F23-Y170 HydrophobicContact CE1-CG 3.62Å; F23-Y170 HydrophobicContact CZ-CD2 4.14Å; F23-Y170 HydrophobicContact CZ-CE2 4.48Å; F23-Y170 HydrophobicContact CZ-CG 4.49Å; N24-Y170 PolarHBondContact OD1-O 3.06Å; F58-Y170 AromaticContact CE1-CD1 3.65Å; F58-Y170 HydrophobicContact CE1-CD1 3.65Å; F58-Y170 HydrophobicContact CE1-CE1 4.33Å; F58-Y170 AromaticContact CZ-CD1 3.76Å; F58-Y170 HydrophobicContact CZ-CD1 3.76Å; F58-Y170 HydrophobicContact CZ-CE1 4.04Å; L93-Y170 HydrophobicContact CD1-CE1 3.98Å; L93-Y170 WeakPolarHBondContact CD1-OH 3.38Å | ||
| 171 | E | 63.9 | Low | 62.4 | Low | 27 Ų | 27 | 69.8 Ų | 69.8 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -114.2 | 125.3 | 177.4 | -55.7 | -161.1 | 149.7 | 0 | 0 | 109.1 | I176 K179 | E171-I176 HydrophobicContact CB-CD1 4.08Å; E171-I176 HydrophobicContact CB-CG1 3.87Å; E171-K179 IonicContact OE1-NZ 3.12Å; E171-K179 PolarHBondContact OE1-NZ 3.2Å; E171-K179 IonicContact OE2-NZ 2.75Å; E171-K179 PolarHBondContact OE2-NZ 3.3Å |
| 172 | S | 69 | Low | 64.9 | Low | 62 Ų | 62 | 61 Ų | 61 | 43% | 0.434 | 33% | 0.329 | S | S | . | . | trans | -57.2 | 143.4 | 170.1 | 62.5 | 0 | 0 | 0 | 0 | 110 | E174 S175 I176 | S172-E174 PolarHBondContact O-N 3.32Å; S172-E174 VanDerWaalsContact O-N 3.15Å; S172-S175 WeakPolarHBondContact O-CB 3.3Å; S172-S175 PolarHBondContact O-N 3.29Å; S172-S175 WeakPolarHBondContact OG-CB 3.45Å; S172-S175 PolarHBondContact OG-N 2.96Å; S172-I176 PolarHBondContact O-N 2.85Å | ||
| 173 | L | 72.4 | Confident | 67.6 | Low | 71 Ų | 71 | 57.5 Ų | 57.5 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -50.3 | -42.1 | 175.1 | -177.3 | 64.8 | 0 | 0 | 0 | 111.7 | P125 I176 K177 | P125-L173 HydrophobicContact CG-CD1 3.76Å; L173-I176 PolarHBondContact O-N 3.41Å; L173-I176 VanDerWaalsContact O-N 3.14Å; L173-K177 WeakPolarHBondContact O-CG 3.44Å; L173-K177 PolarHBondContact O-N 2.82Å |
| 174 | E | 73.9 | Confident | 70.4 | Confident | 137 Ų | 137 | 53.9 Ų | 53.9 | 64% | 0.64 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.4 | -47.2 | 178.1 | -68.8 | 170.2 | 176.5 | 0 | 0 | 112.8 | S172 I176 K177 F178 | S172-E174 PolarHBondContact O-N 3.32Å; S172-E174 VanDerWaalsContact O-N 3.15Å; E174-I176 VanDerWaalsContact C-N 3.3Å; E174-I176 PolarHBondContact O-N 2.86Å; E174-K177 WeakPolarHBondContact O-CB 3.23Å; E174-K177 PolarHBondContact O-N 3.26Å; E174-K177 VanDerWaalsContact O-N 3.17Å; E174-F178 PolarHBondContact O-N 3.04Å |
| 175 | S | 74.9 | Confident | 73.1 | Confident | 19 Ų | 19 | 45 Ų | 45 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | S172 F178 K179 | S172-S175 WeakPolarHBondContact O-CB 3.3Å; S172-S175 PolarHBondContact O-N 3.29Å; S172-S175 WeakPolarHBondContact OG-CB 3.45Å; S172-S175 PolarHBondContact OG-N 2.96Å; S175-F178 PolarHBondContact O-N 3.18Å; S175-K179 WeakPolarHBondContact O-CG 3.39Å; S175-K179 PolarHBondContact O-N 3.46Å |
| 176 | I | 78.5 | Confident | 75.4 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 176.6 | -57.2 | 168.9 | 0 | 0 | 0 | 110.6 | P125 K126 E171 S172 L173 E174 F178 K179 I180 | P125-I176 HydrophobicContact CB-CG2 3.71Å; K126-I176 HydrophobicContact CB-CD1 4.4Å; E171-I176 HydrophobicContact CB-CD1 4.08Å; E171-I176 HydrophobicContact CB-CG1 3.87Å; S172-I176 PolarHBondContact O-N 2.85Å; L173-I176 PolarHBondContact O-N 3.41Å; L173-I176 VanDerWaalsContact O-N 3.14Å; E174-I176 VanDerWaalsContact C-N 3.3Å; E174-I176 PolarHBondContact O-N 2.86Å; I176-F178 VanDerWaalsContact C-N 3.32Å; I176-F178 PolarHBondContact O-N 3.14Å; I176-K179 PolarHBondContact O-N 3.04Å; I176-I180 HydrophobicContact CG2-CD1 4.05Å; I176-I180 HydrophobicContact CG2-CG1 4.47Å; I176-I180 WeakPolarHBondContact O-CG1 3.38Å; I176-I180 PolarHBondContact O-N 3.36Å |
| 177 | K | 81.9 | Confident | 77.3 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 174.5 | -49.5 | -157.1 | -178.4 | 163.1 | 0 | 110.9 | L157 L173 E174 K179 I180 H181 | L157-K177 HydrophobicContact CB-CD 4.16Å; L157-K177 HydrophobicContact CD2-CB 4.29Å; L157-K177 HydrophobicContact CD2-CD 3.6Å; L157-K177 HydrophobicContact CD2-CG 3.51Å; L157-K177 HydrophobicContact CG-CD 4.36Å; L157-K177 WeakPolarHBondContact O-CE 3.43Å; L157-K177 PolarHBondContact O-NZ 3.49Å; L173-K177 WeakPolarHBondContact O-CG 3.44Å; L173-K177 PolarHBondContact O-N 2.82Å; E174-K177 WeakPolarHBondContact O-CB 3.23Å; E174-K177 PolarHBondContact O-N 3.26Å; E174-K177 VanDerWaalsContact O-N 3.17Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 3.09Å; K177-I180 WeakPolarHBondContact O-CB 3.49Å; K177-I180 PolarHBondContact O-N 3.2Å; K177-I180 VanDerWaalsContact O-N 3.16Å; K177-H181 PolarHBondContact O-CD2 3.16Å; K177-H181 PolarHBondContact O-N 3.03Å |
| 178 | F | 82.9 | Confident | 79.1 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 178 | 176.6 | -98.9 | 0 | 0 | 0 | 111.4 | E174 S175 I176 I180 H181 L182 L204 Q212 Q215 I216 | E174-F178 PolarHBondContact O-N 3.04Å; S175-F178 PolarHBondContact O-N 3.18Å; I176-F178 VanDerWaalsContact C-N 3.32Å; I176-F178 PolarHBondContact O-N 3.14Å; F178-I180 PolarHBondContact O-N 3.31Å; F178-H181 PolarHBondContact O-N 3.35Å; F178-L182 HydrophobicContact CE1-CB 4.46Å; F178-L182 HydrophobicContact CE1-CD2 4.03Å; F178-L182 HydrophobicContact CZ-CD1 4.38Å; F178-L182 HydrophobicContact CZ-CD2 4.36Å; F178-L182 WeakPolarHBondContact O-CB 3.36Å; F178-L182 PolarHBondContact O-N 3.46Å; F178-L204 HydrophobicContact CD2-CD1 4.43Å; F178-L204 HydrophobicContact CD2-CD2 3.68Å; F178-L204 HydrophobicContact CE2-CD1 4.11Å; F178-L204 HydrophobicContact CE2-CD2 4.02Å; F178-L204 HydrophobicContact CE2-CG 4.47Å; F178-Q212 HydrophobicContact CD1-CB 4.46Å; F178-Q212 HydrophobicContact CD1-CG 4.02Å; F178-Q212 HydrophobicContact CD2-CB 4.34Å; F178-Q212 HydrophobicContact CD2-CG 4.35Å; F178-Q212 HydrophobicContact CE1-CB 4Å; F178-Q212 HydrophobicContact CE1-CG 3.98Å; F178-Q212 HydrophobicContact CE2-CB 3.87Å; F178-Q212 HydrophobicContact CE2-CG 4.33Å; F178-Q212 VanDerWaalsContact CG-CD 3.44Å; F178-Q212 HydrophobicContact CG-CG 4.2Å; F178-Q212 HydrophobicContact CZ-CB 3.69Å; F178-Q212 HydrophobicContact CZ-CG 4.16Å; F178-Q215 HydrophobicContact CE1-CB 4.33Å; F178-Q215 HydrophobicContact CZ-CB 4.29Å; F178-I216 HydrophobicContact CE2-CD1 3.85Å; F178-I216 HydrophobicContact CE2-CG1 3.71Å; F178-I216 HydrophobicContact CZ-CD1 4.31Å; F178-I216 HydrophobicContact CZ-CG1 3.75Å |
| 179 | K | 84.6 | Confident | 80.6 | Confident | 36 Ų | 36 | 34.5 Ų | 34.5 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 176.3 | -72.2 | 176.5 | -175 | -177.8 | 0 | 113 | L129 E171 S175 I176 K177 L182 D183 | L129-K179 HydrophobicContact CD1-CB 4.32Å; L129-K179 HydrophobicContact CD2-CB 4Å; L129-K179 HydrophobicContact CD2-CD 4.09Å; E171-K179 IonicContact OE1-NZ 3.12Å; E171-K179 PolarHBondContact OE1-NZ 3.2Å; E171-K179 IonicContact OE2-NZ 2.75Å; E171-K179 PolarHBondContact OE2-NZ 3.3Å; S175-K179 WeakPolarHBondContact O-CG 3.39Å; S175-K179 PolarHBondContact O-N 3.46Å; I176-K179 PolarHBondContact O-N 3.04Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 3.09Å; K179-L182 PolarHBondContact O-N 3Å; K179-D183 VanDerWaalsContact O-CB 3.31Å; K179-D183 WeakPolarHBondContact O-CB 3.37Å; K179-D183 PolarHBondContact O-N 2.72Å |
| 180 | I | 86.5 | Confident | 82 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -49.8 | 176.6 | -73 | 169 | 0 | 0 | 0 | 110.2 | P125 L129 L148 V152 I176 K177 F178 L184 | P125-I180 HydrophobicContact CB-CD1 3.92Å; L129-I180 HydrophobicContact CB-CG1 4.26Å; L129-I180 HydrophobicContact CD1-CG1 3.94Å; L148-I180 HydrophobicContact CD2-CB 4.49Å; L148-I180 HydrophobicContact CD2-CG1 4.38Å; L148-I180 HydrophobicContact CD2-CG2 4.04Å; V152-I180 HydrophobicContact CG2-CG2 3.91Å; I176-I180 HydrophobicContact CG2-CD1 4.05Å; I176-I180 HydrophobicContact CG2-CG1 4.47Å; I176-I180 WeakPolarHBondContact O-CG1 3.38Å; I176-I180 PolarHBondContact O-N 3.36Å; K177-I180 WeakPolarHBondContact O-CB 3.49Å; K177-I180 PolarHBondContact O-N 3.2Å; K177-I180 VanDerWaalsContact O-N 3.16Å; F178-I180 PolarHBondContact O-N 3.31Å; I180-L184 WeakPolarHBondContact O-CB 3.24Å; I180-L184 PolarHBondContact O-N 2.89Å |
| 181 | H | 87.6 | Confident | 83.2 | Confident | 45 Ų | 45 | 37.3 Ų | 37.3 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 178.8 | -72.3 | -67 | 0 | 0 | 0 | 112.4 | K177 F178 L184 A185 I200 L204 | K177-H181 PolarHBondContact O-CD2 3.16Å; K177-H181 PolarHBondContact O-N 3.03Å; F178-H181 PolarHBondContact O-N 3.35Å; H181-L184 PolarHBondContact O-N 3.31Å; H181-A185 WeakPolarHBondContact O-CB 3.45Å; H181-A185 PolarHBondContact O-N 3.04Å; H181-I200 HydrophobicContact CB-CG2 4.09Å; H181-I200 WeakPolarHBondContact O-CG2 3.34Å; H181-L204 HydrophobicContact CB-CD1 3.88Å; H181-L204 HydrophobicContact CB-CD2 3.77Å; H181-L204 HydrophobicContact CB-CG 4.05Å |
| 182 | L | 87.7 | Confident | 84.2 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 177.9 | -171.5 | 73.9 | 0 | 0 | 0 | 112 | F178 K179 L184 A185 K186 L201 Q215 A219 | F178-L182 HydrophobicContact CE1-CB 4.46Å; F178-L182 HydrophobicContact CE1-CD2 4.03Å; F178-L182 HydrophobicContact CZ-CD1 4.38Å; F178-L182 HydrophobicContact CZ-CD2 4.36Å; F178-L182 WeakPolarHBondContact O-CB 3.36Å; F178-L182 PolarHBondContact O-N 3.46Å; K179-L182 PolarHBondContact O-N 3Å; L182-L184 VanDerWaalsContact C-N 3.35Å; L182-A185 PolarHBondContact O-N 3.48Å; L182-K186 WeakPolarHBondContact O-CG 3.49Å; L182-K186 PolarHBondContact O-N 3.36Å; L182-L201 HydrophobicContact CD1-CD2 4.34Å; L182-Q215 HydrophobicContact CD2-CB 3.95Å; L182-A219 HydrophobicContact CD1-CB 3.86Å |
| 183 | D | 87.5 | Confident | 85.2 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -35.4 | 177.2 | -75.1 | -10.2 | 0 | 0 | 0 | 111 | L129 R133 L148 K179 K186 L187 | L129-D183 WeakPolarHBondContact CD1-OD2 3.26Å; R133-D183 IonicContact CZ-OD2 2.81Å; R133-D183 VanDerWaalsContact CZ-OD2 3.25Å; R133-D183 IonicContact NE-OD2 3.17Å; R133-D183 PolarHBondContact NE-OD2 3Å; R133-D183 IonicContact NH2-OD2 3.25Å; R133-D183 PolarHBondContact NH2-OD2 3.49Å; L148-D183 HydrophobicContact CD1-CB 4.34Å; K179-D183 VanDerWaalsContact O-CB 3.31Å; K179-D183 WeakPolarHBondContact O-CB 3.37Å; K179-D183 PolarHBondContact O-N 2.72Å; D183-K186 PolarHBondContact O-N 3.37Å; D183-L187 WeakPolarHBondContact O-CB 3.44Å; D183-L187 VanDerWaalsContact O-CG 3.29Å; D183-L187 WeakPolarHBondContact O-CG 3.19Å; D183-L187 PolarHBondContact O-N 2.89Å |
| 184 | L | 90.7 | Very high | 85.9 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 171.2 | -177 | 77.9 | 0 | 0 | 0 | 110.8 | I145 L148 N149 I180 H181 L182 K186 L187 L188 I200 | I145-L184 HydrophobicContact CG2-CD1 4.29Å; L148-L184 HydrophobicContact CB-CB 4.41Å; L148-L184 HydrophobicContact CB-CD1 3.7Å; L148-L184 HydrophobicContact CD1-CB 4.12Å; L148-L184 HydrophobicContact CD1-CD1 4.35Å; N149-L184 WeakPolarHBondContact OD1-CD1 3.46Å; I180-L184 WeakPolarHBondContact O-CB 3.24Å; I180-L184 PolarHBondContact O-N 2.89Å; H181-L184 PolarHBondContact O-N 3.31Å; L182-L184 VanDerWaalsContact C-N 3.35Å; L184-K186 VanDerWaalsContact C-N 3.34Å; L184-K186 PolarHBondContact O-N 3Å; L184-L187 PolarHBondContact O-N 3.15Å; L184-L188 HydrophobicContact CD2-CD1 4.49Å; L184-L188 HydrophobicContact CG-CD1 3.97Å; L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 WeakPolarHBondContact O-CG 3.09Å; L184-L188 PolarHBondContact O-N 3.16Å; L184-I200 HydrophobicContact CD2-CD1 3.49Å; L184-I200 VanDerWaalsContact CD2-CD1 3.49Å; L184-I200 HydrophobicContact CD2-CG1 4.4Å; L184-I200 HydrophobicContact CG-CD1 3.99Å |
| 185 | A | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | H181 L182 L188 Q189 I200 L201 | H181-A185 WeakPolarHBondContact O-CB 3.45Å; H181-A185 PolarHBondContact O-N 3.04Å; L182-A185 PolarHBondContact O-N 3.48Å; A185-L188 PolarHBondContact O-N 3.45Å; A185-Q189 VanDerWaalsContact O-CG 3.25Å; A185-Q189 WeakPolarHBondContact O-CG 3.44Å; A185-Q189 PolarHBondContact O-N 3.43Å; A185-I200 HydrophobicContact CB-CB 4.45Å; A185-I200 HydrophobicContact CB-CG2 4.11Å; A185-L201 HydrophobicContact CB-CD2 4.06Å; A185-L201 HydrophobicContact CB-CG 4.05Å |
| 186 | K | 89.7 | Confident | 87.3 | Confident | 84 Ų | 84 | 41.8 Ų | 41.8 | 37% | 0.365 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.8 | -72.1 | 172.5 | -177.2 | 170.6 | 0 | 112.5 | L182 D183 L184 Q189 L190 | L182-K186 WeakPolarHBondContact O-CG 3.49Å; L182-K186 PolarHBondContact O-N 3.36Å; D183-K186 PolarHBondContact O-N 3.37Å; L184-K186 VanDerWaalsContact C-N 3.34Å; L184-K186 PolarHBondContact O-N 3Å; K186-Q189 PolarHBondContact O-N 3.18Å; K186-L190 WeakPolarHBondContact O-CG 3.17Å; K186-L190 PolarHBondContact O-N 3.05Å; K186-L190 VanDerWaalsContact O-N 3.1Å |
| 187 | L | 90.4 | Very high | 87.8 | Confident | 16 Ų | 16 | 41 Ų | 41 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69 | -38.4 | 178.6 | -72.9 | 168.9 | 0 | 0 | 0 | 112.2 | A136 A144 I145 L148 D183 L184 L190 N191 | A136-L187 HydrophobicContact CB-CD2 3.75Å; A144-L187 HydrophobicContact CB-CD1 3.78Å; A144-L187 HydrophobicContact CB-CD2 4.45Å; I145-L187 HydrophobicContact CD1-CB 4.28Å; I145-L187 HydrophobicContact CG1-CB 3.75Å; L148-L187 HydrophobicContact CD1-CD1 3.57Å; D183-L187 WeakPolarHBondContact O-CB 3.44Å; D183-L187 VanDerWaalsContact O-CG 3.29Å; D183-L187 WeakPolarHBondContact O-CG 3.19Å; D183-L187 PolarHBondContact O-N 2.89Å; L184-L187 PolarHBondContact O-N 3.15Å; L187-L190 HydrophobicContact CD2-CD1 4.4Å; L187-L190 WeakPolarHBondContact O-CB 3.3Å; L187-L190 PolarHBondContact O-N 2.99Å; L187-L190 VanDerWaalsContact O-N 3.16Å; L187-N191 PolarHBondContact O-N 2.68Å |
| 188 | L | 90.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 173 | -71.8 | 167 | 0 | 0 | 0 | 111.5 | I145 L184 A185 L190 N191 G192 D193 E196 A197 I200 | I145-L188 HydrophobicContact CD1-CD2 4.25Å; I145-L188 HydrophobicContact CG2-CD2 4.17Å; L184-L188 HydrophobicContact CD2-CD1 4.49Å; L184-L188 HydrophobicContact CG-CD1 3.97Å; L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 WeakPolarHBondContact O-CG 3.09Å; L184-L188 PolarHBondContact O-N 3.16Å; A185-L188 PolarHBondContact O-N 3.45Å; L188-L190 VanDerWaalsContact C-N 3.25Å; L188-L190 PolarHBondContact O-N 3.32Å; L188-N191 PolarHBondContact O-N 3.41Å; L188-N191 VanDerWaalsContact O-N 3.14Å; L188-G192 PolarHBondContact O-N 3.26Å; L188-D193 HydrophobicContact CB-CB 4.33Å; L188-D193 HydrophobicContact CD2-CB 3.89Å; L188-D193 PolarHBondContact O-N 2.87Å; L188-E196 HydrophobicContact CD1-CB 4.1Å; L188-A197 HydrophobicContact CB-CB 3.97Å; L188-I200 HydrophobicContact CD1-CD1 3.33Å |
| 189 | Q | 89.1 | Confident | 88.5 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -34.9 | 172.6 | -71 | 174.4 | 36.4 | 0 | 0 | 113 | A185 K186 A197 A219 L223 R226 | A185-Q189 VanDerWaalsContact O-CG 3.25Å; A185-Q189 WeakPolarHBondContact O-CG 3.44Å; A185-Q189 PolarHBondContact O-N 3.43Å; K186-Q189 PolarHBondContact O-N 3.18Å; Q189-A197 HydrophobicContact CG-CB 3.77Å; Q189-A219 PolarHBondContact NE2-O 2.96Å; Q189-A219 VanDerWaalsContact NE2-O 3.13Å; Q189-L223 HydrophobicContact CG-CB 4.42Å; Q189-L223 HydrophobicContact CG-CD1 4.38Å; Q189-R226 PolarHBondContact O-NH1 3.48Å |
| 190 | L | 86.8 | Confident | 88.6 | Confident | 97 Ų | 97 | 46.2 Ų | 46.2 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.7 | -37.1 | 175.1 | -72.2 | 172.1 | 0 | 0 | 0 | 112.4 | K186 L187 L188 G192 R226 | K186-L190 WeakPolarHBondContact O-CG 3.17Å; K186-L190 PolarHBondContact O-N 3.05Å; K186-L190 VanDerWaalsContact O-N 3.1Å; L187-L190 HydrophobicContact CD2-CD1 4.4Å; L187-L190 WeakPolarHBondContact O-CB 3.3Å; L187-L190 PolarHBondContact O-N 2.99Å; L187-L190 VanDerWaalsContact O-N 3.16Å; L188-L190 VanDerWaalsContact C-N 3.25Å; L188-L190 PolarHBondContact O-N 3.32Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-R226 VanDerWaalsContact CD2-NH2 3.34Å |
| 191 | N | 87.7 | Confident | 88.6 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.6 | -19.1 | 178.7 | -161.4 | 48.2 | 0 | 0 | 0 | 113.1 | I145 L187 L188 D193 | I145-N191 HydrophobicContact CD1-CB 3.77Å; L187-N191 PolarHBondContact O-N 2.68Å; L188-N191 PolarHBondContact O-N 3.41Å; L188-N191 VanDerWaalsContact O-N 3.14Å; N191-D193 PolarHBondContact ND2-OD2 3.46Å |
| 192 | G | 85.3 | Confident | 88.6 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | 0.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L188 L190 L194 | L188-G192 PolarHBondContact O-N 3.26Å; L190-G192 VanDerWaalsContact C-N 3.31Å; G192-L194 PolarHBondContact O-N 3.41Å |
| 193 | D | 89.5 | Confident | 88.5 | Confident | 61 Ų | 61 | 51 Ų | 51 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | trans | -82.3 | 67.7 | -179.9 | -55.2 | -47 | 0 | 0 | 0 | 110.1 | L188 N191 E195 A197 | L188-D193 HydrophobicContact CB-CB 4.33Å; L188-D193 HydrophobicContact CD2-CB 3.89Å; L188-D193 PolarHBondContact O-N 2.87Å; N191-D193 PolarHBondContact ND2-OD2 3.46Å; D193-E195 VanDerWaalsContact C-N 3.33Å; D193-E195 PolarHBondContact O-N 3.18Å; D193-A197 PolarHBondContact O-N 3.33Å | ||
| 194 | L | 89.1 | Confident | 88.4 | Confident | 42 Ų | 42 | 50.3 Ų | 50.3 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.8 | -25.2 | -169.5 | -59.8 | 177.5 | 0 | 0 | 0 | 114 | G192 E198 R226 K227 | G192-L194 PolarHBondContact O-N 3.41Å; L194-E198 PolarHBondContact O-N 3.45Å; L194-R226 HydrophobicContact CD2-CB 3.93Å; L194-K227 HydrophobicContact CD1-CG 3.85Å |
| 195 | E | 88.8 | Confident | 87.9 | Confident | 155 Ų | 155 | 51.2 Ų | 51.2 | 72% | 0.724 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -75.1 | -49.9 | 179.6 | -65.8 | -178.2 | 173.3 | 0 | 0 | 110.8 | D193 A197 E198 E199 | D193-E195 VanDerWaalsContact C-N 3.33Å; D193-E195 PolarHBondContact O-N 3.18Å; E195-A197 VanDerWaalsContact C-N 3.27Å; E195-A197 PolarHBondContact O-N 3.44Å; E195-E198 WeakPolarHBondContact O-CB 3.46Å; E195-E198 PolarHBondContact O-N 3.33Å; E195-E199 PolarHBondContact O-N 3.34Å |
| 196 | E | 88.2 | Confident | 87.4 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.6 | -63.2 | -173.6 | 179.3 | 0 | 0 | 111.6 | L188 E198 E199 I200 | L188-E196 HydrophobicContact CD1-CB 4.1Å; E196-E198 VanDerWaalsContact C-N 3.29Å; E196-E198 PolarHBondContact O-N 3.26Å; E196-E199 PolarHBondContact O-N 3.06Å; E196-I200 WeakPolarHBondContact O-CD1 3.48Å; E196-I200 WeakPolarHBondContact O-CG1 3.27Å; E196-I200 PolarHBondContact O-N 2.97Å; E196-I200 VanDerWaalsContact O-N 3.07Å |
| 197 | A | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L188 Q189 D193 E195 L201 L223 | L188-A197 HydrophobicContact CB-CB 3.97Å; Q189-A197 HydrophobicContact CG-CB 3.77Å; D193-A197 PolarHBondContact O-N 3.33Å; E195-A197 VanDerWaalsContact C-N 3.27Å; E195-A197 PolarHBondContact O-N 3.44Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.43Å; A197-L201 PolarHBondContact O-N 3.45Å; A197-L201 VanDerWaalsContact O-N 3.15Å; A197-L223 HydrophobicContact CB-CD1 3.97Å |
| 198 | E | 88.9 | Confident | 85 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.6 | -40.2 | 177.5 | -171.8 | 168.1 | -155 | 0 | 0 | 111.5 | L194 E195 E196 L201 N202 L223 K227 | L194-E198 PolarHBondContact O-N 3.45Å; E195-E198 WeakPolarHBondContact O-CB 3.46Å; E195-E198 PolarHBondContact O-N 3.33Å; E196-E198 VanDerWaalsContact C-N 3.29Å; E196-E198 PolarHBondContact O-N 3.26Å; E198-L201 PolarHBondContact O-N 3.28Å; E198-N202 WeakPolarHBondContact O-CB 3.42Å; E198-N202 PolarHBondContact O-N 2.89Å; E198-N202 PolarHBondContact O-ND2 3Å; E198-N202 PolarHBondContact O-OD1 2.71Å; E198-L223 HydrophobicContact CB-CD1 3.88Å; E198-K227 IonicContact OE2-NZ 2.68Å; E198-K227 PolarHBondContact OE2-NZ 3.12Å |
| 199 | E | 89.6 | Confident | 83.8 | Confident | 126 Ų | 126 | 71.5 Ų | 71.5 | 59% | 0.589 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.8 | -48.8 | 174.4 | -69.6 | -176.4 | 170.1 | 0 | 0 | 111.4 | E195 E196 L201 N202 D203 | E195-E199 PolarHBondContact O-N 3.34Å; E196-E199 PolarHBondContact O-N 3.06Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.09Å; E199-N202 WeakPolarHBondContact O-CB 3.46Å; E199-N202 PolarHBondContact O-N 3.2Å; E199-N202 VanDerWaalsContact O-N 3.09Å; E199-D203 PolarHBondContact O-N 3.43Å |
| 200 | I | 87.3 | Confident | 82.8 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 178 | -66 | 157.1 | 0 | 0 | 0 | 111.4 | H181 L184 A185 L188 E196 N202 D203 L204 | H181-I200 HydrophobicContact CB-CG2 4.09Å; H181-I200 WeakPolarHBondContact O-CG2 3.34Å; L184-I200 HydrophobicContact CD2-CD1 3.49Å; L184-I200 VanDerWaalsContact CD2-CD1 3.49Å; L184-I200 HydrophobicContact CD2-CG1 4.4Å; L184-I200 HydrophobicContact CG-CD1 3.99Å; A185-I200 HydrophobicContact CB-CB 4.45Å; A185-I200 HydrophobicContact CB-CG2 4.11Å; L188-I200 HydrophobicContact CD1-CD1 3.33Å; E196-I200 WeakPolarHBondContact O-CD1 3.48Å; E196-I200 WeakPolarHBondContact O-CG1 3.27Å; E196-I200 PolarHBondContact O-N 2.97Å; E196-I200 VanDerWaalsContact O-N 3.07Å; I200-N202 VanDerWaalsContact C-N 3.32Å; I200-D203 PolarHBondContact O-N 3.31Å; I200-L204 HydrophobicContact CG2-CD1 4.32Å; I200-L204 HydrophobicContact CG2-CG 4.49Å; I200-L204 WeakPolarHBondContact O-CB 3.35Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.07Å; I200-L204 PolarHBondContact O-N 3.01Å |
| 201 | L | 87.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69 | -31 | 177.5 | -71.3 | 174.7 | 0 | 0 | 0 | 112.4 | L182 A185 A197 E198 E199 L204 S205 I216 A219 R220 L223 | L182-L201 HydrophobicContact CD1-CD2 4.34Å; A185-L201 HydrophobicContact CB-CD2 4.06Å; A185-L201 HydrophobicContact CB-CG 4.05Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.43Å; A197-L201 PolarHBondContact O-N 3.45Å; A197-L201 VanDerWaalsContact O-N 3.15Å; E198-L201 PolarHBondContact O-N 3.28Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.09Å; L201-L204 HydrophobicContact CD2-CD1 4.42Å; L201-S205 WeakPolarHBondContact O-CB 3.23Å; L201-S205 PolarHBondContact O-N 3.33Å; L201-S205 PolarHBondContact O-OG 3.12Å; L201-I216 HydrophobicContact CD2-CG2 4.42Å; L201-A219 HydrophobicContact CD1-CB 4.41Å; L201-A219 HydrophobicContact CD2-CB 3.92Å; L201-R220 HydrophobicContact CD1-CB 4.33Å; L201-L223 HydrophobicContact CD1-CD1 3.96Å |
| 202 | N | 87.4 | Confident | 81.1 | Confident | 56 Ų | 56 | 75 Ų | 75 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 173.5 | -69.3 | -20.8 | 0 | 0 | 0 | 110.8 | E198 E199 I200 S205 Q206 R220 | E198-N202 WeakPolarHBondContact O-CB 3.42Å; E198-N202 PolarHBondContact O-N 2.89Å; E198-N202 PolarHBondContact O-ND2 3Å; E198-N202 PolarHBondContact O-OD1 2.71Å; E199-N202 WeakPolarHBondContact O-CB 3.46Å; E199-N202 PolarHBondContact O-N 3.2Å; E199-N202 VanDerWaalsContact O-N 3.09Å; I200-N202 VanDerWaalsContact C-N 3.32Å; N202-S205 WeakPolarHBondContact CA-OG 3.43Å; N202-S205 PolarHBondContact O-N 3.2Å; N202-S205 VanDerWaalsContact O-N 3.13Å; N202-S205 PolarHBondContact O-OG 2.89Å; N202-Q206 PolarHBondContact O-N 3.2Å; N202-Q206 VanDerWaalsContact O-N 3.09Å; N202-R220 PolarHBondContact OD1-NH2 3.37Å |
| 203 | D | 85.7 | Confident | 80.9 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.8 | -71.1 | -10.3 | 0 | 0 | 0 | 111.6 | E199 I200 S205 Q206 Q207 | E199-D203 PolarHBondContact O-N 3.43Å; I200-D203 PolarHBondContact O-N 3.31Å; D203-S205 VanDerWaalsContact C-N 3.26Å; D203-S205 PolarHBondContact O-N 3.25Å; D203-Q206 PolarHBondContact O-N 3.12Å; D203-Q207 PolarHBondContact O-N 2.94Å |
| 204 | L | 83.5 | Confident | 80.3 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 174 | -76 | -178.8 | 0 | 0 | 0 | 112.3 | F178 H181 I200 L201 Q207 I216 | F178-L204 HydrophobicContact CD2-CD1 4.43Å; F178-L204 HydrophobicContact CD2-CD2 3.68Å; F178-L204 HydrophobicContact CE2-CD1 4.11Å; F178-L204 HydrophobicContact CE2-CD2 4.02Å; F178-L204 HydrophobicContact CE2-CG 4.47Å; H181-L204 HydrophobicContact CB-CD1 3.88Å; H181-L204 HydrophobicContact CB-CD2 3.77Å; H181-L204 HydrophobicContact CB-CG 4.05Å; I200-L204 HydrophobicContact CG2-CD1 4.32Å; I200-L204 HydrophobicContact CG2-CG 4.49Å; I200-L204 WeakPolarHBondContact O-CB 3.35Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.07Å; I200-L204 PolarHBondContact O-N 3.01Å; L201-L204 HydrophobicContact CD2-CD1 4.42Å; L204-Q207 PolarHBondContact O-N 3.31Å; L204-I216 HydrophobicContact CB-CD1 4.16Å; L204-I216 HydrophobicContact CB-CG1 4.49Å |
| 205 | S | 80.9 | Confident | 80 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 177.6 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | L201 N202 D203 Q207 H208 | L201-S205 WeakPolarHBondContact O-CB 3.23Å; L201-S205 PolarHBondContact O-N 3.33Å; L201-S205 PolarHBondContact O-OG 3.12Å; N202-S205 WeakPolarHBondContact CA-OG 3.43Å; N202-S205 PolarHBondContact O-N 3.2Å; N202-S205 VanDerWaalsContact O-N 3.13Å; N202-S205 PolarHBondContact O-OG 2.89Å; D203-S205 VanDerWaalsContact C-N 3.26Å; D203-S205 PolarHBondContact O-N 3.25Å; S205-Q207 VanDerWaalsContact C-N 3.31Å; S205-Q207 PolarHBondContact O-N 3.08Å; S205-H208 PolarHBondContact O-CD2 3.38Å; S205-H208 PolarHBondContact O-CE1 3.02Å; S205-H208 PolarHBondContact O-ND1 2.91Å; S205-H208 PolarHBondContact O-NE2 3.17Å; S205-H208 VanDerWaalsContact O-NE2 3.09Å |
| 206 | Q | 80.4 | Confident | 79.8 | Confident | 147 Ų | 147 | 67 Ų | 67 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.1 | -27.7 | 178.3 | -69.9 | 179.3 | 14.1 | 0 | 0 | 112.9 | N202 D203 H208 | N202-Q206 PolarHBondContact O-N 3.2Å; N202-Q206 VanDerWaalsContact O-N 3.09Å; D203-Q206 PolarHBondContact O-N 3.12Å; Q206-H208 PolarHBondContact O-N 3.17Å |
| 207 | Q | 71.9 | Confident | 79.7 | Confident | 145 Ų | 145 | 63.5 Ų | 63.5 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 33.1 | 178.9 | -64.5 | -178.7 | -2.3 | 0 | 0 | 112.9 | D203 L204 S205 D209 | D203-Q207 PolarHBondContact O-N 2.94Å; L204-Q207 PolarHBondContact O-N 3.31Å; S205-Q207 VanDerWaalsContact C-N 3.31Å; S205-Q207 PolarHBondContact O-N 3.08Å; Q207-D209 PolarHBondContact O-N 3.15Å |
| 208 | H | 57 | Low | 79.6 | Confident | 154 Ų | 154 | 64.9 Ų | 64.9 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | trans | -34.6 | 99.6 | -169 | -73.9 | -72.8 | 0 | 0 | 0 | 116.7 | S205 Q206 | S205-H208 PolarHBondContact O-CD2 3.38Å; S205-H208 PolarHBondContact O-CE1 3.02Å; S205-H208 PolarHBondContact O-ND1 2.91Å; S205-H208 PolarHBondContact O-NE2 3.17Å; S205-H208 VanDerWaalsContact O-NE2 3.09Å; Q206-H208 PolarHBondContact O-N 3.17Å | ||
| 209 | D | 65.3 | Low | 79.4 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | trans | -107.5 | 121.8 | 156.6 | -81.4 | -25.7 | 0 | 0 | 0 | 109.8 | Q207 V211 Q212 E213 | Q207-D209 PolarHBondContact O-N 3.15Å; D209-V211 PolarHBondContact O-N 3.44Å; D209-Q212 HydrophobicContact CB-CB 4.46Å; D209-Q212 HydrophobicContact CB-CG 4.43Å; D209-Q212 PolarHBondContact O-N 2.93Å; D209-Q212 VanDerWaalsContact O-N 3.07Å; D209-E213 PolarHBondContact O-N 3.45Å | ||
| 210 | E | 67.7 | Low | 79.5 | Confident | 160 Ų | 160 | 59 Ų | 59 | 75% | 0.748 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27 | 178.8 | -72 | -169.2 | 155.7 | 0 | 0 | 113.1 | ||
| 211 | V | 66.4 | Low | 79.6 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -36.2 | -176.8 | -154.8 | 0 | 0 | 0 | 0 | 111 | Q28 D209 W245 | Q28-V211 HydrophobicContact CB-CG1 3.7Å; Q28-V211 HydrophobicContact CG-CG1 4.29Å; Q28-V211 VanDerWaalsContact OE1-C 3.26Å; Q28-V211 VanDerWaalsContact OE1-CB 3.25Å; Q28-V211 PolarHBondContact OE1-O 3.42Å; D209-V211 PolarHBondContact O-N 3.44Å; V211-W245 PolarHBondContact O-NE1 2.96Å |
| 212 | Q | 73.1 | Confident | 79.6 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -16 | -174.1 | -67.2 | 173.3 | 7.7 | 0 | 0 | 113.6 | F178 D209 G214 Q215 I216 | F178-Q212 HydrophobicContact CD1-CB 4.46Å; F178-Q212 HydrophobicContact CD1-CG 4.02Å; F178-Q212 HydrophobicContact CD2-CB 4.34Å; F178-Q212 HydrophobicContact CD2-CG 4.35Å; F178-Q212 HydrophobicContact CE1-CB 4Å; F178-Q212 HydrophobicContact CE1-CG 3.98Å; F178-Q212 HydrophobicContact CE2-CB 3.87Å; F178-Q212 HydrophobicContact CE2-CG 4.33Å; F178-Q212 VanDerWaalsContact CG-CD 3.44Å; F178-Q212 HydrophobicContact CG-CG 4.2Å; F178-Q212 HydrophobicContact CZ-CB 3.69Å; F178-Q212 HydrophobicContact CZ-CG 4.16Å; D209-Q212 HydrophobicContact CB-CB 4.46Å; D209-Q212 HydrophobicContact CB-CG 4.43Å; D209-Q212 PolarHBondContact O-N 2.93Å; D209-Q212 VanDerWaalsContact O-N 3.07Å; Q212-G214 PolarHBondContact O-N 3.24Å; Q212-G214 VanDerWaalsContact O-N 3.09Å; Q212-Q215 PolarHBondContact O-N 2.85Å; Q212-I216 PolarHBondContact O-N 2.82Å |
| 213 | E | 80.3 | Confident | 79.7 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -44.6 | -45.5 | -179.4 | -173.8 | -171.8 | -159 | 0 | 0 | 112.9 | D209 Q215 I216 I217 K244 Y246 | D209-E213 PolarHBondContact O-N 3.45Å; E213-Q215 PolarHBondContact O-N 3.26Å; E213-I216 PolarHBondContact O-N 3.1Å; E213-I217 HydrophobicContact CG-CD1 3.79Å; E213-I217 HydrophobicContact CG-CG1 4.48Å; E213-I217 WeakPolarHBondContact O-CG1 3.45Å; E213-I217 PolarHBondContact O-N 3.13Å; E213-K244 IonicContact OE1-NZ 2.98Å; E213-K244 IonicContact OE2-NZ 3.97Å; E213-K244 PolarHBondContact OE2-NZ 2.87Å; E213-Y246 PolarHBondContact OE2-OH 2.91Å |
| 214 | G | 78.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q212 I216 I217 L218 | Q212-G214 PolarHBondContact O-N 3.24Å; Q212-G214 VanDerWaalsContact O-N 3.09Å; G214-I216 PolarHBondContact O-N 2.89Å; G214-I217 PolarHBondContact O-N 3.46Å; G214-L218 VanDerWaalsContact O-CG 3.25Å; G214-L218 WeakPolarHBondContact O-CG 3.15Å; G214-L218 PolarHBondContact O-N 3.29Å; G214-L218 VanDerWaalsContact O-N 3.09Å |
| 215 | Q | 82 | Confident | 80.1 | Confident | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70 | -35.6 | -178 | -61.5 | -173.8 | 5.9 | 0 | 0 | 111.7 | F178 L182 Q212 E213 A219 W245 | F178-Q215 HydrophobicContact CE1-CB 4.33Å; F178-Q215 HydrophobicContact CZ-CB 4.29Å; L182-Q215 HydrophobicContact CD2-CB 3.95Å; Q212-Q215 PolarHBondContact O-N 2.85Å; E213-Q215 PolarHBondContact O-N 3.26Å; Q215-A219 WeakPolarHBondContact O-CB 3.45Å; Q215-A219 PolarHBondContact O-N 3.34Å; Q215-W245 HydrophobicContact CG-CH2 4.34Å |
| 216 | I | 85.3 | Confident | 80.3 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 175.6 | -56.1 | 172.5 | 0 | 0 | 0 | 110 | F178 L201 L204 Q212 E213 G214 L218 A219 R220 | F178-I216 HydrophobicContact CE2-CD1 3.85Å; F178-I216 HydrophobicContact CE2-CG1 3.71Å; F178-I216 HydrophobicContact CZ-CD1 4.31Å; F178-I216 HydrophobicContact CZ-CG1 3.75Å; L201-I216 HydrophobicContact CD2-CG2 4.42Å; L204-I216 HydrophobicContact CB-CD1 4.16Å; L204-I216 HydrophobicContact CB-CG1 4.49Å; Q212-I216 PolarHBondContact O-N 2.82Å; E213-I216 PolarHBondContact O-N 3.1Å; G214-I216 PolarHBondContact O-N 2.89Å; I216-L218 VanDerWaalsContact C-N 3.35Å; I216-L218 PolarHBondContact O-N 3.36Å; I216-A219 PolarHBondContact O-N 2.94Å; I216-R220 VanDerWaalsContact O-CB 3.32Å; I216-R220 WeakPolarHBondContact O-CB 3.04Å; I216-R220 PolarHBondContact O-N 3.29Å |
| 217 | I | 86.1 | Confident | 80.7 | Confident | 32 Ų | 32 | 57.2 Ų | 57.2 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 179.5 | -68.9 | 169.8 | 0 | 0 | 0 | 111.1 | E213 G214 R220 C221 I240 Y246 | E213-I217 HydrophobicContact CG-CD1 3.79Å; E213-I217 HydrophobicContact CG-CG1 4.48Å; E213-I217 WeakPolarHBondContact O-CG1 3.45Å; E213-I217 PolarHBondContact O-N 3.13Å; G214-I217 PolarHBondContact O-N 3.46Å; I217-R220 PolarHBondContact O-N 3.08Å; I217-C221 WeakPolarHBondContact O-CB 3.21Å; I217-C221 PolarHBondContact O-N 3.17Å; I217-I240 HydrophobicContact CG2-CD1 4.02Å; I217-Y246 HydrophobicContact CD1-CE2 4.05Å; I217-Y246 WeakPolarHBondContact CD1-OH 3.48Å |
| 218 | L | 85.8 | Confident | 81.2 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | 178.1 | -61.1 | 174 | 0 | 0 | 0 | 111.5 | G214 I216 R220 C221 D222 L237 Q249 I253 | G214-L218 VanDerWaalsContact O-CG 3.25Å; G214-L218 WeakPolarHBondContact O-CG 3.15Å; G214-L218 PolarHBondContact O-N 3.29Å; G214-L218 VanDerWaalsContact O-N 3.09Å; I216-L218 VanDerWaalsContact C-N 3.35Å; I216-L218 PolarHBondContact O-N 3.36Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 2.89Å; L218-C221 WeakPolarHBondContact O-CB 3.47Å; L218-C221 PolarHBondContact O-N 3.2Å; L218-D222 PolarHBondContact O-N 3.38Å; L218-L237 HydrophobicContact CD2-CD2 4.33Å; L218-Q249 HydrophobicContact CD1-CG 4.03Å; L218-I253 HydrophobicContact CD2-CD1 3.46Å; L218-I253 VanDerWaalsContact CD2-CD1 3.46Å; L218-I253 HydrophobicContact CG-CD1 4.34Å |
| 219 | A | 86.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -33.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L182 Q189 L201 Q215 I216 L223 | L182-A219 HydrophobicContact CD1-CB 3.86Å; Q189-A219 PolarHBondContact NE2-O 2.96Å; Q189-A219 VanDerWaalsContact NE2-O 3.13Å; L201-A219 HydrophobicContact CD1-CB 4.41Å; L201-A219 HydrophobicContact CD2-CB 3.92Å; Q215-A219 WeakPolarHBondContact O-CB 3.45Å; Q215-A219 PolarHBondContact O-N 3.34Å; I216-A219 PolarHBondContact O-N 2.94Å; A219-L223 PolarHBondContact O-N 3.37Å; A219-L223 VanDerWaalsContact O-N 3.1Å |
| 220 | R | 90 | Very high | 83.9 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.3 | -36.1 | 173.9 | -175.1 | 178.5 | -90.5 | 163.5 | -2.6 | 111.6 | L201 N202 I216 I217 L218 L223 F224 L236 | L201-R220 HydrophobicContact CD1-CB 4.33Å; N202-R220 PolarHBondContact OD1-NH2 3.37Å; I216-R220 VanDerWaalsContact O-CB 3.32Å; I216-R220 WeakPolarHBondContact O-CB 3.04Å; I216-R220 PolarHBondContact O-N 3.29Å; I217-R220 PolarHBondContact O-N 3.08Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 2.89Å; R220-L223 WeakPolarHBondContact O-CB 3.18Å; R220-L223 PolarHBondContact O-N 3.12Å; R220-F224 HydrophobicContact CG-CD2 3.98Å; R220-F224 HydrophobicContact CG-CE2 3.5Å; R220-F224 HydrophobicContact CG-CZ 4.33Å; R220-F224 WeakPolarHBondContact O-CD2 3.32Å; R220-F224 PolarHBondContact O-N 2.89Å; R220-L236 HydrophobicContact CG-CD1 4.12Å |
| 221 | C | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 171.3 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | I217 L218 L223 F224 L225 L237 | I217-C221 WeakPolarHBondContact O-CB 3.21Å; I217-C221 PolarHBondContact O-N 3.17Å; L218-C221 WeakPolarHBondContact O-CB 3.47Å; L218-C221 PolarHBondContact O-N 3.2Å; C221-L223 VanDerWaalsContact C-N 3.32Å; C221-L223 PolarHBondContact O-N 3.2Å; C221-F224 PolarHBondContact O-N 3.06Å; C221-L225 WeakPolarHBondContact O-CG 3.48Å; C221-L225 PolarHBondContact O-N 3.4Å; C221-L237 HydrophobicContact CB-CD2 4.48Å |
| 222 | D | 88 | Confident | 86 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.8 | -40.3 | 176.5 | -71 | -22.5 | 0 | 0 | 0 | 112.1 | L218 F224 L225 R226 | L218-D222 PolarHBondContact O-N 3.38Å; D222-F224 PolarHBondContact O-N 3.49Å; D222-L225 PolarHBondContact O-N 2.91Å; D222-R226 WeakPolarHBondContact O-CG 3.41Å; D222-R226 PolarHBondContact O-N 2.75Å |
| 223 | L | 89.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 173.7 | -174.7 | 147.9 | 0 | 0 | 0 | 112 | Q189 A197 E198 L201 A219 R220 C221 L225 R226 K227 | Q189-L223 HydrophobicContact CG-CB 4.42Å; Q189-L223 HydrophobicContact CG-CD1 4.38Å; A197-L223 HydrophobicContact CB-CD1 3.97Å; E198-L223 HydrophobicContact CB-CD1 3.88Å; L201-L223 HydrophobicContact CD1-CD1 3.96Å; A219-L223 PolarHBondContact O-N 3.37Å; A219-L223 VanDerWaalsContact O-N 3.1Å; R220-L223 WeakPolarHBondContact O-CB 3.18Å; R220-L223 PolarHBondContact O-N 3.12Å; C221-L223 VanDerWaalsContact C-N 3.32Å; C221-L223 PolarHBondContact O-N 3.2Å; L223-L225 PolarHBondContact O-N 3.45Å; L223-R226 PolarHBondContact O-N 3.47Å; L223-K227 HydrophobicContact CD2-CD 3.79Å; L223-K227 HydrophobicContact CD2-CG 4.32Å; L223-K227 PolarHBondContact O-N 3.27Å |
| 224 | F | 89.9 | Confident | 87.2 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -36.6 | 176.8 | -75 | -54.3 | 0 | 0 | 0 | 112.9 | R220 C221 D222 R226 K227 N228 D229 K232 A233 L236 | R220-F224 HydrophobicContact CG-CD2 3.98Å; R220-F224 HydrophobicContact CG-CE2 3.5Å; R220-F224 HydrophobicContact CG-CZ 4.33Å; R220-F224 WeakPolarHBondContact O-CD2 3.32Å; R220-F224 PolarHBondContact O-N 2.89Å; C221-F224 PolarHBondContact O-N 3.06Å; D222-F224 PolarHBondContact O-N 3.49Å; F224-R226 VanDerWaalsContact C-N 3.33Å; F224-K227 CarbonylContact O-C 3.51Å; F224-K227 PolarHBondContact O-N 3.08Å; F224-N228 PolarHBondContact O-N 3.13Å; F224-D229 HydrophobicContact CB-CB 4.45Å; F224-D229 HydrophobicContact CD1-CB 4.2Å; F224-D229 PolarHBondContact O-N 2.9Å; F224-K232 HydrophobicContact CD1-CB 4.13Å; F224-K232 HydrophobicContact CD1-CD 4.06Å; F224-K232 HydrophobicContact CD2-CB 4.44Å; F224-K232 HydrophobicContact CE1-CB 4.45Å; F224-K232 HydrophobicContact CE1-CD 3.88Å; F224-K232 HydrophobicContact CG-CB 4.15Å; F224-A233 HydrophobicContact CB-CB 4.03Å; F224-L236 HydrophobicContact CD2-CD1 3.53Å; F224-L236 HydrophobicContact CE2-CD1 3.38Å |
| 225 | L | 87.7 | Confident | 87.7 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 173.2 | -67.7 | 175.5 | 0 | 0 | 0 | 111.4 | C221 D222 L223 N228 V230 A233 I257 | C221-L225 WeakPolarHBondContact O-CG 3.48Å; C221-L225 PolarHBondContact O-N 3.4Å; D222-L225 PolarHBondContact O-N 2.91Å; L223-L225 PolarHBondContact O-N 3.45Å; L225-N228 PolarHBondContact O-N 2.82Å; L225-N228 VanDerWaalsContact O-N 3.08Å; L225-V230 HydrophobicContact CD2-CG2 4.47Å; L225-A233 HydrophobicContact CD2-CB 3.96Å; L225-A233 HydrophobicContact CG-CB 4.15Å; L225-I257 HydrophobicContact CD1-CD1 3.96Å; L225-I257 HydrophobicContact CD1-CG1 3.95Å; L225-I257 HydrophobicContact CD2-CD1 4.03Å; L225-I257 HydrophobicContact CD2-CG1 4.02Å; L225-I257 HydrophobicContact CD2-CG2 4.32Å; L225-I257 HydrophobicContact CG-CD1 4.41Å |
| 226 | R | 86.1 | Confident | 88.1 | Confident | 135 Ų | 135 | 50 Ų | 50 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.3 | -34.3 | 174.2 | -71.1 | -71.6 | -178 | 132.7 | -8.8 | 113 | Q189 L190 L194 D222 L223 F224 N228 | Q189-R226 PolarHBondContact O-NH1 3.48Å; L190-R226 VanDerWaalsContact CD2-NH2 3.34Å; L194-R226 HydrophobicContact CD2-CB 3.93Å; D222-R226 WeakPolarHBondContact O-CG 3.41Å; D222-R226 PolarHBondContact O-N 2.75Å; L223-R226 PolarHBondContact O-N 3.47Å; F224-R226 VanDerWaalsContact C-N 3.33Å; R226-N228 PolarHBondContact O-N 2.96Å |
| 227 | K | 87.7 | Confident | 88.2 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 27% | 0.274 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 1.1 | 170.9 | -70.5 | -172.5 | 177.8 | -168.8 | 0 | 113.8 | L194 E198 L223 F224 D229 | L194-K227 HydrophobicContact CD1-CG 3.85Å; E198-K227 IonicContact OE2-NZ 2.68Å; E198-K227 PolarHBondContact OE2-NZ 3.12Å; L223-K227 HydrophobicContact CD2-CD 3.79Å; L223-K227 HydrophobicContact CD2-CG 4.32Å; L223-K227 PolarHBondContact O-N 3.27Å; F224-K227 CarbonylContact O-C 3.51Å; F224-K227 PolarHBondContact O-N 3.08Å; K227-D229 PolarHBondContact O-N 2.95Å |
| 228 | N | 84.3 | Confident | 88.3 | Confident | 129 Ų | 129 | 50.8 Ų | 50.8 | 69% | 0.69 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 15.3 | -171.8 | -72.7 | -37.1 | 0 | 0 | 0 | 115.2 | F224 L225 R226 V230 | F224-N228 PolarHBondContact O-N 3.13Å; L225-N228 PolarHBondContact O-N 2.82Å; L225-N228 VanDerWaalsContact O-N 3.08Å; R226-N228 PolarHBondContact O-N 2.96Å; N228-V230 VanDerWaalsContact C-N 3.29Å; N228-V230 PolarHBondContact O-N 3.5Å |
| 229 | D | 89.5 | Confident | 88.4 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | trans | -86.9 | 60.6 | 178.9 | -89.1 | -14.6 | 0 | 0 | 0 | 111.6 | F224 K227 N231 K232 A233 | F224-D229 HydrophobicContact CB-CB 4.45Å; F224-D229 HydrophobicContact CD1-CB 4.2Å; F224-D229 PolarHBondContact O-N 2.9Å; K227-D229 PolarHBondContact O-N 2.95Å; D229-N231 PolarHBondContact O-N 2.81Å; D229-N231 VanDerWaalsContact O-N 3.13Å; D229-K232 HydrophobicContact CB-CB 4.33Å; D229-K232 HydrophobicContact CB-CD 4.1Å; D229-K232 HydrophobicContact CB-CG 4.36Å; D229-K232 PolarHBondContact O-N 3.47Å; D229-K232 VanDerWaalsContact O-N 3.09Å; D229-K232 WeakPolarHBondContact OD2-CE 3.32Å; D229-K232 IonicContact OD2-NZ 2.69Å; D229-K232 PolarHBondContact OD2-NZ 3.4Å; D229-A233 PolarHBondContact O-N 3.04Å | ||
| 230 | V | 88.4 | Confident | 88.4 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.1 | -35.4 | -174.1 | -177.7 | 0 | 0 | 0 | 0 | 112.9 | L225 N228 A233 L234 I257 H261 | L225-V230 HydrophobicContact CD2-CG2 4.47Å; N228-V230 VanDerWaalsContact C-N 3.29Å; N228-V230 PolarHBondContact O-N 3.5Å; V230-A233 PolarHBondContact O-N 2.92Å; V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 HydrophobicContact CG1-CG 4.49Å; V230-L234 WeakPolarHBondContact O-CG 3.25Å; V230-L234 PolarHBondContact O-N 3.29Å; V230-I257 HydrophobicContact CG1-CG2 3.65Å; V230-H261 HydrophobicContact CG1-CB 4.1Å; V230-H261 HydrophobicContact CG2-CB 4.21Å |
| 231 | N | 88.8 | Confident | 88.1 | Confident | 111 Ų | 111 | 55.7 Ų | 55.7 | 59% | 0.594 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -71 | -34.6 | -179 | -67.8 | -39 | 0 | 0 | 0 | 112.7 | D229 L234 H235 K262 | D229-N231 PolarHBondContact O-N 2.81Å; D229-N231 VanDerWaalsContact O-N 3.13Å; N231-L234 PolarHBondContact O-N 3.24Å; N231-H235 WeakPolarHBondContact O-CB 3.13Å; N231-H235 PolarHBondContact O-N 2.9Å; N231-K262 PolarHBondContact OD1-NZ 2.85Å |
| 232 | K | 89.2 | Confident | 87.7 | Confident | 110 Ų | 110 | 58.1 Ų | 58.1 | 48% | 0.478 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 174.9 | -67.3 | -178 | -173.2 | 158.2 | 0 | 110.8 | F224 D229 L234 H235 L236 | F224-K232 HydrophobicContact CD1-CB 4.13Å; F224-K232 HydrophobicContact CD1-CD 4.06Å; F224-K232 HydrophobicContact CD2-CB 4.44Å; F224-K232 HydrophobicContact CE1-CB 4.45Å; F224-K232 HydrophobicContact CE1-CD 3.88Å; F224-K232 HydrophobicContact CG-CB 4.15Å; D229-K232 HydrophobicContact CB-CB 4.33Å; D229-K232 HydrophobicContact CB-CD 4.1Å; D229-K232 HydrophobicContact CB-CG 4.36Å; D229-K232 PolarHBondContact O-N 3.47Å; D229-K232 VanDerWaalsContact O-N 3.09Å; D229-K232 WeakPolarHBondContact OD2-CE 3.32Å; D229-K232 IonicContact OD2-NZ 2.69Å; D229-K232 PolarHBondContact OD2-NZ 3.4Å; K232-L234 PolarHBondContact O-N 3.46Å; K232-H235 PolarHBondContact O-N 3.47Å; K232-L236 WeakPolarHBondContact O-CG 3.5Å; K232-L236 PolarHBondContact O-N 2.94Å |
| 233 | A | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F224 L225 D229 V230 H235 L236 L237 I257 | F224-A233 HydrophobicContact CB-CB 4.03Å; L225-A233 HydrophobicContact CD2-CB 3.96Å; L225-A233 HydrophobicContact CG-CB 4.15Å; D229-A233 PolarHBondContact O-N 3.04Å; V230-A233 PolarHBondContact O-N 2.92Å; A233-H235 PolarHBondContact O-N 3.45Å; A233-L236 PolarHBondContact O-N 3.29Å; A233-L237 WeakPolarHBondContact O-CG 3.37Å; A233-L237 PolarHBondContact O-N 3.43Å; A233-L237 VanDerWaalsContact O-N 3.11Å; A233-I257 HydrophobicContact CB-CD1 4.42Å |
| 234 | L | 89.2 | Confident | 87 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.8 | -71.9 | 174 | 0 | 0 | 0 | 112.9 | V230 N231 K232 L237 S238 M254 I257 Y258 K262 | V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 HydrophobicContact CG1-CG 4.49Å; V230-L234 WeakPolarHBondContact O-CG 3.25Å; V230-L234 PolarHBondContact O-N 3.29Å; N231-L234 PolarHBondContact O-N 3.24Å; K232-L234 PolarHBondContact O-N 3.46Å; L234-L237 PolarHBondContact O-N 3.31Å; L234-S238 VanDerWaalsContact O-CB 3.29Å; L234-S238 WeakPolarHBondContact O-CB 3.49Å; L234-S238 PolarHBondContact O-N 3.34Å; L234-S238 PolarHBondContact O-OG 3.08Å; L234-M254 HydrophobicContact CD2-CG 3.72Å; L234-I257 HydrophobicContact CD1-CG2 4.4Å; L234-I257 HydrophobicContact CD2-CB 4.12Å; L234-I257 HydrophobicContact CD2-CD1 4.44Å; L234-I257 HydrophobicContact CD2-CG2 3.74Å; L234-I257 HydrophobicContact CG-CG2 4.02Å; L234-Y258 HydrophobicContact CD1-CE1 3.89Å; L234-Y258 HydrophobicContact CD2-CD2 4.22Å; L234-Y258 HydrophobicContact CD2-CE1 4.35Å; L234-Y258 HydrophobicContact CD2-CE2 3.81Å; L234-K262 HydrophobicContact CD1-CD 3.91Å |
| 235 | H | 90.3 | Very high | 86.5 | Confident | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.8 | -50.5 | 176.5 | -168.7 | -83.2 | 0 | 0 | 0 | 110.9 | N231 K232 A233 L237 S238 E239 | N231-H235 WeakPolarHBondContact O-CB 3.13Å; N231-H235 PolarHBondContact O-N 2.9Å; K232-H235 PolarHBondContact O-N 3.47Å; A233-H235 PolarHBondContact O-N 3.45Å; H235-L237 VanDerWaalsContact C-N 3.33Å; H235-L237 PolarHBondContact O-N 2.92Å; H235-S238 PolarHBondContact O-N 3.45Å; H235-S238 PolarHBondContact O-OG 3.25Å; H235-E239 IonicContact CE1-OE1 2.75Å; H235-E239 PolarHBondContact CE1-OE1 3.4Å; H235-E239 IonicContact CE1-OE2 2.81Å; H235-E239 VanDerWaalsContact ND1-CD 3.34Å; H235-E239 IonicContact ND1-OE1 2.56Å; H235-E239 PolarHBondContact ND1-OE1 2.89Å; H235-E239 IonicContact ND1-OE2 3.96Å; H235-E239 PolarHBondContact ND1-OE2 3.47Å; H235-E239 WeakPolarHBondContact O-CG 3.47Å; H235-E239 PolarHBondContact O-N 3.11Å; H235-E239 VanDerWaalsContact O-N 3.14Å |
| 236 | L | 89.3 | Confident | 86.2 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.3 | -43.8 | 177.6 | -76.1 | 179.1 | 0 | 0 | 0 | 112.9 | R220 F224 K232 A233 S238 | R220-L236 HydrophobicContact CG-CD1 4.12Å; F224-L236 HydrophobicContact CD2-CD1 3.53Å; F224-L236 HydrophobicContact CE2-CD1 3.38Å; K232-L236 WeakPolarHBondContact O-CG 3.5Å; K232-L236 PolarHBondContact O-N 2.94Å; A233-L236 PolarHBondContact O-N 3.29Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 2.9Å |
| 237 | L | 88.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.3 | -28.1 | 178.3 | -65.9 | 175.1 | 0 | 0 | 0 | 112.6 | L218 C221 A233 L234 H235 I240 A250 I253 M254 I257 | L218-L237 HydrophobicContact CD2-CD2 4.33Å; C221-L237 HydrophobicContact CB-CD2 4.48Å; A233-L237 WeakPolarHBondContact O-CG 3.37Å; A233-L237 PolarHBondContact O-N 3.43Å; A233-L237 VanDerWaalsContact O-N 3.11Å; L234-L237 PolarHBondContact O-N 3.31Å; H235-L237 VanDerWaalsContact C-N 3.33Å; H235-L237 PolarHBondContact O-N 2.92Å; L237-I240 HydrophobicContact CD2-CD1 4.06Å; L237-A250 HydrophobicContact CD2-CB 3.92Å; L237-I253 HydrophobicContact CD1-CB 4.31Å; L237-I253 HydrophobicContact CD1-CG2 3.89Å; L237-M254 HydrophobicContact CB-CB 4.2Å; L237-M254 HydrophobicContact CB-CG 4.39Å; L237-M254 HydrophobicContact CB-SD 4.32Å; L237-M254 HydrophobicContact CD1-CB 3.84Å; L237-M254 HydrophobicContact CD1-CG 4.43Å; L237-I257 HydrophobicContact CD1-CD1 3.64Å |
| 238 | S | 86.5 | Confident | 85.7 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.5 | -27.6 | -179.8 | 73.9 | 0 | 0 | 0 | 0 | 113.8 | L234 H235 L236 I240 | L234-S238 VanDerWaalsContact O-CB 3.29Å; L234-S238 WeakPolarHBondContact O-CB 3.49Å; L234-S238 PolarHBondContact O-N 3.34Å; L234-S238 PolarHBondContact O-OG 3.08Å; H235-S238 PolarHBondContact O-N 3.45Å; H235-S238 PolarHBondContact O-OG 3.25Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 2.9Å; S238-I240 VanDerWaalsContact C-N 3.26Å; S238-I240 PolarHBondContact O-N 3.3Å |
| 239 | E | 88.1 | Confident | 85.6 | Confident | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.584 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -74.3 | -13.6 | 179.1 | -72.4 | 177.9 | 135.8 | 0 | 0 | 113.4 | H235 S241 | H235-E239 IonicContact CE1-OE1 2.75Å; H235-E239 PolarHBondContact CE1-OE1 3.4Å; H235-E239 IonicContact CE1-OE2 2.81Å; H235-E239 VanDerWaalsContact ND1-CD 3.34Å; H235-E239 IonicContact ND1-OE1 2.56Å; H235-E239 PolarHBondContact ND1-OE1 2.89Å; H235-E239 IonicContact ND1-OE2 3.96Å; H235-E239 PolarHBondContact ND1-OE2 3.47Å; H235-E239 WeakPolarHBondContact O-CG 3.47Å; H235-E239 PolarHBondContact O-N 3.11Å; H235-E239 VanDerWaalsContact O-N 3.14Å; E239-S241 PolarHBondContact O-N 3.34Å |
| 240 | I | 86.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | trans | -71.8 | 119.6 | -176.8 | -57.5 | 165.4 | 0 | 0 | 0 | 110.4 | I217 L237 S238 K244 Y246 Y247 A250 | I217-I240 HydrophobicContact CG2-CD1 4.02Å; L237-I240 HydrophobicContact CD2-CD1 4.06Å; S238-I240 VanDerWaalsContact C-N 3.26Å; S238-I240 PolarHBondContact O-N 3.3Å; I240-K244 HydrophobicContact CG2-CB 4.26Å; I240-Y246 HydrophobicContact CB-CE2 4.47Å; I240-Y246 HydrophobicContact CD1-CD2 4.25Å; I240-Y246 HydrophobicContact CD1-CE2 3.88Å; I240-Y246 HydrophobicContact CG1-CE2 4.06Å; I240-Y246 HydrophobicContact CG2-CD2 4.08Å; I240-Y246 HydrophobicContact CG2-CE2 3.55Å; I240-Y247 HydrophobicContact CG2-CD2 4.17Å; I240-A250 HydrophobicContact CD1-CB 3.42Å; I240-A250 VanDerWaalsContact CD1-CB 3.42Å | ||
| 241 | S | 83.8 | Confident | 85.5 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | trans | -67.3 | 150.6 | 175.8 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | E239 D243 K244 Y247 | E239-S241 PolarHBondContact O-N 3.34Å; S241-D243 PolarHBondContact O-N 3.33Å; S241-K244 PolarHBondContact O-N 3.24Å; S241-K244 WeakPolarHBondContact OG-CG 3.31Å; S241-Y247 WeakPolarHBondContact O-CD2 3.33Å | ||
| 242 | S | 81.3 | Confident | 85.3 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.4 | 178.7 | 46.5 | 0 | 0 | 0 | 0 | 115 | ||
| 243 | D | 79.8 | Confident | 85.1 | Confident | 143 Ų | 143 | 48.5 Ų | 48.5 | 77% | 0.765 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.6 | -167.6 | -45.3 | -21.7 | 0 | 0 | 0 | 112 | S241 | S241-D243 PolarHBondContact O-N 3.33Š|
| 244 | K | 83 | Confident | 85.1 | Confident | 64 Ų | 64 | 49 Ų | 49 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -81.6 | 139.5 | -179.2 | -63.9 | -77 | -175.3 | 164.1 | 0 | 110.3 | E213 I240 S241 Y246 Y247 | E213-K244 IonicContact OE1-NZ 2.98Å; E213-K244 IonicContact OE2-NZ 3.97Å; E213-K244 PolarHBondContact OE2-NZ 2.87Å; I240-K244 HydrophobicContact CG2-CB 4.26Å; S241-K244 PolarHBondContact O-N 3.24Å; S241-K244 WeakPolarHBondContact OG-CG 3.31Å; K244-Y246 HydrophobicContact CB-CD1 4.17Å; K244-Y246 HydrophobicContact CB-CE1 3.79Å; K244-Y246 HydrophobicContact CB-CE2 4.36Å; K244-Y246 HydrophobicContact CD-CE1 4.12Å; K244-Y246 HydrophobicContact CG-CE1 4.26Å; K244-Y246 PolarHBondContact O-N 2.93Å; K244-Y247 WeakPolarHBondContact O-CB 3.1Å; K244-Y247 PolarHBondContact O-N 2.83Å |
| 245 | W | 78.2 | Confident | 85 | Confident | 95 Ų | 95 | 48.5 Ų | 48.5 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30 | -175.8 | 66.4 | -96.8 | 0 | 0 | 0 | 113.7 | K29 V211 Q215 Y247 | K29-W245 HydrophobicContact CG-CB 4.24Å; K29-W245 HydrophobicContact CG-CG 4.28Å; V211-W245 PolarHBondContact O-NE1 2.96Å; Q215-W245 HydrophobicContact CG-CH2 4.34Å; W245-Y247 VanDerWaalsContact C-N 3.34Å |
| 246 | Y | 81.2 | Confident | 84.8 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.8 | 179.5 | 56.5 | -89.3 | 0 | 0 | 0 | 113.6 | E213 I217 I240 K244 V248 Q249 A250 | E213-Y246 PolarHBondContact OE2-OH 2.91Å; I217-Y246 HydrophobicContact CD1-CE2 4.05Å; I217-Y246 WeakPolarHBondContact CD1-OH 3.48Å; I240-Y246 HydrophobicContact CB-CE2 4.47Å; I240-Y246 HydrophobicContact CD1-CD2 4.25Å; I240-Y246 HydrophobicContact CD1-CE2 3.88Å; I240-Y246 HydrophobicContact CG1-CE2 4.06Å; I240-Y246 HydrophobicContact CG2-CD2 4.08Å; I240-Y246 HydrophobicContact CG2-CE2 3.55Å; K244-Y246 HydrophobicContact CB-CD1 4.17Å; K244-Y246 HydrophobicContact CB-CE1 3.79Å; K244-Y246 HydrophobicContact CB-CE2 4.36Å; K244-Y246 HydrophobicContact CD-CE1 4.12Å; K244-Y246 HydrophobicContact CG-CE1 4.26Å; K244-Y246 PolarHBondContact O-N 2.93Å; Y246-V248 VanDerWaalsContact C-N 3.3Å; Y246-V248 PolarHBondContact O-N 3.41Å; Y246-Q249 PolarHBondContact O-N 3.11Å; Y246-Q249 VanDerWaalsContact O-N 3.14Å; Y246-A250 WeakPolarHBondContact O-CB 3.36Å; Y246-A250 PolarHBondContact O-N 3.45Å |
| 247 | Y | 84.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.3 | -42.9 | -178.7 | 175.9 | -100.5 | 0 | 0 | 0 | 112.6 | I240 S241 K244 W245 Q249 A250 R251 Y274 | I240-Y247 HydrophobicContact CG2-CD2 4.17Å; S241-Y247 WeakPolarHBondContact O-CD2 3.33Å; K244-Y247 WeakPolarHBondContact O-CB 3.1Å; K244-Y247 PolarHBondContact O-N 2.83Å; W245-Y247 VanDerWaalsContact C-N 3.34Å; Y247-Q249 VanDerWaalsContact C-N 3.34Å; Y247-Q249 PolarHBondContact O-N 2.92Å; Y247-A250 PolarHBondContact O-N 3.1Å; Y247-R251 HydrophobicContact CD1-CG 4.28Å; Y247-R251 HydrophobicContact CD2-CG 4.43Å; Y247-R251 HydrophobicContact CE1-CG 3.91Å; Y247-R251 HydrophobicContact CE2-CG 4.09Å; Y247-R251 VanDerWaalsContact CE2-NE 3.26Å; Y247-R251 VanDerWaalsContact CZ-NE 3.28Å; Y247-R251 VanDerWaalsContact O-CG 3.31Å; Y247-R251 WeakPolarHBondContact O-CG 3.34Å; Y247-R251 PolarHBondContact O-N 3.31Å; Y247-R251 PolarHBondContact OH-NE 3.24Å; Y247-R251 VanDerWaalsContact OH-NE 3.13Å; Y247-R251 PolarHBondContact OH-NH2 3.09Å; Y247-Y274 WeakPolarHBondContact OH-CD1 3.49Å; Y247-Y274 WeakPolarHBondContact OH-CE1 3.37Å |
| 248 | V | 79.8 | Confident | 84.7 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Y246 R251 K252 I284 | Y246-V248 VanDerWaalsContact C-N 3.3Å; Y246-V248 PolarHBondContact O-N 3.41Å; V248-R251 PolarHBondContact O-N 3.36Å; V248-K252 WeakPolarHBondContact O-CG 3.43Å; V248-K252 PolarHBondContact O-N 3.5Å; V248-I284 HydrophobicContact CB-CG1 4.42Å; V248-I284 HydrophobicContact CG1-CD1 4.45Å; V248-I284 HydrophobicContact CG1-CG1 3.77Å; V248-I284 HydrophobicContact CG2-CD1 3.79Å; V248-I284 HydrophobicContact CG2-CG1 3.98Å |
| 249 | Q | 82.5 | Confident | 84.6 | Confident | 93 Ų | 93 | 47 Ų | 47 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 179.5 | -170.9 | 65.2 | 3.1 | 0 | 0 | 111.5 | L218 Y246 Y247 R251 K252 I253 | L218-Q249 HydrophobicContact CD1-CG 4.03Å; Y246-Q249 PolarHBondContact O-N 3.11Å; Y246-Q249 VanDerWaalsContact O-N 3.14Å; Y247-Q249 VanDerWaalsContact C-N 3.34Å; Y247-Q249 PolarHBondContact O-N 2.92Å; Q249-R251 VanDerWaalsContact C-N 3.33Å; Q249-R251 PolarHBondContact O-N 2.98Å; Q249-K252 WeakPolarHBondContact O-CB 3.5Å; Q249-K252 PolarHBondContact O-N 2.91Å; Q249-I253 HydrophobicContact CG-CD1 4.49Å; Q249-I253 WeakPolarHBondContact O-CG1 3.48Å; Q249-I253 PolarHBondContact O-N 3.38Å |
| 250 | A | 87.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L237 I240 Y246 Y247 I253 M254 | L237-A250 HydrophobicContact CD2-CB 3.92Å; I240-A250 HydrophobicContact CD1-CB 3.42Å; I240-A250 VanDerWaalsContact CD1-CB 3.42Å; Y246-A250 WeakPolarHBondContact O-CB 3.36Å; Y246-A250 PolarHBondContact O-N 3.45Å; Y247-A250 PolarHBondContact O-N 3.1Å; A250-I253 PolarHBondContact O-N 3.28Å; A250-M254 WeakPolarHBondContact O-CB 3.38Å; A250-M254 PolarHBondContact O-N 3.21Å |
| 251 | R | 87.3 | Confident | 84.1 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 11% | 0.106 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 175.9 | -69.3 | -68.7 | 172 | 172.4 | -9.5 | 112.5 | Y247 V248 Q249 A255 A275 | Y247-R251 HydrophobicContact CD1-CG 4.28Å; Y247-R251 HydrophobicContact CD2-CG 4.43Å; Y247-R251 HydrophobicContact CE1-CG 3.91Å; Y247-R251 HydrophobicContact CE2-CG 4.09Å; Y247-R251 VanDerWaalsContact CE2-NE 3.26Å; Y247-R251 VanDerWaalsContact CZ-NE 3.28Å; Y247-R251 VanDerWaalsContact O-CG 3.31Å; Y247-R251 WeakPolarHBondContact O-CG 3.34Å; Y247-R251 PolarHBondContact O-N 3.31Å; Y247-R251 PolarHBondContact OH-NE 3.24Å; Y247-R251 VanDerWaalsContact OH-NE 3.13Å; Y247-R251 PolarHBondContact OH-NH2 3.09Å; V248-R251 PolarHBondContact O-N 3.36Å; Q249-R251 VanDerWaalsContact C-N 3.33Å; Q249-R251 PolarHBondContact O-N 2.98Å; R251-A255 WeakPolarHBondContact O-CB 3.5Å; R251-A255 PolarHBondContact O-N 3.31Å; R251-A275 HydrophobicContact CG-CB 4.42Å |
| 252 | K | 84.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -50.5 | 172.8 | -72.2 | 176 | 179.4 | 176.7 | 0 | 111.2 | V248 Q249 M254 A255 D256 | V248-K252 WeakPolarHBondContact O-CG 3.43Å; V248-K252 PolarHBondContact O-N 3.5Å; Q249-K252 WeakPolarHBondContact O-CB 3.5Å; Q249-K252 PolarHBondContact O-N 2.91Å; K252-M254 VanDerWaalsContact C-N 3.32Å; K252-M254 PolarHBondContact O-N 3.3Å; K252-A255 WeakPolarHBondContact O-CB 3.35Å; K252-A255 PolarHBondContact O-N 3.46Å; K252-D256 PolarHBondContact O-N 3.47Å |
| 253 | I | 86.1 | Confident | 84 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.7 | -63.2 | 177.6 | 0 | 0 | 0 | 110.8 | L218 L237 Q249 A250 A255 D256 I257 | L218-I253 HydrophobicContact CD2-CD1 3.46Å; L218-I253 VanDerWaalsContact CD2-CD1 3.46Å; L218-I253 HydrophobicContact CG-CD1 4.34Å; L237-I253 HydrophobicContact CD1-CB 4.31Å; L237-I253 HydrophobicContact CD1-CG2 3.89Å; Q249-I253 HydrophobicContact CG-CD1 4.49Å; Q249-I253 WeakPolarHBondContact O-CG1 3.48Å; Q249-I253 PolarHBondContact O-N 3.38Å; A250-I253 PolarHBondContact O-N 3.28Å; I253-A255 VanDerWaalsContact C-N 3.33Å; I253-A255 PolarHBondContact O-N 3.05Å; I253-D256 PolarHBondContact O-N 3.48Å; I253-I257 HydrophobicContact CG2-CD1 3.96Å; I253-I257 HydrophobicContact CG2-CG1 4.39Å; I253-I257 VanDerWaalsContact O-CG1 3.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.29Å; I253-I257 PolarHBondContact O-N 2.96Å |
| 254 | M | 89.4 | Confident | 84.1 | Confident | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.044 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.3 | -170.3 | 175.1 | 65.8 | 0 | 0 | 111.7 | L234 L237 A250 K252 I257 Y258 C271 | L234-M254 HydrophobicContact CD2-CG 3.72Å; L237-M254 HydrophobicContact CB-CB 4.2Å; L237-M254 HydrophobicContact CB-CG 4.39Å; L237-M254 HydrophobicContact CB-SD 4.32Å; L237-M254 HydrophobicContact CD1-CB 3.84Å; L237-M254 HydrophobicContact CD1-CG 4.43Å; A250-M254 WeakPolarHBondContact O-CB 3.38Å; A250-M254 PolarHBondContact O-N 3.21Å; K252-M254 VanDerWaalsContact C-N 3.32Å; K252-M254 PolarHBondContact O-N 3.3Å; M254-I257 PolarHBondContact O-N 3.44Å; M254-Y258 HydrophobicContact CG-CD2 3.98Å; M254-Y258 HydrophobicContact CG-CE2 3.67Å; M254-Y258 WeakPolarHBondContact O-CD2 3.43Å; M254-Y258 PolarHBondContact O-N 3.02Å; M254-Y258 HydrophobicContact SD-CE2 4.13Å; M254-C271 HydrophobicContact CE-CB 4.16Å; M254-C271 WeakPolarHBondContact CE-SG 3.29Å |
| 255 | A | 86.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R251 K252 I253 I257 Y258 F259 Y268 C271 F272 | R251-A255 WeakPolarHBondContact O-CB 3.5Å; R251-A255 PolarHBondContact O-N 3.31Å; K252-A255 WeakPolarHBondContact O-CB 3.35Å; K252-A255 PolarHBondContact O-N 3.46Å; I253-A255 VanDerWaalsContact C-N 3.33Å; I253-A255 PolarHBondContact O-N 3.05Å; A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 3.46Å; A255-Y258 PolarHBondContact O-N 3.18Å; A255-Y258 VanDerWaalsContact O-N 3.12Å; A255-F259 WeakPolarHBondContact O-CB 3.13Å; A255-F259 PolarHBondContact O-N 3.16Å; A255-Y268 HydrophobicContact CB-CD2 3.78Å; A255-Y268 HydrophobicContact CB-CE2 3.83Å; A255-Y268 VanDerWaalsContact O-CD2 3.26Å; A255-Y268 WeakPolarHBondContact O-CD2 3.42Å; A255-C271 HydrophobicContact CB-CB 4.05Å; A255-F272 HydrophobicContact CB-CD2 4.42Å; A255-F272 HydrophobicContact CB-CE2 3.56Å; A255-F272 HydrophobicContact CB-CZ 3.72Å |
| 256 | D | 86.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 177.4 | -71.8 | -24.2 | 0 | 0 | 0 | 111.9 | K252 I253 F259 T260 | K252-D256 PolarHBondContact O-N 3.47Å; I253-D256 PolarHBondContact O-N 3.48Å; D256-F259 PolarHBondContact O-N 3.46Å; D256-T260 WeakPolarHBondContact O-CB 3.32Å; D256-T260 WeakPolarHBondContact O-CG2 3.26Å; D256-T260 PolarHBondContact O-N 3.11Å; D256-T260 PolarHBondContact O-OG1 3.46Å |
| 257 | I | 87.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 174.2 | -65.5 | 164.7 | 0 | 0 | 0 | 111.5 | L225 V230 A233 L234 L237 I253 M254 A255 F259 H261 K262 | L225-I257 HydrophobicContact CD1-CD1 3.96Å; L225-I257 HydrophobicContact CD1-CG1 3.95Å; L225-I257 HydrophobicContact CD2-CD1 4.03Å; L225-I257 HydrophobicContact CD2-CG1 4.02Å; L225-I257 HydrophobicContact CD2-CG2 4.32Å; L225-I257 HydrophobicContact CG-CD1 4.41Å; V230-I257 HydrophobicContact CG1-CG2 3.65Å; A233-I257 HydrophobicContact CB-CD1 4.42Å; L234-I257 HydrophobicContact CD1-CG2 4.4Å; L234-I257 HydrophobicContact CD2-CB 4.12Å; L234-I257 HydrophobicContact CD2-CD1 4.44Å; L234-I257 HydrophobicContact CD2-CG2 3.74Å; L234-I257 HydrophobicContact CG-CG2 4.02Å; L237-I257 HydrophobicContact CD1-CD1 3.64Å; I253-I257 HydrophobicContact CG2-CD1 3.96Å; I253-I257 HydrophobicContact CG2-CG1 4.39Å; I253-I257 VanDerWaalsContact O-CG1 3.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.29Å; I253-I257 PolarHBondContact O-N 2.96Å; M254-I257 PolarHBondContact O-N 3.44Å; A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 3.46Å; I257-F259 PolarHBondContact O-N 2.86Å; I257-H261 HydrophobicContact CG2-CB 4.35Å; I257-H261 WeakPolarHBondContact O-CB 3.35Å; I257-H261 PolarHBondContact O-N 3.25Å; I257-K262 PolarHBondContact O-N 3.38Å |
| 258 | Y | 87.4 | Confident | 83.7 | Confident | 38 Ų | 38 | 62 Ų | 62 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -34.7 | 175.7 | -80.9 | -61.1 | 0 | 0 | 0 | 112 | L234 M254 A255 K262 K263 D264 Q267 C271 | L234-Y258 HydrophobicContact CD1-CE1 3.89Å; L234-Y258 HydrophobicContact CD2-CD2 4.22Å; L234-Y258 HydrophobicContact CD2-CE1 4.35Å; L234-Y258 HydrophobicContact CD2-CE2 3.81Å; M254-Y258 HydrophobicContact CG-CD2 3.98Å; M254-Y258 HydrophobicContact CG-CE2 3.67Å; M254-Y258 WeakPolarHBondContact O-CD2 3.43Å; M254-Y258 PolarHBondContact O-N 3.02Å; M254-Y258 HydrophobicContact SD-CE2 4.13Å; A255-Y258 PolarHBondContact O-N 3.18Å; A255-Y258 VanDerWaalsContact O-N 3.12Å; Y258-K262 HydrophobicContact CD1-CB 4.29Å; Y258-K262 HydrophobicContact CD1-CD 3.97Å; Y258-K262 HydrophobicContact CE1-CD 3.91Å; Y258-K262 CarbonylContact O-C 3.49Å; Y258-K263 CarbonylContact O-C 3.57Å; Y258-K263 WeakPolarHBondContact O-CA 3.3Å; Y258-K263 PolarHBondContact O-N 2.99Å; Y258-D264 PolarHBondContact O-N 2.86Å; Y258-Q267 HydrophobicContact CD1-CB 3.51Å; Y258-Q267 HydrophobicContact CD1-CG 4.19Å; Y258-Q267 HydrophobicContact CD2-CB 4.02Å; Y258-Q267 HydrophobicContact CE1-CB 3.71Å; Y258-Q267 HydrophobicContact CE1-CG 3.99Å; Y258-Q267 HydrophobicContact CE2-CB 4.18Å; Y258-Q267 HydrophobicContact CG-CB 3.7Å; Y258-C271 VanDerWaalsContact CD2-SG 3.59Å |
| 259 | F | 84 | Confident | 83.5 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.9 | -47.7 | 179.1 | -171.1 | -100.2 | 0 | 0 | 0 | 112.9 | A255 D256 I257 K263 Y268 | A255-F259 WeakPolarHBondContact O-CB 3.13Å; A255-F259 PolarHBondContact O-N 3.16Å; D256-F259 PolarHBondContact O-N 3.46Å; I257-F259 PolarHBondContact O-N 2.86Å; F259-K263 WeakPolarHBondContact O-CA 3.33Å; F259-Y268 HydrophobicContact CB-CD2 3.75Å; F259-Y268 HydrophobicContact CB-CE2 3.97Å; F259-Y268 HydrophobicContact CD2-CD2 4.23Å; F259-Y268 HydrophobicContact CD2-CE2 4.29Å; F259-Y268 HydrophobicContact CD2-CG 4.46Å; F259-Y268 HydrophobicContact CG-CD2 4.37Å; F259-Y268 HydrophobicContact CG-CE2 4.33Å |
| 260 | T | 84 | Confident | 83.6 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -85 | -51.5 | -172.9 | 58.2 | 0 | 0 | 0 | 0 | 113 | D256 | D256-T260 WeakPolarHBondContact O-CB 3.32Å; D256-T260 WeakPolarHBondContact O-CG2 3.26Å; D256-T260 PolarHBondContact O-N 3.11Å; D256-T260 PolarHBondContact O-OG1 3.46Å |
| 261 | H | 81.7 | Confident | 83.4 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -50.5 | -173.2 | -69.4 | -87.3 | 0 | 0 | 0 | 112.3 | V230 I257 | V230-H261 HydrophobicContact CG1-CB 4.1Å; V230-H261 HydrophobicContact CG2-CB 4.21Å; I257-H261 HydrophobicContact CG2-CB 4.35Å; I257-H261 WeakPolarHBondContact O-CB 3.35Å; I257-H261 PolarHBondContact O-N 3.25Å |
| 262 | K | 82.7 | Confident | 83.1 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -85.9 | -20.8 | -178.1 | -71.8 | -164.1 | 170.7 | -178.5 | 0 | 113.8 | N231 L234 I257 Y258 D264 | N231-K262 PolarHBondContact OD1-NZ 2.85Å; L234-K262 HydrophobicContact CD1-CD 3.91Å; I257-K262 PolarHBondContact O-N 3.38Å; Y258-K262 HydrophobicContact CD1-CB 4.29Å; Y258-K262 HydrophobicContact CD1-CD 3.97Å; Y258-K262 HydrophobicContact CE1-CD 3.91Å; Y258-K262 CarbonylContact O-C 3.49Å; K262-D264 HydrophobicContact CB-CB 4.29Å; K262-D264 PolarHBondContact O-N 3.49Å; K262-D264 VanDerWaalsContact O-N 3.13Å |
| 263 | K | 79.9 | Confident | 82.9 | Confident | 163 Ų | 163 | 60.4 Ų | 60.4 | 71% | 0.709 | 28% | 0.282 | S | S | * | . | trans | 52.8 | 26.4 | -172.1 | -59.8 | 176.9 | -179.4 | 175.8 | 0 | 112.9 | Y258 F259 K265 | Y258-K263 CarbonylContact O-C 3.57Å; Y258-K263 WeakPolarHBondContact O-CA 3.3Å; Y258-K263 PolarHBondContact O-N 2.99Å; F259-K263 WeakPolarHBondContact O-CA 3.33Å; K263-K265 PolarHBondContact O-N 2.98Å | ||
| 264 | D | 81.3 | Confident | 82.7 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | trans | -93.2 | 99.4 | -178.5 | -170.2 | -16.2 | 0 | 0 | 0 | 110.6 | Y258 K262 R266 Q267 Y268 | Y258-D264 PolarHBondContact O-N 2.86Å; K262-D264 HydrophobicContact CB-CB 4.29Å; K262-D264 PolarHBondContact O-N 3.49Å; K262-D264 VanDerWaalsContact O-N 3.13Å; D264-R266 VanDerWaalsContact C-N 3.32Å; D264-R266 PolarHBondContact O-N 2.62Å; D264-R266 PolarHBondContact OD1-N 2.68Å; D264-Q267 HydrophobicContact CB-CB 4.31Å; D264-Q267 HydrophobicContact CB-CG 4.39Å; D264-Q267 PolarHBondContact O-N 3.2Å; D264-Q267 PolarHBondContact OD1-N 3.11Å; D264-Q267 VanDerWaalsContact OD2-CG 3.24Å; D264-Q267 WeakPolarHBondContact OD2-CG 3.44Å; D264-Y268 PolarHBondContact O-N 3.23Å; D264-Y268 VanDerWaalsContact O-N 3.09Å | ||
| 265 | K | 75.6 | Confident | 82.2 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.5 | -25.8 | -175.7 | -59.6 | 176.8 | -175.8 | -176.4 | 0 | 112.6 | K263 I269 Y299 | K263-K265 PolarHBondContact O-N 2.98Å; K265-I269 WeakPolarHBondContact O-CG1 3.47Å; K265-I269 PolarHBondContact O-N 3.36Å; K265-Y299 HydrophobicContact CD-CE2 3.84Å; K265-Y299 WeakPolarHBondContact CD-OH 3.38Å; K265-Y299 VanDerWaalsContact CE-OH 3.31Å; K265-Y299 WeakPolarHBondContact CE-OH 2.8Å; K265-Y299 PolarHBondContact NZ-OH 3.21Å |
| 266 | R | 78.3 | Confident | 81.9 | Confident | 214 Ų | 214 | 66.2 Ų | 66.2 | 81% | 0.808 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.2 | -44.2 | 177.7 | -70.2 | -178.2 | 175.6 | 175.2 | -0.9 | 110 | D264 I269 A270 | D264-R266 VanDerWaalsContact C-N 3.32Å; D264-R266 PolarHBondContact O-N 2.62Å; D264-R266 PolarHBondContact OD1-N 2.68Å; R266-I269 PolarHBondContact O-N 3.06Å; R266-A270 WeakPolarHBondContact O-CB 3.5Å; R266-A270 PolarHBondContact O-N 3.34Å |
| 267 | Q | 82.5 | Confident | 81.6 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 177.5 | -65.5 | -61.4 | -13 | 0 | 0 | 112.3 | Y258 D264 I269 A270 C271 | Y258-Q267 HydrophobicContact CD1-CB 3.51Å; Y258-Q267 HydrophobicContact CD1-CG 4.19Å; Y258-Q267 HydrophobicContact CD2-CB 4.02Å; Y258-Q267 HydrophobicContact CE1-CB 3.71Å; Y258-Q267 HydrophobicContact CE1-CG 3.99Å; Y258-Q267 HydrophobicContact CE2-CB 4.18Å; Y258-Q267 HydrophobicContact CG-CB 3.7Å; D264-Q267 HydrophobicContact CB-CB 4.31Å; D264-Q267 HydrophobicContact CB-CG 4.39Å; D264-Q267 PolarHBondContact O-N 3.2Å; D264-Q267 PolarHBondContact OD1-N 3.11Å; D264-Q267 VanDerWaalsContact OD2-CG 3.24Å; D264-Q267 WeakPolarHBondContact OD2-CG 3.44Å; Q267-I269 VanDerWaalsContact C-N 3.32Å; Q267-I269 PolarHBondContact O-N 2.98Å; Q267-A270 PolarHBondContact O-N 2.95Å; Q267-C271 PolarHBondContact O-N 3.06Å; Q267-C271 PolarHBondContact O-SG 3.32Å |
| 268 | Y | 82.9 | Confident | 81.3 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -51.3 | -50 | 172.1 | -179.9 | -102.4 | 0 | 0 | 0 | 112.4 | A255 F259 D264 C271 F272 A291 I295 | A255-Y268 HydrophobicContact CB-CD2 3.78Å; A255-Y268 HydrophobicContact CB-CE2 3.83Å; A255-Y268 VanDerWaalsContact O-CD2 3.26Å; A255-Y268 WeakPolarHBondContact O-CD2 3.42Å; F259-Y268 HydrophobicContact CB-CD2 3.75Å; F259-Y268 HydrophobicContact CB-CE2 3.97Å; F259-Y268 HydrophobicContact CD2-CD2 4.23Å; F259-Y268 HydrophobicContact CD2-CE2 4.29Å; F259-Y268 HydrophobicContact CD2-CG 4.46Å; F259-Y268 HydrophobicContact CG-CD2 4.37Å; F259-Y268 HydrophobicContact CG-CE2 4.33Å; D264-Y268 PolarHBondContact O-N 3.23Å; D264-Y268 VanDerWaalsContact O-N 3.09Å; Y268-C271 WeakPolarHBondContact O-CB 3.01Å; Y268-C271 PolarHBondContact O-N 2.88Å; Y268-F272 HydrophobicContact CD1-CE2 4.45Å; Y268-F272 HydrophobicContact CD2-CE2 4.33Å; Y268-F272 HydrophobicContact CE1-CD2 4.46Å; Y268-F272 HydrophobicContact CE1-CE2 4Å; Y268-F272 AromaticContact CE2-CE2 3.84Å; Y268-F272 HydrophobicContact CE2-CE2 3.84Å; Y268-F272 AromaticContact CZ-CE2 3.66Å; Y268-F272 VanDerWaalsContact O-CD2 3.31Å; Y268-F272 WeakPolarHBondContact O-CD2 3.34Å; Y268-A291 HydrophobicContact CE1-CB 3.65Å; Y268-A291 WeakPolarHBondContact OH-CA 3.49Å; Y268-A291 VanDerWaalsContact OH-CB 3.23Å; Y268-A291 WeakPolarHBondContact OH-CB 3.42Å; Y268-I295 HydrophobicContact CD1-CD1 3.77Å; Y268-I295 HydrophobicContact CD1-CG1 4.36Å; Y268-I295 HydrophobicContact CE1-CD1 3.83Å; Y268-I295 HydrophobicContact CE1-CG1 4.17Å |
| 269 | I | 76.6 | Confident | 80.5 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.6 | -37.6 | -180 | -60.6 | 173.2 | 0 | 0 | 0 | 111.2 | K265 R266 Q267 C271 F272 K273 Y292 I295 F308 | K265-I269 WeakPolarHBondContact O-CG1 3.47Å; K265-I269 PolarHBondContact O-N 3.36Å; R266-I269 PolarHBondContact O-N 3.06Å; Q267-I269 VanDerWaalsContact C-N 3.32Å; Q267-I269 PolarHBondContact O-N 2.98Å; I269-C271 PolarHBondContact O-N 3.2Å; I269-F272 PolarHBondContact O-N 3.27Å; I269-F272 VanDerWaalsContact O-N 3.16Å; I269-K273 HydrophobicContact CG2-CD 4.06Å; I269-K273 HydrophobicContact CG2-CG 4.1Å; I269-K273 PolarHBondContact O-N 2.9Å; I269-Y292 HydrophobicContact CG2-CE1 4.13Å; I269-I295 HydrophobicContact CD1-CD1 3.54Å; I269-I295 HydrophobicContact CG1-CD1 3.49Å; I269-I295 VanDerWaalsContact CG1-CD1 3.49Å; I269-F308 HydrophobicContact CD1-CD1 3.95Å; I269-F308 HydrophobicContact CD1-CE1 3.34Å; I269-F308 HydrophobicContact CD1-CZ 4.3Å |
| 270 | A | 83.1 | Confident | 80.1 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -35.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R266 Q267 F272 K273 Y274 | R266-A270 WeakPolarHBondContact O-CB 3.5Å; R266-A270 PolarHBondContact O-N 3.34Å; Q267-A270 PolarHBondContact O-N 2.95Å; A270-F272 PolarHBondContact O-N 3.11Å; A270-K273 PolarHBondContact O-N 3.34Å; A270-Y274 VanDerWaalsContact O-CB 3.22Å; A270-Y274 WeakPolarHBondContact O-CB 3.5Å; A270-Y274 PolarHBondContact O-N 3.12Å |
| 271 | C | 83.1 | Confident | 79.5 | Confident | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 175.4 | -65.5 | 0 | 0 | 0 | 0 | 112 | M254 A255 Y258 Q267 Y268 I269 A275 | M254-C271 HydrophobicContact CE-CB 4.16Å; M254-C271 WeakPolarHBondContact CE-SG 3.29Å; A255-C271 HydrophobicContact CB-CB 4.05Å; Y258-C271 VanDerWaalsContact CD2-SG 3.59Å; Q267-C271 PolarHBondContact O-N 3.06Å; Q267-C271 PolarHBondContact O-SG 3.32Å; Y268-C271 WeakPolarHBondContact O-CB 3.01Å; Y268-C271 PolarHBondContact O-N 2.88Å; I269-C271 PolarHBondContact O-N 3.2Å; C271-A275 WeakPolarHBondContact O-CB 3.3Å; C271-A275 PolarHBondContact O-N 3.43Å |
| 272 | F | 81.8 | Confident | 78.8 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.9 | -38.9 | 179.1 | -65.9 | -71.6 | 0 | 0 | 0 | 112.8 | A255 Y268 I269 A270 Y274 A275 L276 A287 A288 A291 | A255-F272 HydrophobicContact CB-CD2 4.42Å; A255-F272 HydrophobicContact CB-CE2 3.56Å; A255-F272 HydrophobicContact CB-CZ 3.72Å; Y268-F272 HydrophobicContact CD1-CE2 4.45Å; Y268-F272 HydrophobicContact CD2-CE2 4.33Å; Y268-F272 HydrophobicContact CE1-CD2 4.46Å; Y268-F272 HydrophobicContact CE1-CE2 4Å; Y268-F272 AromaticContact CE2-CE2 3.84Å; Y268-F272 HydrophobicContact CE2-CE2 3.84Å; Y268-F272 AromaticContact CZ-CE2 3.66Å; Y268-F272 VanDerWaalsContact O-CD2 3.31Å; Y268-F272 WeakPolarHBondContact O-CD2 3.34Å; I269-F272 PolarHBondContact O-N 3.27Å; I269-F272 VanDerWaalsContact O-N 3.16Å; A270-F272 PolarHBondContact O-N 3.11Å; F272-Y274 VanDerWaalsContact C-N 3.31Å; F272-Y274 PolarHBondContact O-N 3.33Å; F272-A275 PolarHBondContact O-N 3.34Å; F272-L276 WeakPolarHBondContact O-CB 3.42Å; F272-L276 WeakPolarHBondContact O-CG 3.39Å; F272-L276 PolarHBondContact O-N 3.37Å; F272-A287 HydrophobicContact CE1-CB 4.04Å; F272-A288 HydrophobicContact CB-CB 4.08Å; F272-A288 HydrophobicContact CD1-CB 4.26Å; F272-A288 HydrophobicContact CG-CB 4.37Å; F272-A291 HydrophobicContact CD2-CB 3.55Å; F272-A291 HydrophobicContact CE1-CB 4.3Å; F272-A291 HydrophobicContact CE2-CB 3.26Å; F272-A291 HydrophobicContact CG-CB 4.2Å; F272-A291 HydrophobicContact CZ-CB 3.68Å |
| 273 | K | 79.2 | Confident | 78.2 | Confident | 101 Ų | 101 | 72 Ų | 72 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.6 | -74.9 | -170 | 176.7 | -169.4 | 0 | 111.4 | I269 A270 K277 Y292 D311 | I269-K273 HydrophobicContact CG2-CD 4.06Å; I269-K273 HydrophobicContact CG2-CG 4.1Å; I269-K273 PolarHBondContact O-N 2.9Å; A270-K273 PolarHBondContact O-N 3.34Å; K273-K277 PolarHBondContact O-N 2.96Å; K273-K277 VanDerWaalsContact O-N 3.15Å; K273-Y292 WeakPolarHBondContact CE-OH 3.45Å; K273-D311 WeakPolarHBondContact CE-OD2 3.45Å; K273-D311 IonicContact NZ-OD2 3.55Å; K273-D311 PolarHBondContact NZ-OD2 3.49Å |
| 274 | Y | 82 | Confident | 78.1 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 48% | 0.475 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 176.2 | -170.8 | -95.2 | 0 | 0 | 0 | 111.8 | Y247 A270 F272 L276 K277 C278 | Y247-Y274 WeakPolarHBondContact OH-CD1 3.49Å; Y247-Y274 WeakPolarHBondContact OH-CE1 3.37Å; A270-Y274 VanDerWaalsContact O-CB 3.22Å; A270-Y274 WeakPolarHBondContact O-CB 3.5Å; A270-Y274 PolarHBondContact O-N 3.12Å; F272-Y274 VanDerWaalsContact C-N 3.31Å; F272-Y274 PolarHBondContact O-N 3.33Å; Y274-L276 PolarHBondContact O-N 2.96Å; Y274-K277 PolarHBondContact O-N 3.26Å; Y274-C278 WeakPolarHBondContact CE1-SG 3.27Å; Y274-C278 VanDerWaalsContact CZ-SG 3.56Å; Y274-C278 PolarHBondContact O-N 2.98Å; Y274-C278 PolarHBondContact O-SG 3.29Å |
| 275 | A | 80.3 | Confident | 77.5 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R251 C271 F272 K277 C278 S279 I284 | R251-A275 HydrophobicContact CG-CB 4.42Å; C271-A275 WeakPolarHBondContact O-CB 3.3Å; C271-A275 PolarHBondContact O-N 3.43Å; F272-A275 PolarHBondContact O-N 3.34Å; A275-K277 VanDerWaalsContact C-N 3.26Å; A275-K277 PolarHBondContact O-N 2.8Å; A275-C278 PolarHBondContact O-N 3.43Å; A275-S279 CarbonylContact O-C 3.54Å; A275-S279 PolarHBondContact O-N 3.35Å; A275-I284 HydrophobicContact CB-CD1 4.08Å; A275-I284 HydrophobicContact CB-CG1 4.47Å; A275-I284 HydrophobicContact CB-CG2 3.83Å |
| 276 | L | 79 | Confident | 77.2 | Confident | 37 Ų | 37 | 64 Ų | 64 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -31.6 | 176.6 | -75.8 | 168.6 | 0 | 0 | 0 | 113.3 | F272 Y274 I284 F285 A288 L315 | F272-L276 WeakPolarHBondContact O-CB 3.42Å; F272-L276 WeakPolarHBondContact O-CG 3.39Å; F272-L276 PolarHBondContact O-N 3.37Å; Y274-L276 PolarHBondContact O-N 2.96Å; L276-I284 HydrophobicContact CD2-CG2 3.69Å; L276-I284 HydrophobicContact CG-CG2 3.81Å; L276-F285 HydrophobicContact CD2-CD1 3.59Å; L276-F285 HydrophobicContact CD2-CD2 4.36Å; L276-F285 HydrophobicContact CD2-CE1 3.62Å; L276-F285 HydrophobicContact CD2-CE2 4.38Å; L276-F285 HydrophobicContact CD2-CG 3.97Å; L276-F285 HydrophobicContact CD2-CZ 4.02Å; L276-A288 HydrophobicContact CD1-CB 4Å; L276-A288 HydrophobicContact CG-CB 4.48Å; L276-L315 HydrophobicContact CD1-CD1 3.91Å |
| 277 | K | 81.5 | Confident | 76.9 | Confident | 179 Ų | 179 | 54.4 Ų | 54.4 | 78% | 0.778 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -74.9 | -37.7 | 177.6 | -171.3 | 179.2 | 178 | -175.2 | 0 | 112.1 | K273 Y274 A275 | K273-K277 PolarHBondContact O-N 2.96Å; K273-K277 VanDerWaalsContact O-N 3.15Å; Y274-K277 PolarHBondContact O-N 3.26Å; A275-K277 VanDerWaalsContact C-N 3.26Å; A275-K277 PolarHBondContact O-N 2.8Å |
| 278 | C | 79.8 | Confident | 76.6 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 32% | 0.324 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -86.1 | -42.7 | -175.6 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | Y274 A275 | Y274-C278 WeakPolarHBondContact CE1-SG 3.27Å; Y274-C278 VanDerWaalsContact CZ-SG 3.56Å; Y274-C278 PolarHBondContact O-N 2.98Å; Y274-C278 PolarHBondContact O-SG 3.29Å; A275-C278 PolarHBondContact O-N 3.43Å |
| 279 | S | 72.4 | Confident | 76 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | trans | -143 | 90.6 | -176.2 | 48 | 0 | 0 | 0 | 0 | 111.2 | A275 T281 I284 | A275-S279 CarbonylContact O-C 3.54Å; A275-S279 PolarHBondContact O-N 3.35Å; S279-T281 PolarHBondContact O-N 2.96Å; S279-I284 WeakPolarHBondContact O-CD1 3.46Å; S279-I284 VanDerWaalsContact OG-CD1 3.31Å; S279-I284 WeakPolarHBondContact OG-CD1 3.43Å | ||
| 280 | P | 75.1 | Confident | 75.8 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | trans | -75.4 | 73.8 | 177.9 | 30.9 | -34.6 | 0 | 0 | 0 | 111.2 | F285 | P280-F285 HydrophobicContact CB-CE2 3.8Å; P280-F285 HydrophobicContact CB-CZ 4.07Å | ||
| 281 | T | 70.3 | Confident | 75.3 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -91.1 | 150.3 | 173 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | S279 E283 I284 F285 | S279-T281 PolarHBondContact O-N 2.96Å; T281-E283 PolarHBondContact O-N 3.19Å; T281-I284 PolarHBondContact O-N 2.95Å; T281-I284 WeakPolarHBondContact OG1-CG1 3.36Å; T281-I284 PolarHBondContact OG1-N 3.47Å; T281-F285 VanDerWaalsContact O-CD2 3.25Å; T281-F285 WeakPolarHBondContact O-CD2 3.09Å; T281-F285 PolarHBondContact O-N 3.42Å | ||
| 282 | P | 68 | Low | 74.7 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -52.6 | -37.8 | 175.9 | -26.9 | 34.8 | 0 | 0 | 0 | 112.9 | I284 F285 I286 | P282-I284 PolarHBondContact O-N 3.41Å; P282-F285 PolarHBondContact O-N 3.21Å; P282-I286 VanDerWaalsContact O-CG1 3.31Å; P282-I286 WeakPolarHBondContact O-CG1 3.26Å; P282-I286 PolarHBondContact O-N 2.93Å |
| 283 | E | 69.3 | Low | 74.1 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.6 | -66.8 | 174.8 | -165.7 | 0 | 0 | 113.2 | T281 I286 A287 | T281-E283 PolarHBondContact O-N 3.19Å; E283-I286 PolarHBondContact O-N 2.99Å; E283-A287 VanDerWaalsContact O-CB 3.24Å; E283-A287 WeakPolarHBondContact O-CB 3.4Å; E283-A287 PolarHBondContact O-N 3.42Å |
| 284 | I | 77.6 | Confident | 73.7 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 175.7 | -70.7 | 169.8 | 0 | 0 | 0 | 110.2 | V248 A275 L276 S279 T281 P282 A287 A288 | V248-I284 HydrophobicContact CB-CG1 4.42Å; V248-I284 HydrophobicContact CG1-CD1 4.45Å; V248-I284 HydrophobicContact CG1-CG1 3.77Å; V248-I284 HydrophobicContact CG2-CD1 3.79Å; V248-I284 HydrophobicContact CG2-CG1 3.98Å; A275-I284 HydrophobicContact CB-CD1 4.08Å; A275-I284 HydrophobicContact CB-CG1 4.47Å; A275-I284 HydrophobicContact CB-CG2 3.83Å; L276-I284 HydrophobicContact CD2-CG2 3.69Å; L276-I284 HydrophobicContact CG-CG2 3.81Å; S279-I284 WeakPolarHBondContact O-CD1 3.46Å; S279-I284 VanDerWaalsContact OG-CD1 3.31Å; S279-I284 WeakPolarHBondContact OG-CD1 3.43Å; T281-I284 PolarHBondContact O-N 2.95Å; T281-I284 WeakPolarHBondContact OG1-CG1 3.36Å; T281-I284 PolarHBondContact OG1-N 3.47Å; P282-I284 PolarHBondContact O-N 3.41Å; I284-A287 PolarHBondContact O-N 3Å; I284-A288 WeakPolarHBondContact O-CB 3.44Å; I284-A288 PolarHBondContact O-N 2.84Å |
| 285 | F | 68.2 | Low | 73.1 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 17% | 0.167 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.5 | -77.7 | -76.1 | 0 | 0 | 0 | 111.9 | L276 P280 T281 P282 G289 L315 K318 L319 | L276-F285 HydrophobicContact CD2-CD1 3.59Å; L276-F285 HydrophobicContact CD2-CD2 4.36Å; L276-F285 HydrophobicContact CD2-CE1 3.62Å; L276-F285 HydrophobicContact CD2-CE2 4.38Å; L276-F285 HydrophobicContact CD2-CG 3.97Å; L276-F285 HydrophobicContact CD2-CZ 4.02Å; P280-F285 HydrophobicContact CB-CE2 3.8Å; P280-F285 HydrophobicContact CB-CZ 4.07Å; T281-F285 VanDerWaalsContact O-CD2 3.25Å; T281-F285 WeakPolarHBondContact O-CD2 3.09Å; T281-F285 PolarHBondContact O-N 3.42Å; P282-F285 PolarHBondContact O-N 3.21Å; F285-G289 PolarHBondContact O-N 2.7Å; F285-L315 HydrophobicContact CD1-CD1 4.27Å; F285-L315 HydrophobicContact CD1-CG 4.36Å; F285-K318 HydrophobicContact CE1-CB 4.24Å; F285-K318 HydrophobicContact CE1-CD 3.87Å; F285-K318 HydrophobicContact CZ-CD 4.34Å; F285-L319 HydrophobicContact CB-CD2 3.55Å; F285-L319 HydrophobicContact CB-CG 4.13Å; F285-L319 HydrophobicContact CG-CD2 4.43Å |
| 286 | I | 70.5 | Confident | 72.2 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -50.3 | 176.6 | -66.4 | 164.9 | 0 | 0 | 0 | 110 | P282 E283 A288 G289 D290 L319 | P282-I286 VanDerWaalsContact O-CG1 3.31Å; P282-I286 WeakPolarHBondContact O-CG1 3.26Å; P282-I286 PolarHBondContact O-N 2.93Å; E283-I286 PolarHBondContact O-N 2.99Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 3.22Å; I286-G289 CarbonylContact O-C 3.31Å; I286-G289 WeakPolarHBondContact O-CA 3.32Å; I286-G289 PolarHBondContact O-N 2.95Å; I286-D290 PolarHBondContact O-N 3Å; I286-L319 HydrophobicContact CG1-CD2 4.36Å |
| 287 | A | 72.2 | Confident | 71.4 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F272 E283 I284 A291 | F272-A287 HydrophobicContact CE1-CB 4.04Å; E283-A287 VanDerWaalsContact O-CB 3.24Å; E283-A287 WeakPolarHBondContact O-CB 3.4Å; E283-A287 PolarHBondContact O-N 3.42Å; I284-A287 PolarHBondContact O-N 3Å; A287-A291 VanDerWaalsContact O-CB 3.25Å; A287-A291 WeakPolarHBondContact O-CB 3.45Å; A287-A291 PolarHBondContact O-N 3.29Å |
| 288 | A | 75.5 | Confident | 70.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F272 L276 I284 I286 D290 A291 Y292 L315 | F272-A288 HydrophobicContact CB-CB 4.08Å; F272-A288 HydrophobicContact CD1-CB 4.26Å; F272-A288 HydrophobicContact CG-CB 4.37Å; L276-A288 HydrophobicContact CD1-CB 4Å; L276-A288 HydrophobicContact CG-CB 4.48Å; I284-A288 WeakPolarHBondContact O-CB 3.44Å; I284-A288 PolarHBondContact O-N 2.84Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 3.22Å; A288-D290 PolarHBondContact O-N 3.41Å; A288-A291 WeakPolarHBondContact O-CB 3.49Å; A288-A291 PolarHBondContact O-N 2.57Å; A288-Y292 HydrophobicContact CB-CD2 4.48Å; A288-Y292 HydrophobicContact CB-CE2 4.49Å; A288-Y292 WeakPolarHBondContact O-CD2 3.47Å; A288-Y292 PolarHBondContact O-N 3.05Å; A288-L315 HydrophobicContact CB-CD1 3.77Å |
| 289 | G | 70.4 | Confident | 68.9 | Low | 10 Ų | 10 | 53.3 Ų | 53.3 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | F285 I286 A291 Y292 A293 L315 | F285-G289 PolarHBondContact O-N 2.7Å; I286-G289 CarbonylContact O-C 3.31Å; I286-G289 WeakPolarHBondContact O-CA 3.32Å; I286-G289 PolarHBondContact O-N 2.95Å; G289-A291 VanDerWaalsContact C-N 3.33Å; G289-A291 PolarHBondContact O-N 3.26Å; G289-Y292 PolarHBondContact O-N 3.12Å; G289-A293 VanDerWaalsContact O-CB 3.29Å; G289-A293 WeakPolarHBondContact O-CB 3.32Å; G289-A293 PolarHBondContact O-N 3Å; G289-L315 VanDerWaalsContact CA-CD2 3.41Å |
| 290 | D | 73 | Confident | 67.9 | Low | 91 Ų | 91 | 57 Ų | 57 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.3 | -65 | -23.3 | 0 | 0 | 0 | 111.6 | I286 A288 A293 R294 | I286-D290 PolarHBondContact O-N 3Å; A288-D290 PolarHBondContact O-N 3.41Å; D290-A293 PolarHBondContact O-N 2.73Å; D290-R294 WeakPolarHBondContact O-CB 3.29Å; D290-R294 WeakPolarHBondContact O-CG 3.16Å; D290-R294 PolarHBondContact O-N 2.98Å |
| 291 | A | 71.9 | Confident | 66.6 | Low | 3 Ų | 3 | 63.6 Ų | 63.6 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y268 F272 A287 A288 G289 A293 R294 I295 | Y268-A291 HydrophobicContact CE1-CB 3.65Å; Y268-A291 WeakPolarHBondContact OH-CA 3.49Å; Y268-A291 VanDerWaalsContact OH-CB 3.23Å; Y268-A291 WeakPolarHBondContact OH-CB 3.42Å; F272-A291 HydrophobicContact CD2-CB 3.55Å; F272-A291 HydrophobicContact CE1-CB 4.3Å; F272-A291 HydrophobicContact CE2-CB 3.26Å; F272-A291 HydrophobicContact CG-CB 4.2Å; F272-A291 HydrophobicContact CZ-CB 3.68Å; A287-A291 VanDerWaalsContact O-CB 3.25Å; A287-A291 WeakPolarHBondContact O-CB 3.45Å; A287-A291 PolarHBondContact O-N 3.29Å; A288-A291 WeakPolarHBondContact O-CB 3.49Å; A288-A291 PolarHBondContact O-N 2.57Å; G289-A291 VanDerWaalsContact C-N 3.33Å; G289-A291 PolarHBondContact O-N 3.26Å; A291-A293 VanDerWaalsContact C-N 3.35Å; A291-R294 PolarHBondContact O-N 3.01Å; A291-I295 WeakPolarHBondContact O-CG1 3.41Å; A291-I295 PolarHBondContact O-N 3.04Å; A291-I295 VanDerWaalsContact O-N 3.14Å |
| 292 | Y | 69.6 | Low | 65.3 | Low | 11 Ų | 11 | 66.8 Ų | 66.8 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 174.1 | -79.4 | -71 | 0 | 0 | 0 | 111.3 | I269 K273 A288 G289 I295 L296 F308 D311 L315 | I269-Y292 HydrophobicContact CG2-CE1 4.13Å; K273-Y292 WeakPolarHBondContact CE-OH 3.45Å; A288-Y292 HydrophobicContact CB-CD2 4.48Å; A288-Y292 HydrophobicContact CB-CE2 4.49Å; A288-Y292 WeakPolarHBondContact O-CD2 3.47Å; A288-Y292 PolarHBondContact O-N 3.05Å; G289-Y292 PolarHBondContact O-N 3.12Å; Y292-I295 PolarHBondContact O-N 2.69Å; Y292-L296 WeakPolarHBondContact O-CG 3.44Å; Y292-L296 PolarHBondContact O-N 2.66Å; Y292-F308 HydrophobicContact CE1-CD1 4.48Å; Y292-D311 HydrophobicContact CE1-CB 4.06Å; Y292-L315 HydrophobicContact CD2-CD1 4.45Å; Y292-L315 HydrophobicContact CE2-CD1 4.36Å |
| 293 | A | 69.5 | Low | 64.2 | Low | 30 Ų | 30 | 71.7 Ų | 71.7 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G289 D290 A291 I295 L296 E297 | G289-A293 VanDerWaalsContact O-CB 3.29Å; G289-A293 WeakPolarHBondContact O-CB 3.32Å; G289-A293 PolarHBondContact O-N 3Å; D290-A293 PolarHBondContact O-N 2.73Å; A291-A293 VanDerWaalsContact C-N 3.35Å; A293-I295 VanDerWaalsContact C-N 3.28Å; A293-I295 PolarHBondContact O-N 3.12Å; A293-L296 CarbonylContact O-C 3.46Å; A293-L296 PolarHBondContact O-N 3.26Å; A293-E297 WeakPolarHBondContact O-CG 3.3Å; A293-E297 PolarHBondContact O-N 2.85Å |
| 294 | R | 71.2 | Confident | 63.3 | Low | 129 Ų | 129 | 72 Ų | 72 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.5 | -40 | 174.8 | -78.9 | -179.9 | -178.2 | -179.1 | 3.3 | 112.2 | D290 A291 V298 | D290-R294 WeakPolarHBondContact O-CB 3.29Å; D290-R294 WeakPolarHBondContact O-CG 3.16Å; D290-R294 PolarHBondContact O-N 2.98Å; A291-R294 PolarHBondContact O-N 3.01Å; R294-V298 WeakPolarHBondContact O-CG2 3.43Å; R294-V298 PolarHBondContact O-N 3.09Å |
| 295 | I | 68.7 | Low | 62.1 | Low | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.056 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 173.6 | -69.1 | 163.3 | 0 | 0 | 0 | 109.6 | Y268 I269 A291 Y292 A293 E297 V298 Y299 | Y268-I295 HydrophobicContact CD1-CD1 3.77Å; Y268-I295 HydrophobicContact CD1-CG1 4.36Å; Y268-I295 HydrophobicContact CE1-CD1 3.83Å; Y268-I295 HydrophobicContact CE1-CG1 4.17Å; I269-I295 HydrophobicContact CD1-CD1 3.54Å; I269-I295 HydrophobicContact CG1-CD1 3.49Å; I269-I295 VanDerWaalsContact CG1-CD1 3.49Å; A291-I295 WeakPolarHBondContact O-CG1 3.41Å; A291-I295 PolarHBondContact O-N 3.04Å; A291-I295 VanDerWaalsContact O-N 3.14Å; Y292-I295 PolarHBondContact O-N 2.69Å; A293-I295 VanDerWaalsContact C-N 3.28Å; A293-I295 PolarHBondContact O-N 3.12Å; I295-E297 PolarHBondContact O-N 3.04Å; I295-V298 PolarHBondContact O-N 3.15Å; I295-Y299 HydrophobicContact CG2-CD2 3.59Å; I295-Y299 HydrophobicContact CG2-CE2 3.94Å; I295-Y299 WeakPolarHBondContact O-CB 3.06Å; I295-Y299 WeakPolarHBondContact O-CD2 3.39Å; I295-Y299 PolarHBondContact O-N 2.91Å |
| 296 | L | 63.2 | Low | 61.4 | Low | 45 Ų | 45 | 77.2 Ų | 77.2 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | -178.3 | -71.9 | 162 | 0 | 0 | 0 | 113.2 | Y292 A293 Y299 S300 L312 Y328 | Y292-L296 WeakPolarHBondContact O-CG 3.44Å; Y292-L296 PolarHBondContact O-N 2.66Å; A293-L296 CarbonylContact O-C 3.46Å; A293-L296 PolarHBondContact O-N 3.26Å; L296-Y299 CarbonylContact O-C 3.6Å; L296-Y299 PolarHBondContact O-N 3.33Å; L296-S300 WeakPolarHBondContact O-CB 3.32Å; L296-S300 PolarHBondContact O-N 2.9Å; L296-L312 HydrophobicContact CD1-CB 4.24Å; L296-L312 HydrophobicContact CD1-CD2 3.19Å; L296-L312 HydrophobicContact CD1-CG 4.22Å; L296-Y328 HydrophobicContact CD1-CE1 4.48Å |
| 297 | E | 62.2 | Low | 60.9 | Low | 147 Ų | 147 | 78.9 Ų | 78.9 | 69% | 0.687 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.3 | -46.5 | 174.2 | -76.2 | -179 | 175.4 | 0 | 0 | 111.2 | A293 I295 Y299 S300 | A293-E297 WeakPolarHBondContact O-CG 3.3Å; A293-E297 PolarHBondContact O-N 2.85Å; I295-E297 PolarHBondContact O-N 3.04Å; E297-Y299 VanDerWaalsContact C-N 3.29Å; E297-Y299 PolarHBondContact O-N 3.21Å; E297-S300 PolarHBondContact O-OG 3.14Å |
| 298 | V | 56.2 | Low | 60.4 | Low | 94 Ų | 94 | 80.3 Ų | 80.3 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.4 | -31.7 | 178.4 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | R294 I295 | R294-V298 WeakPolarHBondContact O-CG2 3.43Å; R294-V298 PolarHBondContact O-N 3.09Å; I295-V298 PolarHBondContact O-N 3.15Å |
| 299 | Y | 52.1 | Low | 59.7 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -105 | 3.4 | -173.9 | -74.8 | -70.9 | 0 | 0 | 0 | 116 | K265 I295 L296 E297 R301 L302 | K265-Y299 HydrophobicContact CD-CE2 3.84Å; K265-Y299 WeakPolarHBondContact CD-OH 3.38Å; K265-Y299 VanDerWaalsContact CE-OH 3.31Å; K265-Y299 WeakPolarHBondContact CE-OH 2.8Å; K265-Y299 PolarHBondContact NZ-OH 3.21Å; I295-Y299 HydrophobicContact CG2-CD2 3.59Å; I295-Y299 HydrophobicContact CG2-CE2 3.94Å; I295-Y299 WeakPolarHBondContact O-CB 3.06Å; I295-Y299 WeakPolarHBondContact O-CD2 3.39Å; I295-Y299 PolarHBondContact O-N 2.91Å; L296-Y299 CarbonylContact O-C 3.6Å; L296-Y299 PolarHBondContact O-N 3.33Å; E297-Y299 VanDerWaalsContact C-N 3.29Å; E297-Y299 PolarHBondContact O-N 3.21Å; Y299-R301 PolarHBondContact O-N 3.31Å; Y299-L302 HydrophobicContact CD1-CD1 4.3Å; Y299-L302 PolarHBondContact O-N 3.17Å |
| 300 | S | 50.9 | Low | 59.3 | Low | 97 Ų | 97 | 83.8 Ų | 83.8 | 68% | 0.678 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -12.1 | 174.7 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | L296 E297 | L296-S300 WeakPolarHBondContact O-CB 3.32Å; L296-S300 PolarHBondContact O-N 2.9Å; E297-S300 PolarHBondContact O-OG 3.14Å |
| 301 | R | 48.1 | Very low | 58.8 | Low | 229 Ų | 229 | 81.6 Ų | 81.6 | 86% | 0.864 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -7.5 | 177.6 | -66.4 | -177.9 | 178.1 | 165.8 | 0.1 | 115.9 | Y299 | Y299-R301 PolarHBondContact O-N 3.31Š|
| 302 | L | 43.2 | Very low | 58.6 | Low | 114 Ų | 114 | 81.7 Ų | 81.7 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | trans | -121 | 102.6 | -178.1 | -76.1 | 162.1 | 0 | 0 | 0 | 110.3 | Y299 S304 | Y299-L302 HydrophobicContact CD1-CD1 4.3Å; Y299-L302 PolarHBondContact O-N 3.17Å; L302-S304 PolarHBondContact O-N 2.94Å | ||
| 303 | F | 43.4 | Very low | 58.2 | Low | 202 Ų | 202 | 81.1 Ų | 81.1 | 89% | 0.886 | 40% | 0.402 | S | S | * | . | trans | -59 | 21.6 | -175.1 | -116.6 | -92.8 | 0 | 0 | 0 | 117.1 | ||||
| 304 | S | 50.8 | Low | 57.9 | Low | 92 Ų | 92 | 82.9 Ų | 82.9 | 64% | 0.643 | 41% | 0.405 | S | S | * | . | trans | -122.9 | 16.3 | -160.4 | 56.8 | 0 | 0 | 0 | 0 | 116.7 | L302 | L302-S304 PolarHBondContact O-N 2.94Š| ||
| 305 | Q | 53.1 | Low | 57.6 | Low | 90 Ų | 90 | 77.2 Ų | 77.2 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | trans | -141.7 | 67.5 | -174.4 | -79.4 | -161 | -11.8 | 0 | 0 | 112.5 | D307 F308 | Q305-D307 PolarHBondContact O-N 3.26Å; Q305-F308 HydrophobicContact CB-CD2 3.58Å; Q305-F308 HydrophobicContact CB-CE2 3.6Å; Q305-F308 VanDerWaalsContact CD-CE2 3.43Å; Q305-F308 HydrophobicContact CG-CD2 4.31Å; Q305-F308 HydrophobicContact CG-CE2 3.81Å; Q305-F308 WeakPolarHBondContact O-CD2 3.15Å | ||
| 306 | L | 53.4 | Low | 57.3 | Low | 62 Ų | 62 | 77.4 Ų | 77.4 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -27.2 | -177.4 | -85.5 | 89.4 | 0 | 0 | 0 | 114.3 | F308 S309 Y332 A335 F336 | L306-F308 PolarHBondContact O-N 3.49Å; L306-F308 VanDerWaalsContact O-N 3.16Å; L306-S309 PolarHBondContact O-N 3.49Å; L306-S309 PolarHBondContact O-OG 2.94Å; L306-Y332 HydrophobicContact CB-CE2 4.05Å; L306-Y332 HydrophobicContact CD2-CD2 4.25Å; L306-Y332 HydrophobicContact CD2-CE2 4.13Å; L306-A335 HydrophobicContact CD2-CB 4.41Å; L306-F336 HydrophobicContact CB-CE2 4.39Å; L306-F336 HydrophobicContact CD2-CD2 3.55Å; L306-F336 HydrophobicContact CD2-CE1 4.39Å; L306-F336 HydrophobicContact CD2-CE2 3.01Å; L306-F336 HydrophobicContact CD2-CG 4.46Å; L306-F336 HydrophobicContact CD2-CZ 3.5Å; L306-F336 VanDerWaalsContact CD2-CZ 3.5Å; L306-F336 HydrophobicContact CG-CE2 4.27Å |
| 307 | D | 59.3 | Low | 57.3 | Low | 127 Ų | 127 | 76.8 Ų | 76.8 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.9 | -29.3 | -179.9 | -70 | -20.6 | 0 | 0 | 0 | 113.6 | Q305 D311 | Q305-D307 PolarHBondContact O-N 3.26Å; D307-D311 PolarHBondContact O-N 3.13Å |
| 308 | F | 62.6 | Low | 57.2 | Low | 43 Ų | 43 | 75.9 Ų | 75.9 | 19% | 0.189 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76.1 | -29.4 | -176.1 | -60.5 | -81.7 | 0 | 0 | 0 | 113.3 | I269 Y292 Q305 L306 Y310 D311 L312 | I269-F308 HydrophobicContact CD1-CD1 3.95Å; I269-F308 HydrophobicContact CD1-CE1 3.34Å; I269-F308 HydrophobicContact CD1-CZ 4.3Å; Y292-F308 HydrophobicContact CE1-CD1 4.48Å; Q305-F308 HydrophobicContact CB-CD2 3.58Å; Q305-F308 HydrophobicContact CB-CE2 3.6Å; Q305-F308 VanDerWaalsContact CD-CE2 3.43Å; Q305-F308 HydrophobicContact CG-CD2 4.31Å; Q305-F308 HydrophobicContact CG-CE2 3.81Å; Q305-F308 WeakPolarHBondContact O-CD2 3.15Å; L306-F308 PolarHBondContact O-N 3.49Å; L306-F308 VanDerWaalsContact O-N 3.16Å; F308-Y310 VanDerWaalsContact C-N 3.31Å; F308-D311 PolarHBondContact O-N 3.23Å; F308-L312 WeakPolarHBondContact O-CB 3.37Å; F308-L312 PolarHBondContact O-N 3.39Å |
| 309 | S | 61.5 | Low | 57.5 | Low | 20 Ų | 20 | 74.6 Ų | 74.6 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 177.6 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | L306 A313 Y332 | L306-S309 PolarHBondContact O-N 3.49Å; L306-S309 PolarHBondContact O-OG 2.94Å; S309-A313 VanDerWaalsContact O-CB 3.31Å; S309-A313 WeakPolarHBondContact O-CB 3.4Å; S309-A313 PolarHBondContact O-N 2.85Å; S309-Y332 WeakPolarHBondContact OG-CD2 3.3Å |
| 310 | Y | 60.9 | Low | 57.7 | Low | 64 Ų | 64 | 73.3 Ų | 73.3 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.3 | -48.8 | 174.5 | 180 | -94.7 | 0 | 0 | 0 | 112 | F308 L312 A313 H314 C346 L350 | F308-Y310 VanDerWaalsContact C-N 3.31Å; Y310-L312 VanDerWaalsContact C-N 3.29Å; Y310-L312 PolarHBondContact O-N 2.9Å; Y310-A313 PolarHBondContact O-N 3.16Å; Y310-H314 WeakPolarHBondContact O-CB 3.48Å; Y310-H314 PolarHBondContact O-N 3.32Å; Y310-C346 HydrophobicContact CE2-CB 3.94Å; Y310-L350 HydrophobicContact CD2-CD1 4.19Å; Y310-L350 HydrophobicContact CE1-CD1 4.27Å; Y310-L350 HydrophobicContact CE2-CD1 3.32Å; Y310-L350 VanDerWaalsContact OH-CD1 3.28Å; Y310-L350 WeakPolarHBondContact OH-CD1 3.43Å |
| 311 | D | 63.6 | Low | 58.4 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 176.8 | -87.4 | -3.9 | 0 | 0 | 0 | 111 | K273 Y292 D307 F308 H314 L315 | K273-D311 WeakPolarHBondContact CE-OD2 3.45Å; K273-D311 IonicContact NZ-OD2 3.55Å; K273-D311 PolarHBondContact NZ-OD2 3.49Å; Y292-D311 HydrophobicContact CE1-CB 4.06Å; D307-D311 PolarHBondContact O-N 3.13Å; F308-D311 PolarHBondContact O-N 3.23Å; D311-H314 PolarHBondContact O-N 2.89Å; D311-L315 WeakPolarHBondContact O-CB 3.33Å; D311-L315 PolarHBondContact O-N 3.07Å |
| 312 | L | 66.5 | Low | 58.8 | Low | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 175.5 | 178.5 | 65.5 | 0 | 0 | 0 | 111.8 | L296 F308 Y310 H314 L315 L316 Y328 | L296-L312 HydrophobicContact CD1-CB 4.24Å; L296-L312 HydrophobicContact CD1-CD2 3.19Å; L296-L312 HydrophobicContact CD1-CG 4.22Å; F308-L312 WeakPolarHBondContact O-CB 3.37Å; F308-L312 PolarHBondContact O-N 3.39Å; Y310-L312 VanDerWaalsContact C-N 3.29Å; Y310-L312 PolarHBondContact O-N 2.9Å; L312-H314 VanDerWaalsContact C-N 3.26Å; L312-H314 PolarHBondContact O-N 2.56Å; L312-L315 PolarHBondContact O-N 3.42Å; L312-L315 VanDerWaalsContact O-N 3.11Å; L312-L316 HydrophobicContact CD1-CD1 4.18Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CD2-CD1 4.18Å; L312-L316 HydrophobicContact CG-CD1 3.82Å; L312-L316 HydrophobicContact CG-CG 4.17Å; L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.29Å; L312-Y328 HydrophobicContact CD2-CD1 4.09Å; L312-Y328 HydrophobicContact CD2-CD2 3.86Å; L312-Y328 HydrophobicContact CD2-CE1 3.86Å; L312-Y328 HydrophobicContact CD2-CE2 3.64Å; L312-Y328 HydrophobicContact CD2-CG 4.1Å |
| 313 | A | 62.6 | Low | 59.5 | Low | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | S309 Y310 L315 L316 L317 C325 L329 | S309-A313 VanDerWaalsContact O-CB 3.31Å; S309-A313 WeakPolarHBondContact O-CB 3.4Å; S309-A313 PolarHBondContact O-N 2.85Å; Y310-A313 PolarHBondContact O-N 3.16Å; A313-L315 VanDerWaalsContact C-N 3.35Å; A313-L316 PolarHBondContact O-N 3.21Å; A313-L317 WeakPolarHBondContact O-CB 3.45Å; A313-L317 PolarHBondContact O-N 3.36Å; A313-C325 PolarHBondContact O-SG 2.75Å; A313-L329 HydrophobicContact CB-CD1 4.19Å; A313-L329 HydrophobicContact CB-CD2 3.63Å; A313-L329 HydrophobicContact CB-CG 3.65Å |
| 314 | H | 63.3 | Low | 60.4 | Low | 66 Ų | 66 | 62.4 Ų | 62.4 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 176.1 | -175.3 | -108.5 | 0 | 0 | 0 | 112.8 | Y310 D311 L312 K318 L350 | Y310-H314 WeakPolarHBondContact O-CB 3.48Å; Y310-H314 PolarHBondContact O-N 3.32Å; D311-H314 PolarHBondContact O-N 2.89Å; L312-H314 VanDerWaalsContact C-N 3.26Å; L312-H314 PolarHBondContact O-N 2.56Å; H314-K318 VanDerWaalsContact CE1-CE 3.44Å; H314-K318 WeakPolarHBondContact CE1-CE 3.46Å; H314-K318 PolarHBondContact O-N 2.85Å; H314-L350 HydrophobicContact CB-CD1 4.08Å; H314-L350 HydrophobicContact CB-CD2 4.01Å |
| 315 | L | 64 | Low | 60.8 | Low | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70 | -42 | 174.8 | -169.3 | 126.1 | 0 | 0 | 0 | 112 | L276 F285 A288 G289 Y292 D311 L312 A313 L317 K318 L319 | L276-L315 HydrophobicContact CD1-CD1 3.91Å; F285-L315 HydrophobicContact CD1-CD1 4.27Å; F285-L315 HydrophobicContact CD1-CG 4.36Å; A288-L315 HydrophobicContact CB-CD1 3.77Å; G289-L315 VanDerWaalsContact CA-CD2 3.41Å; Y292-L315 HydrophobicContact CD2-CD1 4.45Å; Y292-L315 HydrophobicContact CE2-CD1 4.36Å; D311-L315 WeakPolarHBondContact O-CB 3.33Å; D311-L315 PolarHBondContact O-N 3.07Å; L312-L315 PolarHBondContact O-N 3.42Å; L312-L315 VanDerWaalsContact O-N 3.11Å; A313-L315 VanDerWaalsContact C-N 3.35Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 2.89Å; L315-K318 PolarHBondContact O-N 3.47Å; L315-L319 HydrophobicContact CD2-CD1 3.65Å; L315-L319 HydrophobicContact CG-CD1 4.42Å; L315-L319 WeakPolarHBondContact O-CG 3.34Å; L315-L319 PolarHBondContact O-N 3.32Å |
| 316 | L | 63.2 | Low | 61 | Low | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.3 | -71.9 | 171.2 | 0 | 0 | 0 | 112.4 | L312 A313 L319 G320 N321 K324 C325 Y328 | L312-L316 HydrophobicContact CD1-CD1 4.18Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CD2-CD1 4.18Å; L312-L316 HydrophobicContact CG-CD1 3.82Å; L312-L316 HydrophobicContact CG-CG 4.17Å; L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.29Å; A313-L316 PolarHBondContact O-N 3.21Å; L316-L319 CarbonylContact O-C 3.58Å; L316-L319 PolarHBondContact O-N 2.91Å; L316-G320 PolarHBondContact O-N 3.47Å; L316-N321 HydrophobicContact CD2-CB 4.29Å; L316-N321 PolarHBondContact O-N 2.81Å; L316-K324 HydrophobicContact CD1-CB 3.96Å; L316-K324 HydrophobicContact CD2-CB 4.35Å; L316-C325 HydrophobicContact CB-CB 3.91Å; L316-Y328 HydrophobicContact CD1-CD2 3.38Å; L316-Y328 HydrophobicContact CD1-CE2 3.7Å; L316-Y328 HydrophobicContact CD1-CG 4.47Å |
| 317 | L | 62.3 | Low | 61.5 | Low | 31 Ų | 31 | 60.6 Ų | 60.6 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 174 | -169.3 | 145.9 | 0 | 0 | 0 | 110.9 | A313 L315 L319 G320 L350 K353 N354 | A313-L317 WeakPolarHBondContact O-CB 3.45Å; A313-L317 PolarHBondContact O-N 3.36Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 2.89Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.13Å; L317-G320 PolarHBondContact O-N 2.99Å; L317-G320 VanDerWaalsContact O-N 3.15Å; L317-L350 HydrophobicContact CB-CD2 4.01Å; L317-L350 HydrophobicContact CD1-CD2 3.58Å; L317-L350 HydrophobicContact CD1-CG 4.41Å; L317-L350 VanDerWaalsContact CD1-O 3.26Å; L317-L350 WeakPolarHBondContact CD1-O 2.98Å; L317-L350 HydrophobicContact CG-CD2 4.32Å; L317-K353 HydrophobicContact CD1-CB 4.35Å; L317-N354 VanDerWaalsContact CD1-OD1 3.23Å; L317-N354 WeakPolarHBondContact CD1-OD1 3.25Å; L317-N354 WeakPolarHBondContact CG-OD1 3.37Å |
| 318 | K | 61.3 | Low | 61.7 | Low | 128 Ų | 128 | 58 Ų | 58 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66.6 | -31.5 | 175.2 | -74.3 | -175.2 | 174.8 | -174 | 0 | 113.4 | F285 H314 L315 G320 | F285-K318 HydrophobicContact CE1-CB 4.24Å; F285-K318 HydrophobicContact CE1-CD 3.87Å; F285-K318 HydrophobicContact CZ-CD 4.34Å; H314-K318 VanDerWaalsContact CE1-CE 3.44Å; H314-K318 WeakPolarHBondContact CE1-CE 3.46Å; H314-K318 PolarHBondContact O-N 2.85Å; L315-K318 PolarHBondContact O-N 3.47Å; K318-G320 PolarHBondContact O-N 3.29Å |
| 319 | L | 61.4 | Low | 61.5 | Low | 67 Ų | 67 | 56 Ų | 56 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.6 | 174.2 | -76.6 | 169.8 | 0 | 0 | 0 | 113.4 | F285 I286 L315 L316 L317 N321 | F285-L319 HydrophobicContact CB-CD2 3.55Å; F285-L319 HydrophobicContact CB-CG 4.13Å; F285-L319 HydrophobicContact CG-CD2 4.43Å; I286-L319 HydrophobicContact CG1-CD2 4.36Å; L315-L319 HydrophobicContact CD2-CD1 3.65Å; L315-L319 HydrophobicContact CG-CD1 4.42Å; L315-L319 WeakPolarHBondContact O-CG 3.34Å; L315-L319 PolarHBondContact O-N 3.32Å; L316-L319 CarbonylContact O-C 3.58Å; L316-L319 PolarHBondContact O-N 2.91Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.13Å; L319-N321 PolarHBondContact O-N 3.21Å |
| 320 | G | 57 | Low | 61.5 | Low | 32 Ų | 32 | 60.6 Ų | 60.6 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 13.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L316 L317 K318 Y322 | L316-G320 PolarHBondContact O-N 3.47Å; L317-G320 PolarHBondContact O-N 2.99Å; L317-G320 VanDerWaalsContact O-N 3.15Å; K318-G320 PolarHBondContact O-N 3.29Å; G320-Y322 VanDerWaalsContact C-N 3.33Å; G320-Y322 WeakPolarHBondContact O-CD2 3.36Å; G320-Y322 VanDerWaalsContact O-CE2 3.27Å; G320-Y322 WeakPolarHBondContact O-CE2 3.5Å; G320-Y322 PolarHBondContact O-N 3.27Å; G320-Y322 VanDerWaalsContact O-N 3.14Å |
| 321 | N | 64.5 | Low | 61.6 | Low | 59 Ų | 59 | 63.7 Ų | 63.7 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | trans | -89.6 | 73.5 | 177.9 | -161.2 | -30.5 | 0 | 0 | 0 | 110.3 | L316 L319 E323 K324 C325 | L316-N321 HydrophobicContact CD2-CB 4.29Å; L316-N321 PolarHBondContact O-N 2.81Å; L319-N321 PolarHBondContact O-N 3.21Å; N321-E323 PolarHBondContact O-N 3.33Å; N321-K324 WeakPolarHBondContact OD1-CG 3.32Å; N321-C325 WeakPolarHBondContact O-CB 3.36Å; N321-C325 PolarHBondContact O-N 3.24Å; N321-C325 VanDerWaalsContact O-N 3.08Å | ||
| 322 | Y | 56.8 | Low | 61.4 | Low | 96 Ų | 96 | 62.4 Ų | 62.4 | 38% | 0.376 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | -170.8 | -57.4 | -69.1 | 0 | 0 | 0 | 113.2 | G320 C325 E326 N354 | G320-Y322 VanDerWaalsContact C-N 3.33Å; G320-Y322 WeakPolarHBondContact O-CD2 3.36Å; G320-Y322 VanDerWaalsContact O-CE2 3.27Å; G320-Y322 WeakPolarHBondContact O-CE2 3.5Å; G320-Y322 PolarHBondContact O-N 3.27Å; G320-Y322 VanDerWaalsContact O-N 3.14Å; Y322-C325 WeakPolarHBondContact O-CB 3.28Å; Y322-C325 PolarHBondContact O-N 2.93Å; Y322-E326 WeakPolarHBondContact O-CB 3.28Å; Y322-E326 PolarHBondContact O-N 2.91Å; Y322-N354 HydrophobicContact CD1-CB 4.5Å; Y322-N354 WeakPolarHBondContact CD1-OD1 3.5Å; Y322-N354 VanDerWaalsContact CE1-OD1 3.31Å; Y322-N354 WeakPolarHBondContact CE1-OD1 3.4Å |
| 323 | E | 58.1 | Low | 60.9 | Low | 144 Ų | 144 | 64.4 Ų | 64.4 | 67% | 0.673 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | -178 | -66.2 | -178 | 180 | 0 | 0 | 112.3 | N321 E326 R327 | N321-E323 PolarHBondContact O-N 3.33Å; E323-E326 PolarHBondContact O-N 3.21Å; E323-R327 WeakPolarHBondContact O-CG 3.44Å; E323-R327 PolarHBondContact O-N 3.17Å; E323-R327 VanDerWaalsContact O-N 3.07Å |
| 324 | K | 62 | Low | 60.9 | Low | 115 Ų | 115 | 68.9 Ų | 68.9 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.9 | -68.8 | -171.9 | -175.9 | -179.7 | 0 | 110.4 | L316 N321 E326 R327 Y328 | L316-K324 HydrophobicContact CD1-CB 3.96Å; L316-K324 HydrophobicContact CD2-CB 4.35Å; N321-K324 WeakPolarHBondContact OD1-CG 3.32Å; K324-E326 VanDerWaalsContact C-N 3.31Å; K324-E326 PolarHBondContact O-N 2.93Å; K324-R327 PolarHBondContact O-N 3.45Å; K324-Y328 HydrophobicContact CB-CE2 4.44Å; K324-Y328 WeakPolarHBondContact O-CD2 3.05Å; K324-Y328 PolarHBondContact O-N 3.02Å |
| 325 | C | 60.4 | Low | 60.7 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54 | -48.3 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | A313 L316 N321 Y322 R327 Y328 L329 | A313-C325 PolarHBondContact O-SG 2.75Å; L316-C325 HydrophobicContact CB-CB 3.91Å; N321-C325 WeakPolarHBondContact O-CB 3.36Å; N321-C325 PolarHBondContact O-N 3.24Å; N321-C325 VanDerWaalsContact O-N 3.08Å; Y322-C325 WeakPolarHBondContact O-CB 3.28Å; Y322-C325 PolarHBondContact O-N 2.93Å; C325-R327 PolarHBondContact O-N 3.37Å; C325-Y328 PolarHBondContact O-N 2.97Å; C325-L329 WeakPolarHBondContact O-CB 3.46Å; C325-L329 VanDerWaalsContact O-CG 3.3Å; C325-L329 WeakPolarHBondContact O-CG 3.39Å; C325-L329 PolarHBondContact O-N 3.12Å; C325-L329 VanDerWaalsContact SG-CD1 3.54Å |
| 326 | E | 56.5 | Low | 60.3 | Low | 36 Ų | 36 | 69.6 Ų | 69.6 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 178.4 | -171.2 | -179.8 | 171.8 | 0 | 0 | 112 | Y322 E323 K324 Y328 L329 R330 N363 | Y322-E326 WeakPolarHBondContact O-CB 3.28Å; Y322-E326 PolarHBondContact O-N 2.91Å; E323-E326 PolarHBondContact O-N 3.21Å; K324-E326 VanDerWaalsContact C-N 3.31Å; K324-E326 PolarHBondContact O-N 2.93Å; E326-Y328 PolarHBondContact O-N 3.03Å; E326-L329 PolarHBondContact O-N 3.42Å; E326-R330 HydrophobicContact CG-CG 4.4Å; E326-R330 WeakPolarHBondContact O-CB 3.34Å; E326-R330 WeakPolarHBondContact O-CG 3.39Å; E326-R330 PolarHBondContact O-N 2.93Å; E326-R330 IonicContact OE1-CZ 3.61Å; E326-R330 VanDerWaalsContact OE1-CZ 3.28Å; E326-R330 IonicContact OE1-NE 2.63Å; E326-R330 PolarHBondContact OE1-NE 3.22Å; E326-R330 VanDerWaalsContact OE1-NE 3.1Å; E326-R330 IonicContact OE1-NH2 3.23Å; E326-R330 PolarHBondContact OE1-NH2 3.2Å; E326-N363 PolarHBondContact OE1-ND2 3.49Å |
| 327 | R | 63.6 | Low | 59.9 | Low | 170 Ų | 170 | 76.9 Ų | 76.9 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.8 | -46.2 | 177.4 | -72.7 | -178.8 | -176.3 | -176.1 | 3.3 | 112.7 | E323 K324 C325 R330 Q331 | E323-R327 WeakPolarHBondContact O-CG 3.44Å; E323-R327 PolarHBondContact O-N 3.17Å; E323-R327 VanDerWaalsContact O-N 3.07Å; K324-R327 PolarHBondContact O-N 3.45Å; C325-R327 PolarHBondContact O-N 3.37Å; R327-R330 PolarHBondContact O-N 2.88Å; R327-Q331 WeakPolarHBondContact O-CG 3.4Å; R327-Q331 PolarHBondContact O-N 3.2Å |
| 328 | Y | 62.6 | Low | 59.3 | Low | 71 Ų | 71 | 80 Ų | 80 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 178.6 | -74.8 | -68.3 | 0 | 0 | 0 | 112.2 | L296 L312 L316 K324 C325 E326 Q331 Y332 | L296-Y328 HydrophobicContact CD1-CE1 4.48Å; L312-Y328 HydrophobicContact CD2-CD1 4.09Å; L312-Y328 HydrophobicContact CD2-CD2 3.86Å; L312-Y328 HydrophobicContact CD2-CE1 3.86Å; L312-Y328 HydrophobicContact CD2-CE2 3.64Å; L312-Y328 HydrophobicContact CD2-CG 4.1Å; L316-Y328 HydrophobicContact CD1-CD2 3.38Å; L316-Y328 HydrophobicContact CD1-CE2 3.7Å; L316-Y328 HydrophobicContact CD1-CG 4.47Å; K324-Y328 HydrophobicContact CB-CE2 4.44Å; K324-Y328 WeakPolarHBondContact O-CD2 3.05Å; K324-Y328 PolarHBondContact O-N 3.02Å; C325-Y328 PolarHBondContact O-N 2.97Å; E326-Y328 PolarHBondContact O-N 3.03Å; Y328-Q331 PolarHBondContact O-N 3.1Å; Y328-Y332 WeakPolarHBondContact O-CB 3.44Å; Y328-Y332 PolarHBondContact O-N 3.29Å |
| 329 | L | 59.6 | Low | 58.7 | Low | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.1 | -72.5 | 166.7 | 0 | 0 | 0 | 110.7 | A313 C325 E326 Q331 Y332 F333 L351 | A313-L329 HydrophobicContact CB-CD1 4.19Å; A313-L329 HydrophobicContact CB-CD2 3.63Å; A313-L329 HydrophobicContact CB-CG 3.65Å; C325-L329 WeakPolarHBondContact O-CB 3.46Å; C325-L329 VanDerWaalsContact O-CG 3.3Å; C325-L329 WeakPolarHBondContact O-CG 3.39Å; C325-L329 PolarHBondContact O-N 3.12Å; C325-L329 VanDerWaalsContact SG-CD1 3.54Å; E326-L329 PolarHBondContact O-N 3.42Å; L329-Q331 PolarHBondContact O-N 3.18Å; L329-Y332 CarbonylContact O-C 3.56Å; L329-Y332 WeakPolarHBondContact O-CB 3.39Å; L329-Y332 PolarHBondContact O-N 2.9Å; L329-Y332 VanDerWaalsContact O-N 3.16Å; L329-F333 WeakPolarHBondContact O-CD2 3.23Å; L329-F333 PolarHBondContact O-N 3.46Å; L329-L351 HydrophobicContact CB-CD1 4.46Å; L329-L351 HydrophobicContact CB-CD2 3.79Å; L329-L351 HydrophobicContact CB-CG 4.14Å; L329-L351 HydrophobicContact CD1-CD2 3.4Å; L329-L351 VanDerWaalsContact CD1-CD2 3.4Å; L329-L351 HydrophobicContact CD1-CG 3.76Å; L329-L351 HydrophobicContact CG-CD2 4.19Å; L329-L351 HydrophobicContact CG-CG 4.43Å |
| 330 | R | 60.4 | Low | 58.4 | Low | 118 Ų | 118 | 83.4 Ų | 83.4 | 45% | 0.445 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 174.9 | -74.8 | -179.2 | -174.6 | -146.9 | 3.8 | 112.4 | E326 R327 Y332 F333 D334 N363 | E326-R330 HydrophobicContact CG-CG 4.4Å; E326-R330 WeakPolarHBondContact O-CB 3.34Å; E326-R330 WeakPolarHBondContact O-CG 3.39Å; E326-R330 PolarHBondContact O-N 2.93Å; E326-R330 IonicContact OE1-CZ 3.61Å; E326-R330 VanDerWaalsContact OE1-CZ 3.28Å; E326-R330 IonicContact OE1-NE 2.63Å; E326-R330 PolarHBondContact OE1-NE 3.22Å; E326-R330 VanDerWaalsContact OE1-NE 3.1Å; E326-R330 IonicContact OE1-NH2 3.23Å; E326-R330 PolarHBondContact OE1-NH2 3.2Å; R327-R330 PolarHBondContact O-N 2.88Å; R330-Y332 VanDerWaalsContact C-N 3.27Å; R330-Y332 PolarHBondContact O-N 3.22Å; R330-F333 CarbonylContact O-C 3.58Å; R330-F333 PolarHBondContact O-N 3.05Å; R330-F333 VanDerWaalsContact O-N 3.09Å; R330-D334 PolarHBondContact O-N 3.48Å; R330-N363 PolarHBondContact NH2-ND2 3.43Å; R330-N363 PolarHBondContact NH2-OD1 3.37Å |
| 331 | Q | 64.1 | Low | 58.1 | Low | 128 Ų | 128 | 88.3 Ų | 88.3 | 60% | 0.598 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.6 | -39.6 | 175.5 | -74.3 | 177.7 | -5.7 | 0 | 0 | 111.9 | R327 Y328 L329 A335 | R327-Q331 WeakPolarHBondContact O-CG 3.4Å; R327-Q331 PolarHBondContact O-N 3.2Å; Y328-Q331 PolarHBondContact O-N 3.1Å; L329-Q331 PolarHBondContact O-N 3.18Å; Q331-A335 PolarHBondContact O-N 3.17Å |
| 332 | Y | 58.8 | Low | 57.6 | Low | 18 Ų | 18 | 92.8 Ų | 92.8 | 7% | 0.071 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 173.3 | -176.7 | -98.3 | 0 | 0 | 0 | 112.2 | L306 S309 Y328 L329 R330 A335 F336 S343 | L306-Y332 HydrophobicContact CB-CE2 4.05Å; L306-Y332 HydrophobicContact CD2-CD2 4.25Å; L306-Y332 HydrophobicContact CD2-CE2 4.13Å; S309-Y332 WeakPolarHBondContact OG-CD2 3.3Å; Y328-Y332 WeakPolarHBondContact O-CB 3.44Å; Y328-Y332 PolarHBondContact O-N 3.29Å; L329-Y332 CarbonylContact O-C 3.56Å; L329-Y332 WeakPolarHBondContact O-CB 3.39Å; L329-Y332 PolarHBondContact O-N 2.9Å; L329-Y332 VanDerWaalsContact O-N 3.16Å; R330-Y332 VanDerWaalsContact C-N 3.27Å; R330-Y332 PolarHBondContact O-N 3.22Å; Y332-A335 PolarHBondContact O-N 2.78Å; Y332-F336 HydrophobicContact CD1-CD2 4.16Å; Y332-F336 HydrophobicContact CD2-CD2 4.23Å; Y332-F336 HydrophobicContact CD2-CE2 4.21Å; Y332-F336 AromaticContact CE1-CD2 3.8Å; Y332-F336 HydrophobicContact CE1-CD2 3.8Å; Y332-F336 AromaticContact CE1-CE2 3.98Å; Y332-F336 HydrophobicContact CE1-CE2 3.98Å; Y332-F336 AromaticContact CE2-CD2 3.96Å; Y332-F336 HydrophobicContact CE2-CD2 3.96Å; Y332-F336 AromaticContact CE2-CE2 3.56Å; Y332-F336 HydrophobicContact CE2-CE2 3.56Å; Y332-F336 HydrophobicContact CG-CD2 4.38Å; Y332-F336 AromaticContact CZ-CD2 3.73Å; Y332-F336 AromaticContact CZ-CE2 3.41Å; Y332-F336 VanDerWaalsContact CZ-CE2 3.41Å; Y332-F336 PolarHBondContact O-N 3Å; Y332-F336 WeakPolarHBondContact OH-CE2 3.49Å; Y332-S343 WeakPolarHBondContact OH-CB 3.11Å |
| 333 | F | 57.5 | Low | 57.4 | Low | 47 Ų | 47 | 89.6 Ų | 89.6 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.7 | -85.7 | -73.8 | 0 | 0 | 0 | 113 | L329 R330 A335 F336 K337 S347 L348 L351 | L329-F333 WeakPolarHBondContact O-CD2 3.23Å; L329-F333 PolarHBondContact O-N 3.46Å; R330-F333 CarbonylContact O-C 3.58Å; R330-F333 PolarHBondContact O-N 3.05Å; R330-F333 VanDerWaalsContact O-N 3.09Å; F333-A335 VanDerWaalsContact C-N 3.26Å; F333-A335 PolarHBondContact O-N 3Å; F333-F336 CarbonylContact O-C 3.58Å; F333-F336 PolarHBondContact O-N 3.39Å; F333-K337 PolarHBondContact O-N 2.96Å; F333-S347 WeakPolarHBondContact CZ-OG 3.42Å; F333-L348 HydrophobicContact CE1-CD2 3.8Å; F333-L348 HydrophobicContact CE1-CG 3.98Å; F333-L348 HydrophobicContact CZ-CD2 3.55Å; F333-L348 HydrophobicContact CZ-CG 3.71Å; F333-L351 HydrophobicContact CD2-CD1 3.86Å; F333-L351 HydrophobicContact CE2-CD1 3.23Å; F333-L351 HydrophobicContact CE2-CG 4.13Å; F333-L351 HydrophobicContact CZ-CD1 3.94Å |
| 334 | D | 62.1 | Low | 57.3 | Low | 93 Ų | 93 | 84.5 Ų | 84.5 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 178.6 | -82.5 | -37.3 | 0 | 0 | 0 | 111.7 | R330 F336 K337 | R330-D334 PolarHBondContact O-N 3.48Å; D334-F336 VanDerWaalsContact C-N 3.3Å; D334-F336 PolarHBondContact O-N 2.83Å; D334-K337 WeakPolarHBondContact OD1-CE 3.3Å; D334-K337 IonicContact OD1-NZ 2.62Å; D334-K337 PolarHBondContact OD1-NZ 3.47Å |
| 335 | A | 58.8 | Low | 56.8 | Low | 58 Ų | 58 | 80.4 Ų | 80.4 | 48% | 0.479 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.6 | -25 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L306 Q331 Y332 F333 | L306-A335 HydrophobicContact CD2-CB 4.41Å; Q331-A335 PolarHBondContact O-N 3.17Å; Y332-A335 PolarHBondContact O-N 2.78Å; F333-A335 VanDerWaalsContact C-N 3.26Å; F333-A335 PolarHBondContact O-N 3Å |
| 336 | F | 55.4 | Low | 56.6 | Low | 34 Ų | 34 | 83.1 Ų | 83.1 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 18.4 | -175.2 | -93 | -62.6 | 0 | 0 | 0 | 115.1 | L306 Y332 F333 D334 S338 D340 | L306-F336 HydrophobicContact CB-CE2 4.39Å; L306-F336 HydrophobicContact CD2-CD2 3.55Å; L306-F336 HydrophobicContact CD2-CE1 4.39Å; L306-F336 HydrophobicContact CD2-CE2 3.01Å; L306-F336 HydrophobicContact CD2-CG 4.46Å; L306-F336 HydrophobicContact CD2-CZ 3.5Å; L306-F336 VanDerWaalsContact CD2-CZ 3.5Å; L306-F336 HydrophobicContact CG-CE2 4.27Å; Y332-F336 HydrophobicContact CD1-CD2 4.16Å; Y332-F336 HydrophobicContact CD2-CD2 4.23Å; Y332-F336 HydrophobicContact CD2-CE2 4.21Å; Y332-F336 AromaticContact CE1-CD2 3.8Å; Y332-F336 HydrophobicContact CE1-CD2 3.8Å; Y332-F336 AromaticContact CE1-CE2 3.98Å; Y332-F336 HydrophobicContact CE1-CE2 3.98Å; Y332-F336 AromaticContact CE2-CD2 3.96Å; Y332-F336 HydrophobicContact CE2-CD2 3.96Å; Y332-F336 AromaticContact CE2-CE2 3.56Å; Y332-F336 HydrophobicContact CE2-CE2 3.56Å; Y332-F336 HydrophobicContact CG-CD2 4.38Å; Y332-F336 AromaticContact CZ-CD2 3.73Å; Y332-F336 AromaticContact CZ-CE2 3.41Å; Y332-F336 VanDerWaalsContact CZ-CE2 3.41Å; Y332-F336 PolarHBondContact O-N 3Å; Y332-F336 WeakPolarHBondContact OH-CE2 3.49Å; F333-F336 CarbonylContact O-C 3.58Å; F333-F336 PolarHBondContact O-N 3.39Å; D334-F336 VanDerWaalsContact C-N 3.3Å; D334-F336 PolarHBondContact O-N 2.83Å; F336-S338 PolarHBondContact O-N 3.41Å; F336-D340 HydrophobicContact CD1-CB 4.29Å; F336-D340 HydrophobicContact CE1-CB 3.8Å |
| 337 | K | 54.4 | Low | 56.4 | Low | 168 Ų | 168 | 81.4 Ų | 81.4 | 73% | 0.73 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -58 | -5.6 | 177.1 | -85 | 177.5 | 175.8 | 156.8 | 0 | 115.3 | F333 D334 | F333-K337 PolarHBondContact O-N 2.96Å; D334-K337 WeakPolarHBondContact OD1-CE 3.3Å; D334-K337 IonicContact OD1-NZ 2.62Å; D334-K337 PolarHBondContact OD1-NZ 3.47Å |
| 338 | S | 50.6 | Low | 55.9 | Low | 98 Ų | 98 | 74 Ų | 74 | 69% | 0.685 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -132.1 | -26.8 | -173.3 | 54.7 | 0 | 0 | 0 | 0 | 120.1 | F336 | F336-S338 PolarHBondContact O-N 3.41Š|
| 339 | Q | 48.4 | Very low | 55.6 | Low | 163 Ų | 163 | 74.3 Ų | 74.3 | 76% | 0.762 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -147.4 | 9.7 | -160.9 | -78.3 | -170.6 | -25.3 | 0 | 0 | 122.8 | ||
| 340 | D | 54.3 | Low | 55.4 | Low | 102 Ų | 102 | 74.6 Ų | 74.6 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | trans | -144.9 | 119.7 | 168.4 | -90.7 | -45.9 | 0 | 0 | 0 | 115 | F336 S343 N344 | F336-D340 HydrophobicContact CD1-CB 4.29Å; F336-D340 HydrophobicContact CE1-CB 3.8Å; D340-S343 WeakPolarHBondContact CB-OG 3.34Å; D340-S343 PolarHBondContact O-OG 3.22Å; D340-S343 VanDerWaalsContact O-OG 3.12Å; D340-N344 PolarHBondContact O-ND2 3.45Å; D340-N344 VanDerWaalsContact O-ND2 3.16Å | ||
| 341 | E | 52.3 | Low | 55 | Low | 136 Ų | 136 | 69.8 Ų | 69.8 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -80 | -29.9 | -169.3 | -63.4 | 176.2 | 167.8 | 0 | 0 | 113.9 | ||
| 342 | K | 53.8 | Low | 54.5 | Low | 153 Ų | 153 | 64.2 Ų | 64.2 | 67% | 0.665 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -82.6 | -33.3 | -176.8 | -75.3 | 178.5 | 179.5 | 172.2 | 0 | 113.5 | N344 L345 | K342-N344 VanDerWaalsContact C-N 3.34Å; K342-L345 PolarHBondContact O-N 3.09Å |
| 343 | S | 51.9 | Low | 54.3 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | Y332 D340 L345 C346 S347 | Y332-S343 WeakPolarHBondContact OH-CB 3.11Å; D340-S343 WeakPolarHBondContact CB-OG 3.34Å; D340-S343 PolarHBondContact O-OG 3.22Å; D340-S343 VanDerWaalsContact O-OG 3.12Å; S343-L345 PolarHBondContact O-N 2.86Å; S343-C346 PolarHBondContact O-N 3.03Å; S343-S347 PolarHBondContact O-N 3.45Å; S343-S347 PolarHBondContact O-OG 3Å |
| 344 | N | 55.3 | Low | 54.1 | Low | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.203 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 173.8 | -75.3 | -25 | 0 | 0 | 0 | 112.8 | D340 K342 C346 S347 L348 | D340-N344 PolarHBondContact O-ND2 3.45Å; D340-N344 VanDerWaalsContact O-ND2 3.16Å; K342-N344 VanDerWaalsContact C-N 3.34Å; N344-C346 PolarHBondContact O-N 3.32Å; N344-S347 WeakPolarHBondContact CA-OG 3.42Å; N344-S347 PolarHBondContact O-N 3.24Å; N344-S347 PolarHBondContact O-OG 3.12Å; N344-L348 WeakPolarHBondContact O-CB 3.47Å; N344-L348 WeakPolarHBondContact O-CD1 3.46Å; N344-L348 WeakPolarHBondContact O-CG 3.12Å; N344-L348 PolarHBondContact O-N 3.44Å |
| 345 | L | 51.7 | Low | 53.5 | Low | 29 Ų | 29 | 70.1 Ų | 70.1 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | -179.6 | -170 | 70.9 | 0 | 0 | 0 | 112.9 | K342 S343 K349 A374 F378 | K342-L345 PolarHBondContact O-N 3.09Å; S343-L345 PolarHBondContact O-N 2.86Å; L345-K349 WeakPolarHBondContact O-CG 3.43Å; L345-K349 PolarHBondContact O-N 3.12Å; L345-K349 VanDerWaalsContact O-N 3.17Å; L345-A374 HydrophobicContact CD1-CB 3.29Å; L345-F378 HydrophobicContact CD2-CD2 4.5Å |
| 346 | C | 55.9 | Low | 53.2 | Low | 56 Ų | 56 | 76.1 Ų | 76.1 | 38% | 0.378 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.8 | -36.1 | -179.5 | -78.3 | 0 | 0 | 0 | 0 | 112.8 | Y310 S343 N344 L350 | Y310-C346 HydrophobicContact CE2-CB 3.94Å; S343-C346 PolarHBondContact O-N 3.03Å; N344-C346 PolarHBondContact O-N 3.32Å; C346-L350 PolarHBondContact O-N 3Å |
| 347 | S | 53.9 | Low | 53.1 | Low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.8 | -36.6 | 175.6 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | F333 S343 N344 L350 L351 | F333-S347 WeakPolarHBondContact CZ-OG 3.42Å; S343-S347 PolarHBondContact O-N 3.45Å; S343-S347 PolarHBondContact O-OG 3Å; N344-S347 WeakPolarHBondContact CA-OG 3.42Å; N344-S347 PolarHBondContact O-N 3.24Å; N344-S347 PolarHBondContact O-OG 3.12Å; S347-L350 WeakPolarHBondContact O-CB 3.33Å; S347-L350 PolarHBondContact O-N 2.66Å; S347-L350 VanDerWaalsContact O-N 3.13Å; S347-L351 PolarHBondContact O-N 2.86Å |
| 348 | L | 53 | Low | 53.1 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 174.7 | -69.2 | 162.8 | 0 | 0 | 0 | 112.6 | F333 N344 L350 L351 A352 L367 A370 | F333-L348 HydrophobicContact CE1-CD2 3.8Å; F333-L348 HydrophobicContact CE1-CG 3.98Å; F333-L348 HydrophobicContact CZ-CD2 3.55Å; F333-L348 HydrophobicContact CZ-CG 3.71Å; N344-L348 WeakPolarHBondContact O-CB 3.47Å; N344-L348 WeakPolarHBondContact O-CD1 3.46Å; N344-L348 WeakPolarHBondContact O-CG 3.12Å; N344-L348 PolarHBondContact O-N 3.44Å; L348-L350 PolarHBondContact O-N 3.06Å; L348-L351 PolarHBondContact O-N 3.28Å; L348-A352 PolarHBondContact O-N 3.32Å; L348-L367 HydrophobicContact CD2-CD2 4.02Å; L348-A370 HydrophobicContact CD1-CB 3.39Å; L348-A370 HydrophobicContact CD2-CB 3.45Å; L348-A370 VanDerWaalsContact CD2-CB 3.45Å; L348-A370 HydrophobicContact CG-CB 4.04Å |
| 349 | K | 55.6 | Low | 53.1 | Low | 78 Ų | 78 | 70.5 Ų | 70.5 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -30.9 | 172.3 | -78.6 | 175.9 | -177.2 | 171.7 | 0 | 112.4 | L345 K353 E383 F386 | L345-K349 WeakPolarHBondContact O-CG 3.43Å; L345-K349 PolarHBondContact O-N 3.12Å; L345-K349 VanDerWaalsContact O-N 3.17Å; K349-K353 PolarHBondContact O-N 2.9Å; K349-E383 IonicContact NZ-OE1 3.05Å; K349-E383 PolarHBondContact NZ-OE1 3.06Å; K349-F386 HydrophobicContact CG-CE1 4.37Å |
| 350 | L | 54.5 | Low | 53.5 | Low | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -80 | -44.7 | 178.8 | -115.2 | 132.1 | 0 | 0 | 0 | 112.1 | Y310 H314 L317 C346 S347 L348 K353 | Y310-L350 HydrophobicContact CD2-CD1 4.19Å; Y310-L350 HydrophobicContact CE1-CD1 4.27Å; Y310-L350 HydrophobicContact CE2-CD1 3.32Å; Y310-L350 VanDerWaalsContact OH-CD1 3.28Å; Y310-L350 WeakPolarHBondContact OH-CD1 3.43Å; H314-L350 HydrophobicContact CB-CD1 4.08Å; H314-L350 HydrophobicContact CB-CD2 4.01Å; L317-L350 HydrophobicContact CB-CD2 4.01Å; L317-L350 HydrophobicContact CD1-CD2 3.58Å; L317-L350 HydrophobicContact CD1-CG 4.41Å; L317-L350 VanDerWaalsContact CD1-O 3.26Å; L317-L350 WeakPolarHBondContact CD1-O 2.98Å; L317-L350 HydrophobicContact CG-CD2 4.32Å; C346-L350 PolarHBondContact O-N 3Å; S347-L350 WeakPolarHBondContact O-CB 3.33Å; S347-L350 PolarHBondContact O-N 2.66Å; S347-L350 VanDerWaalsContact O-N 3.13Å; L348-L350 PolarHBondContact O-N 3.06Å; L350-K353 PolarHBondContact O-N 2.88Å |
| 351 | L | 53.5 | Low | 53.5 | Low | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 174.8 | -79.2 | 179.2 | 0 | 0 | 0 | 112 | L329 F333 S347 L348 K353 N354 L367 | L329-L351 HydrophobicContact CB-CD1 4.46Å; L329-L351 HydrophobicContact CB-CD2 3.79Å; L329-L351 HydrophobicContact CB-CG 4.14Å; L329-L351 HydrophobicContact CD1-CD2 3.4Å; L329-L351 VanDerWaalsContact CD1-CD2 3.4Å; L329-L351 HydrophobicContact CD1-CG 3.76Å; L329-L351 HydrophobicContact CG-CD2 4.19Å; L329-L351 HydrophobicContact CG-CG 4.43Å; F333-L351 HydrophobicContact CD2-CD1 3.86Å; F333-L351 HydrophobicContact CE2-CD1 3.23Å; F333-L351 HydrophobicContact CE2-CG 4.13Å; F333-L351 HydrophobicContact CZ-CD1 3.94Å; S347-L351 PolarHBondContact O-N 2.86Å; L348-L351 PolarHBondContact O-N 3.28Å; L351-K353 PolarHBondContact O-N 3.33Å; L351-N354 WeakPolarHBondContact O-CA 3.18Å; L351-N354 WeakPolarHBondContact O-CB 3.48Å; L351-N354 PolarHBondContact O-N 2.98Å; L351-L367 HydrophobicContact CB-CD2 3.72Å; L351-L367 HydrophobicContact CD1-CD2 3.77Å; L351-L367 HydrophobicContact CG-CD2 4.4Å |
| 352 | A | 52 | Low | 53.7 | Low | 12 Ų | 12 | 63 Ų | 63 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L348 N354 F386 L390 | L348-A352 PolarHBondContact O-N 3.32Å; A352-N354 VanDerWaalsContact C-N 3.31Å; A352-F386 HydrophobicContact CB-CE1 3.63Å; A352-F386 HydrophobicContact CB-CE2 4.09Å; A352-F386 HydrophobicContact CB-CZ 3.18Å; A352-L390 HydrophobicContact CB-CD1 3.75Å; A352-L390 HydrophobicContact CB-CD2 3.95Å; A352-L390 HydrophobicContact CB-CG 4.33Å |
| 353 | K | 55.2 | Low | 54 | Low | 150 Ų | 150 | 57.1 Ų | 57.1 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.7 | 162.7 | -90.9 | -176.6 | 177.4 | -179.9 | 0 | 112.7 | L317 K349 L350 L351 E355 | L317-K353 HydrophobicContact CD1-CB 4.35Å; K349-K353 PolarHBondContact O-N 2.9Å; L350-K353 PolarHBondContact O-N 2.88Å; L351-K353 PolarHBondContact O-N 3.33Å; K353-E355 VanDerWaalsContact C-N 3.26Å; K353-E355 PolarHBondContact O-N 3.4Å; K353-E355 VanDerWaalsContact O-N 3.08Å |
| 354 | N | 53.3 | Low | 54.4 | Low | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | trans | -81.7 | 75.5 | 169.2 | -74.1 | -17.5 | 0 | 0 | 0 | 109.3 | L317 Y322 L351 A352 R356 S357 | L317-N354 VanDerWaalsContact CD1-OD1 3.23Å; L317-N354 WeakPolarHBondContact CD1-OD1 3.25Å; L317-N354 WeakPolarHBondContact CG-OD1 3.37Å; Y322-N354 HydrophobicContact CD1-CB 4.5Å; Y322-N354 WeakPolarHBondContact CD1-OD1 3.5Å; Y322-N354 VanDerWaalsContact CE1-OD1 3.31Å; Y322-N354 WeakPolarHBondContact CE1-OD1 3.4Å; L351-N354 WeakPolarHBondContact O-CA 3.18Å; L351-N354 WeakPolarHBondContact O-CB 3.48Å; L351-N354 PolarHBondContact O-N 2.98Å; A352-N354 VanDerWaalsContact C-N 3.31Å; N354-R356 PolarHBondContact O-N 2.6Å; N354-S357 PolarHBondContact O-N 2.99Å; N354-S357 PolarHBondContact O-OG 2.98Å | ||
| 355 | E | 50.2 | Low | 54.7 | Low | 126 Ų | 126 | 59.6 Ų | 59.6 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -17.5 | 172.9 | -69.3 | -180 | 167.2 | 0 | 0 | 112.6 | K353 | K353-E355 VanDerWaalsContact C-N 3.26Å; K353-E355 PolarHBondContact O-N 3.4Å; K353-E355 VanDerWaalsContact O-N 3.08Å |
| 356 | R | 52.7 | Low | 55.1 | Low | 184 Ų | 184 | 64.6 Ų | 64.6 | 69% | 0.694 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -5.5 | 176.5 | -65.9 | -176.9 | 179.9 | 177.3 | -0.1 | 115.3 | N354 I358 H359 | N354-R356 PolarHBondContact O-N 2.6Å; R356-I358 VanDerWaalsContact C-N 3.34Å; R356-H359 PolarHBondContact O-CD2 2.86Å |
| 357 | S | 51.8 | Low | 55.3 | Low | 10 Ų | 10 | 62.7 Ų | 62.7 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | trans | -92.4 | 11.6 | 178.9 | 83 | 0 | 0 | 0 | 0 | 114 | N354 H359 | N354-S357 PolarHBondContact O-N 2.99Å; N354-S357 PolarHBondContact O-OG 2.98Å; S357-H359 PolarHBondContact O-N 2.84Å | ||
| 358 | I | 54.5 | Low | 55.8 | Low | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | trans | -79.9 | 45 | 175.8 | -48.5 | 179.1 | 0 | 0 | 0 | 109.6 | R356 V364 F397 | R356-I358 VanDerWaalsContact C-N 3.34Å; I358-V364 HydrophobicContact CG2-CG2 3.39Å; I358-F397 HydrophobicContact CG2-CB 4.12Å; I358-F397 HydrophobicContact CG2-CD1 4.01Å; I358-F397 HydrophobicContact CG2-CD2 4.11Å; I358-F397 HydrophobicContact CG2-CE1 4.38Å; I358-F397 HydrophobicContact CG2-CG 3.83Å; I358-F397 WeakPolarHBondContact O-CE2 3.37Å; I358-F397 WeakPolarHBondContact O-CZ 3.12Å | ||
| 359 | H | 52.3 | Low | 56.3 | Low | 156 Ų | 156 | 66.1 Ų | 66.1 | 72% | 0.722 | 32% | 0.316 | S | S | * | . | trans | -103.4 | 92.5 | 173.7 | -69.7 | -47.8 | 0 | 0 | 0 | 108.7 | R356 S357 | R356-H359 PolarHBondContact O-CD2 2.86Å; S357-H359 PolarHBondContact O-N 2.84Å | ||
| 360 | G | 56.1 | Low | 56.3 | Low | 35 Ų | 35 | 63.6 Ų | 63.6 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 127.8 | 133.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D362 N363 V364 | G360-D362 VanDerWaalsContact C-N 3.33Å; G360-D362 PolarHBondContact O-N 3.4Å; G360-N363 PolarHBondContact O-N 3.44Å; G360-V364 WeakPolarHBondContact O-CG2 3.44Å |
| 361 | E | 53.6 | Low | 56.7 | Low | 85 Ų | 85 | 63.5 Ų | 63.5 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | -178.5 | -65.5 | -165.4 | 120.7 | 0 | 0 | 112.4 | N363 V364 E365 Y398 K406 | E361-N363 VanDerWaalsContact C-N 3.33Å; E361-N363 PolarHBondContact O-N 2.98Å; E361-V364 WeakPolarHBondContact O-CB 3.46Å; E361-V364 PolarHBondContact O-N 2.91Å; E361-V364 VanDerWaalsContact O-N 3.1Å; E361-E365 PolarHBondContact O-N 3.31Å; E361-Y398 WeakPolarHBondContact OE1-CE1 3.49Å; E361-K406 IonicContact OE1-NZ 3.91Å; E361-K406 PolarHBondContact OE1-NZ 3.38Å |
| 362 | D | 57 | Low | 57.2 | Low | 123 Ų | 123 | 67.6 Ų | 67.6 | 66% | 0.658 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.7 | -39.5 | -176.7 | -58.4 | -17.9 | 0 | 0 | 0 | 112.5 | G360 V364 H366 | G360-D362 VanDerWaalsContact C-N 3.33Å; G360-D362 PolarHBondContact O-N 3.4Å; D362-V364 VanDerWaalsContact C-N 3.28Å; D362-V364 PolarHBondContact O-N 3.33Å; D362-H366 PolarHBondContact O-CD2 3.46Å; D362-H366 PolarHBondContact O-N 3.34Å |
| 363 | N | 59.7 | Low | 57.5 | Low | 31 Ų | 31 | 74 Ų | 74 | 17% | 0.166 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 178.3 | -83.8 | -1.9 | 0 | 0 | 0 | 111.6 | E326 R330 G360 E361 L367 | E326-N363 PolarHBondContact OE1-ND2 3.49Å; R330-N363 PolarHBondContact NH2-ND2 3.43Å; R330-N363 PolarHBondContact NH2-OD1 3.37Å; G360-N363 PolarHBondContact O-N 3.44Å; E361-N363 VanDerWaalsContact C-N 3.33Å; E361-N363 PolarHBondContact O-N 2.98Å; N363-L367 WeakPolarHBondContact O-CB 3.41Å; N363-L367 WeakPolarHBondContact O-CD1 3.2Å; N363-L367 WeakPolarHBondContact O-CG 3.46Å; N363-L367 PolarHBondContact O-N 2.99Å |
| 364 | V | 61.2 | Low | 57.4 | Low | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.8 | -45.9 | -174 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | I358 G360 E361 D362 L367 L368 I394 Y398 | I358-V364 HydrophobicContact CG2-CG2 3.39Å; G360-V364 WeakPolarHBondContact O-CG2 3.44Å; E361-V364 WeakPolarHBondContact O-CB 3.46Å; E361-V364 PolarHBondContact O-N 2.91Å; E361-V364 VanDerWaalsContact O-N 3.1Å; D362-V364 VanDerWaalsContact C-N 3.28Å; D362-V364 PolarHBondContact O-N 3.33Å; V364-L367 PolarHBondContact O-N 3.24Å; V364-L368 WeakPolarHBondContact O-CB 3.35Å; V364-L368 PolarHBondContact O-N 3.3Å; V364-I394 HydrophobicContact CG1-CB 4.11Å; V364-I394 HydrophobicContact CG1-CD1 3.74Å; V364-I394 HydrophobicContact CG1-CG1 3.69Å; V364-I394 HydrophobicContact CG1-CG2 3.33Å; V364-Y398 HydrophobicContact CG1-CE2 4.17Å |
| 365 | E | 61.8 | Low | 57.7 | Low | 117 Ų | 117 | 71.4 Ų | 71.4 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | -178.7 | -164.3 | 167.9 | -160.5 | 0 | 0 | 111.1 | E361 L368 Q369 | E361-E365 PolarHBondContact O-N 3.31Å; E365-L368 PolarHBondContact O-N 3.19Å; E365-Q369 VanDerWaalsContact O-CB 3.23Å; E365-Q369 WeakPolarHBondContact O-CB 3.43Å; E365-Q369 PolarHBondContact O-N 2.9Å |
| 366 | H | 60.1 | Low | 58.2 | Low | 134 Ų | 134 | 69.2 Ų | 69.2 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 173.9 | -73 | -47.9 | 0 | 0 | 0 | 112.8 | D362 L368 A370 | D362-H366 PolarHBondContact O-CD2 3.46Å; D362-H366 PolarHBondContact O-N 3.34Å; H366-L368 VanDerWaalsContact C-N 3.34Å; H366-L368 PolarHBondContact O-N 3.19Å; H366-A370 VanDerWaalsContact O-CB 3.25Å; H366-A370 WeakPolarHBondContact O-CB 3.47Å; H366-A370 PolarHBondContact O-N 3.46Å |
| 367 | L | 60.5 | Low | 58.4 | Low | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 178.2 | -76.8 | 169.9 | 0 | 0 | 0 | 112.1 | L348 L351 N363 V364 C371 | L348-L367 HydrophobicContact CD2-CD2 4.02Å; L351-L367 HydrophobicContact CB-CD2 3.72Å; L351-L367 HydrophobicContact CD1-CD2 3.77Å; L351-L367 HydrophobicContact CG-CD2 4.4Å; N363-L367 WeakPolarHBondContact O-CB 3.41Å; N363-L367 WeakPolarHBondContact O-CD1 3.2Å; N363-L367 WeakPolarHBondContact O-CG 3.46Å; N363-L367 PolarHBondContact O-N 2.99Å; V364-L367 PolarHBondContact O-N 3.24Å; L367-C371 PolarHBondContact O-N 2.9Å; L367-C371 PolarHBondContact O-SG 3.04Å |
| 368 | L | 62.9 | Low | 58.5 | Low | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -75 | -40.4 | -179.9 | -165.4 | 83.3 | 0 | 0 | 0 | 112 | V364 E365 H366 A370 C371 R372 I394 Y410 E413 | V364-L368 WeakPolarHBondContact O-CB 3.35Å; V364-L368 PolarHBondContact O-N 3.3Å; E365-L368 PolarHBondContact O-N 3.19Å; H366-L368 VanDerWaalsContact C-N 3.34Å; H366-L368 PolarHBondContact O-N 3.19Å; L368-A370 VanDerWaalsContact C-N 3.25Å; L368-A370 PolarHBondContact O-N 3.18Å; L368-C371 CarbonylContact O-C 3.59Å; L368-C371 WeakPolarHBondContact O-CA 3.2Å; L368-C371 WeakPolarHBondContact O-CB 3.48Å; L368-C371 PolarHBondContact O-N 2.79Å; L368-R372 WeakPolarHBondContact O-CG 3.47Å; L368-R372 PolarHBondContact O-N 3.17Å; L368-I394 HydrophobicContact CB-CD1 4.24Å; L368-I394 HydrophobicContact CD1-CD1 3.8Å; L368-Y410 HydrophobicContact CD2-CD1 3.36Å; L368-Y410 HydrophobicContact CD2-CE1 3.18Å; L368-E413 VanDerWaalsContact CD2-OE2 3.3Å; L368-E413 WeakPolarHBondContact CD2-OE2 3.31Å |
| 369 | Q | 63.2 | Low | 58.7 | Low | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 175.3 | -174.8 | 156.8 | 15.8 | 0 | 0 | 110.5 | E365 C371 R372 Y373 | E365-Q369 VanDerWaalsContact O-CB 3.23Å; E365-Q369 WeakPolarHBondContact O-CB 3.43Å; E365-Q369 PolarHBondContact O-N 2.9Å; Q369-C371 VanDerWaalsContact C-N 3.33Å; Q369-C371 PolarHBondContact O-N 2.92Å; Q369-R372 WeakPolarHBondContact O-CB 3.21Å; Q369-R372 PolarHBondContact O-N 2.96Å; Q369-Y373 HydrophobicContact CG-CD2 3.94Å; Q369-Y373 HydrophobicContact CG-CE2 3.64Å; Q369-Y373 WeakPolarHBondContact O-CD2 3.49Å; Q369-Y373 PolarHBondContact O-N 2.9Å |
| 370 | A | 57.1 | Low | 59.4 | Low | 24 Ų | 24 | 67.3 Ų | 67.3 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -34.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L348 H366 L368 Y373 A374 | L348-A370 HydrophobicContact CD1-CB 3.39Å; L348-A370 HydrophobicContact CD2-CB 3.45Å; L348-A370 VanDerWaalsContact CD2-CB 3.45Å; L348-A370 HydrophobicContact CG-CB 4.04Å; H366-A370 VanDerWaalsContact O-CB 3.25Å; H366-A370 WeakPolarHBondContact O-CB 3.47Å; H366-A370 PolarHBondContact O-N 3.46Å; L368-A370 VanDerWaalsContact C-N 3.25Å; L368-A370 PolarHBondContact O-N 3.18Å; A370-Y373 PolarHBondContact O-N 3.36Å; A370-A374 WeakPolarHBondContact O-CB 3.04Å; A370-A374 PolarHBondContact O-N 3.17Å |
| 371 | C | 61.9 | Low | 60 | Low | 6 Ų | 6 | 70.1 Ų | 70.1 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | 170.5 | -72.4 | 0 | 0 | 0 | 0 | 113.5 | L367 L368 Q369 Y373 A374 Y375 L390 | L367-C371 PolarHBondContact O-N 2.9Å; L367-C371 PolarHBondContact O-SG 3.04Å; L368-C371 CarbonylContact O-C 3.59Å; L368-C371 WeakPolarHBondContact O-CA 3.2Å; L368-C371 WeakPolarHBondContact O-CB 3.48Å; L368-C371 PolarHBondContact O-N 2.79Å; Q369-C371 VanDerWaalsContact C-N 3.33Å; Q369-C371 PolarHBondContact O-N 2.92Å; C371-Y373 VanDerWaalsContact C-N 3.34Å; C371-A374 WeakPolarHBondContact O-CB 3.49Å; C371-A374 PolarHBondContact O-N 3.32Å; C371-Y375 WeakPolarHBondContact O-CB 3.38Å; C371-Y375 PolarHBondContact O-N 2.99Å; C371-L390 HydrophobicContact CB-CD2 4.49Å; C371-L390 WeakPolarHBondContact SG-CD2 3.13Å |
| 372 | R | 63.5 | Low | 60.8 | Low | 102 Ų | 102 | 70.7 Ų | 70.7 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.1 | -71 | 177.1 | -175 | 164.8 | 8.1 | 110.6 | L368 Q369 Y375 A376 E413 Y417 | L368-R372 WeakPolarHBondContact O-CG 3.47Å; L368-R372 PolarHBondContact O-N 3.17Å; Q369-R372 WeakPolarHBondContact O-CB 3.21Å; Q369-R372 PolarHBondContact O-N 2.96Å; R372-Y375 PolarHBondContact O-N 3.16Å; R372-A376 PolarHBondContact O-N 3.05Å; R372-A376 VanDerWaalsContact O-N 3.16Å; R372-E413 IonicContact CZ-OE1 3.45Å; R372-E413 VanDerWaalsContact CZ-OE1 3.28Å; R372-E413 IonicContact CZ-OE2 3.99Å; R372-E413 VanDerWaalsContact CZ-OE2 3.32Å; R372-E413 IonicContact NE-OE1 3.32Å; R372-E413 IonicContact NE-OE2 3.46Å; R372-E413 PolarHBondContact NE-OE2 3.29Å; R372-E413 IonicContact NH2-OE1 2.82Å; R372-E413 PolarHBondContact NH2-OE1 3.23Å; R372-E413 IonicContact NH2-OE2 3Å; R372-E413 PolarHBondContact NH2-OE2 3.08Å; R372-Y417 WeakPolarHBondContact CG-OH 3.49Å |
| 373 | Y | 58.6 | Low | 61.2 | Low | 147 Ų | 147 | 66.1 Ų | 66.1 | 58% | 0.576 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 173 | -77.9 | -65.5 | 0 | 0 | 0 | 112.2 | Q369 A370 C371 Y375 A376 L377 | Q369-Y373 HydrophobicContact CG-CD2 3.94Å; Q369-Y373 HydrophobicContact CG-CE2 3.64Å; Q369-Y373 WeakPolarHBondContact O-CD2 3.49Å; Q369-Y373 PolarHBondContact O-N 2.9Å; A370-Y373 PolarHBondContact O-N 3.36Å; C371-Y373 VanDerWaalsContact C-N 3.34Å; Y373-Y375 PolarHBondContact O-N 3.3Å; Y373-A376 WeakPolarHBondContact O-CB 3.44Å; Y373-A376 PolarHBondContact O-N 3.49Å; Y373-L377 PolarHBondContact O-N 2.97Å |
| 374 | A | 54.1 | Low | 61.7 | Low | 18 Ų | 18 | 69.2 Ų | 69.2 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L345 A370 C371 A376 L377 F378 | L345-A374 HydrophobicContact CD1-CB 3.29Å; A370-A374 WeakPolarHBondContact O-CB 3.04Å; A370-A374 PolarHBondContact O-N 3.17Å; C371-A374 WeakPolarHBondContact O-CB 3.49Å; C371-A374 PolarHBondContact O-N 3.32Å; A374-A376 VanDerWaalsContact C-N 3.26Å; A374-A376 PolarHBondContact O-N 3.17Å; A374-L377 PolarHBondContact O-N 3.35Å; A374-L377 VanDerWaalsContact O-N 3.11Å; A374-F378 PolarHBondContact O-N 3.13Å |
| 375 | Y | 58.7 | Low | 62.3 | Low | 83 Ų | 83 | 71 Ų | 71 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 176.5 | -178.9 | -102.4 | 0 | 0 | 0 | 112.3 | C371 R372 Y373 L377 R384 Y417 | C371-Y375 WeakPolarHBondContact O-CB 3.38Å; C371-Y375 PolarHBondContact O-N 2.99Å; R372-Y375 PolarHBondContact O-N 3.16Å; Y373-Y375 PolarHBondContact O-N 3.3Å; Y375-L377 VanDerWaalsContact C-N 3.28Å; Y375-L377 PolarHBondContact O-N 3.25Å; Y375-R384 HydrophobicContact CD2-CG 4.29Å; Y375-R384 HydrophobicContact CE2-CG 3.91Å; Y375-Y417 HydrophobicContact CD1-CD1 4.18Å; Y375-Y417 AromaticContact CD1-CE1 3.79Å; Y375-Y417 HydrophobicContact CD1-CE1 3.79Å; Y375-Y417 AromaticContact CD2-CD1 3.34Å; Y375-Y417 HydrophobicContact CD2-CD1 3.34Å; Y375-Y417 AromaticContact CD2-CE1 3.61Å; Y375-Y417 HydrophobicContact CD2-CE1 3.61Å; Y375-Y417 HydrophobicContact CE1-CD1 4.35Å; Y375-Y417 HydrophobicContact CE1-CE1 4.3Å; Y375-Y417 AromaticContact CE2-CD1 3.55Å; Y375-Y417 HydrophobicContact CE2-CD1 3.55Å; Y375-Y417 HydrophobicContact CE2-CE1 4.14Å; Y375-Y417 AromaticContact CG-CD1 3.68Å; Y375-Y417 HydrophobicContact CG-CD1 3.68Å; Y375-Y417 AromaticContact CG-CE1 3.4Å; Y375-Y417 HydrophobicContact CG-CE1 3.4Å; Y375-Y417 VanDerWaalsContact CG-CE1 3.4Å |
| 376 | A | 60.4 | Low | 62.7 | Low | 79 Ų | 79 | 66.9 Ų | 66.9 | 65% | 0.653 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.4 | -24.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R372 Y373 A374 | R372-A376 PolarHBondContact O-N 3.05Å; R372-A376 VanDerWaalsContact O-N 3.16Å; Y373-A376 WeakPolarHBondContact O-CB 3.44Å; Y373-A376 PolarHBondContact O-N 3.49Å; A374-A376 VanDerWaalsContact C-N 3.26Å; A374-A376 PolarHBondContact O-N 3.17Å |
| 377 | L | 57.9 | Low | 63.3 | Low | 82 Ų | 82 | 60.8 Ų | 60.8 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -104.4 | -28.5 | -170.8 | -72.8 | 164.4 | 0 | 0 | 0 | 114.7 | Y373 A374 Y375 | Y373-L377 PolarHBondContact O-N 2.97Å; A374-L377 PolarHBondContact O-N 3.35Å; A374-L377 VanDerWaalsContact O-N 3.11Å; Y375-L377 VanDerWaalsContact C-N 3.28Å; Y375-L377 PolarHBondContact O-N 3.25Å |
| 378 | F | 54.3 | Low | 64.2 | Low | 88 Ų | 88 | 60 Ų | 60 | 39% | 0.386 | 32% | 0.321 | S | S | . | . | trans | -145 | 112.7 | -175.9 | -68 | -80.3 | 0 | 0 | 0 | 113.6 | L345 A374 T380 | L345-F378 HydrophobicContact CD2-CD2 4.5Å; A374-F378 PolarHBondContact O-N 3.13Å; F378-T380 PolarHBondContact O-N 2.87Å | ||
| 379 | V | 57.2 | Low | 65 | Low | 99 Ų | 99 | 66.1 Ų | 66.1 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | trans | -94.2 | 71 | -171.3 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 380 | T | 67 | Low | 65.5 | Low | 56 Ų | 56 | 62.7 Ų | 62.7 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | trans | -104.2 | 143.6 | 167.6 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | F378 T382 E383 R384 | F378-T380 PolarHBondContact O-N 2.87Å; T380-T382 PolarHBondContact O-N 3.24Å; T380-T382 PolarHBondContact OG1-OG1 3.38Å; T380-T382 VanDerWaalsContact OG1-OG1 3.04Å; T380-E383 PolarHBondContact O-N 2.87Å; T380-E383 VanDerWaalsContact O-N 3.11Å; T380-E383 VanDerWaalsContact OG1-CB 3.3Å; T380-E383 WeakPolarHBondContact OG1-CB 3.39Å; T380-E383 WeakPolarHBondContact OG1-CG 3.13Å; T380-E383 PolarHBondContact OG1-N 2.88Å; T380-E383 PolarHBondContact OG1-OE2 3.32Å; T380-R384 WeakPolarHBondContact O-CG 3.47Å; T380-R384 PolarHBondContact O-N 2.89Å; T380-R384 VanDerWaalsContact O-N 3.08Å | ||
| 381 | S | 69.5 | Low | 66.6 | Low | 94 Ų | 94 | 61.5 Ų | 61.5 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.2 | -33.5 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | A385 | S381-A385 WeakPolarHBondContact O-CB 3.27Å; S381-A385 PolarHBondContact O-N 2.78Å |
| 382 | T | 69.7 | Low | 67.6 | Low | 98 Ų | 98 | 62.7 Ų | 62.7 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.9 | -38.5 | 176 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | T380 F386 | T380-T382 PolarHBondContact O-N 3.24Å; T380-T382 PolarHBondContact OG1-OG1 3.38Å; T380-T382 VanDerWaalsContact OG1-OG1 3.04Å; T382-F386 PolarHBondContact O-N 3.11Å; T382-F386 VanDerWaalsContact O-N 3.15Å |
| 383 | E | 65 | Low | 68.3 | Low | 26 Ų | 26 | 59.1 Ų | 59.1 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.8 | -38.5 | 178.2 | -76 | 160.5 | 168 | 0 | 0 | 111.1 | K349 T380 A385 F386 C387 | K349-E383 IonicContact NZ-OE1 3.05Å; K349-E383 PolarHBondContact NZ-OE1 3.06Å; T380-E383 PolarHBondContact O-N 2.87Å; T380-E383 VanDerWaalsContact O-N 3.11Å; T380-E383 VanDerWaalsContact OG1-CB 3.3Å; T380-E383 WeakPolarHBondContact OG1-CB 3.39Å; T380-E383 WeakPolarHBondContact OG1-CG 3.13Å; T380-E383 PolarHBondContact OG1-N 2.88Å; T380-E383 PolarHBondContact OG1-OE2 3.32Å; E383-A385 PolarHBondContact O-N 3.06Å; E383-F386 WeakPolarHBondContact O-CB 3.35Å; E383-F386 PolarHBondContact O-N 3.41Å; E383-F386 VanDerWaalsContact O-N 3.14Å; E383-C387 PolarHBondContact O-N 3.5Å; E383-C387 PolarHBondContact O-SG 3.5Å; E383-C387 VanDerWaalsContact O-SG 3.33Å |
| 384 | R | 70.4 | Confident | 69.2 | Low | 96 Ų | 96 | 52.2 Ų | 52.2 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 172.4 | -68.3 | -174 | -180 | 157.7 | -9.4 | 112.6 | Y375 T380 F386 C387 S388 | Y375-R384 HydrophobicContact CD2-CG 4.29Å; Y375-R384 HydrophobicContact CE2-CG 3.91Å; T380-R384 WeakPolarHBondContact O-CG 3.47Å; T380-R384 PolarHBondContact O-N 2.89Å; T380-R384 VanDerWaalsContact O-N 3.08Å; R384-F386 PolarHBondContact O-N 3.45Å; R384-C387 PolarHBondContact O-N 3.37Å; R384-S388 WeakPolarHBondContact O-CB 3.37Å; R384-S388 PolarHBondContact O-N 2.76Å |
| 385 | A | 74.3 | Confident | 70.6 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -28 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S381 E383 R389 | S381-A385 WeakPolarHBondContact O-CB 3.27Å; S381-A385 PolarHBondContact O-N 2.78Å; E383-A385 PolarHBondContact O-N 3.06Å; A385-R389 WeakPolarHBondContact O-CG 3.41Å; A385-R389 PolarHBondContact O-N 3.25Å; A385-R389 PolarHBondContact O-NE 3.43Å |
| 386 | F | 70 | Confident | 71.8 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.6 | -48.4 | 174 | -177.5 | -103.8 | 0 | 0 | 0 | 111.9 | K349 A352 T382 E383 R384 S388 R389 L390 | K349-F386 HydrophobicContact CG-CE1 4.37Å; A352-F386 HydrophobicContact CB-CE1 3.63Å; A352-F386 HydrophobicContact CB-CE2 4.09Å; A352-F386 HydrophobicContact CB-CZ 3.18Å; T382-F386 PolarHBondContact O-N 3.11Å; T382-F386 VanDerWaalsContact O-N 3.15Å; E383-F386 WeakPolarHBondContact O-CB 3.35Å; E383-F386 PolarHBondContact O-N 3.41Å; E383-F386 VanDerWaalsContact O-N 3.14Å; R384-F386 PolarHBondContact O-N 3.45Å; F386-S388 VanDerWaalsContact C-N 3.29Å; F386-S388 PolarHBondContact O-N 3.44Å; F386-R389 PolarHBondContact O-N 3.4Å; F386-L390 PolarHBondContact O-N 3.1Å |
| 387 | C | 72 | Confident | 72.7 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 175.4 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | E383 R384 R389 L390 S391 Y417 | E383-C387 PolarHBondContact O-N 3.5Å; E383-C387 PolarHBondContact O-SG 3.5Å; E383-C387 VanDerWaalsContact O-SG 3.33Å; R384-C387 PolarHBondContact O-N 3.37Å; C387-R389 PolarHBondContact O-N 3.21Å; C387-L390 PolarHBondContact O-N 2.94Å; C387-S391 WeakPolarHBondContact O-CB 3.29Å; C387-S391 PolarHBondContact O-N 3.46Å; C387-S391 PolarHBondContact O-OG 3.42Å; C387-Y417 HydrophobicContact CB-CD1 4.16Å; C387-Y417 HydrophobicContact CB-CD2 3.54Å; C387-Y417 HydrophobicContact CB-CE1 4.36Å; C387-Y417 HydrophobicContact CB-CE2 3.78Å; C387-Y417 HydrophobicContact CB-CG 3.75Å |
| 388 | S | 81.1 | Confident | 73.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | R384 F386 S391 Q392 G414 N421 L424 | R384-S388 WeakPolarHBondContact O-CB 3.37Å; R384-S388 PolarHBondContact O-N 2.76Å; F386-S388 VanDerWaalsContact C-N 3.29Å; F386-S388 PolarHBondContact O-N 3.44Å; S388-S391 PolarHBondContact O-N 3.03Å; S388-Q392 WeakPolarHBondContact O-CB 3.41Å; S388-Q392 PolarHBondContact O-N 2.99Å; S388-G414 PolarHBondContact OG-O 2.94Å; S388-N421 PolarHBondContact OG-ND2 3.14Å; S388-N421 VanDerWaalsContact OG-ND2 3.08Å; S388-L424 WeakPolarHBondContact OG-CD1 3.42Å |
| 389 | R | 78 | Confident | 74.8 | Confident | 130 Ų | 130 | 43.4 Ų | 43.4 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 176 | -78 | -175.8 | -70.5 | 156.6 | -5.5 | 113 | A385 F386 C387 Q392 S393 | A385-R389 WeakPolarHBondContact O-CG 3.41Å; A385-R389 PolarHBondContact O-N 3.25Å; A385-R389 PolarHBondContact O-NE 3.43Å; F386-R389 PolarHBondContact O-N 3.4Å; C387-R389 PolarHBondContact O-N 3.21Å; R389-Q392 WeakPolarHBondContact O-CB 3.44Å; R389-Q392 PolarHBondContact O-N 3.06Å; R389-S393 PolarHBondContact O-N 3.35Å; R389-S393 PolarHBondContact O-OG 2.94Å |
| 390 | L | 73.8 | Confident | 75.5 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 177 | -178.4 | 63.2 | 0 | 0 | 0 | 111.1 | A352 C371 F386 C387 Q392 S393 I394 | A352-L390 HydrophobicContact CB-CD1 3.75Å; A352-L390 HydrophobicContact CB-CD2 3.95Å; A352-L390 HydrophobicContact CB-CG 4.33Å; C371-L390 HydrophobicContact CB-CD2 4.49Å; C371-L390 WeakPolarHBondContact SG-CD2 3.13Å; F386-L390 PolarHBondContact O-N 3.1Å; C387-L390 PolarHBondContact O-N 2.94Å; L390-Q392 PolarHBondContact O-N 3.16Å; L390-S393 PolarHBondContact O-N 3.42Å; L390-S393 VanDerWaalsContact O-N 3.13Å; L390-I394 HydrophobicContact CD1-CD1 4.19Å; L390-I394 HydrophobicContact CD1-CG1 4.43Å; L390-I394 HydrophobicContact CD2-CD1 4.49Å; L390-I394 HydrophobicContact CG-CD1 3.86Å; L390-I394 VanDerWaalsContact O-CG1 3.28Å; L390-I394 WeakPolarHBondContact O-CG1 3.5Å; L390-I394 PolarHBondContact O-N 3.45Å |
| 391 | S | 80.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.7 | -38.1 | 173.5 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | C387 S388 G395 Y410 | C387-S391 WeakPolarHBondContact O-CB 3.29Å; C387-S391 PolarHBondContact O-N 3.46Å; C387-S391 PolarHBondContact O-OG 3.42Å; S388-S391 PolarHBondContact O-N 3.03Å; S391-G395 PolarHBondContact O-N 3.12Å; S391-Y410 WeakPolarHBondContact CB-O 3.19Å |
| 392 | Q | 83.9 | Confident | 75.8 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 173.1 | -172.2 | 178.4 | 3.7 | 0 | 0 | 111.9 | S388 R389 L390 I394 G395 N396 L424 | S388-Q392 WeakPolarHBondContact O-CB 3.41Å; S388-Q392 PolarHBondContact O-N 2.99Å; R389-Q392 WeakPolarHBondContact O-CB 3.44Å; R389-Q392 PolarHBondContact O-N 3.06Å; L390-Q392 PolarHBondContact O-N 3.16Å; Q392-I394 VanDerWaalsContact C-N 3.3Å; Q392-I394 PolarHBondContact O-N 3Å; Q392-G395 PolarHBondContact O-N 3.32Å; Q392-N396 WeakPolarHBondContact O-CB 3.08Å; Q392-N396 PolarHBondContact O-N 3.33Å; Q392-N396 PolarHBondContact O-OD1 2.86Å; Q392-L424 HydrophobicContact CB-CD2 3.63Å; Q392-L424 HydrophobicContact CB-CG 4.28Å; Q392-L424 HydrophobicContact CG-CD2 3.87Å; Q392-L424 HydrophobicContact CG-CG 4.48Å |
| 393 | S | 77.8 | Confident | 76.2 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 179.7 | -60 | 0 | 0 | 0 | 0 | 112.6 | R389 L390 F397 | R389-S393 PolarHBondContact O-N 3.35Å; R389-S393 PolarHBondContact O-OG 2.94Å; L390-S393 PolarHBondContact O-N 3.42Å; L390-S393 VanDerWaalsContact O-N 3.13Å; S393-F397 WeakPolarHBondContact O-CB 3.41Å; S393-F397 PolarHBondContact O-N 3.21Å |
| 394 | I | 77.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.7 | -45.1 | 174.8 | -66.7 | 167.6 | 0 | 0 | 0 | 110.9 | V364 L368 L390 Q392 N396 F397 Y398 Y410 | V364-I394 HydrophobicContact CG1-CB 4.11Å; V364-I394 HydrophobicContact CG1-CD1 3.74Å; V364-I394 HydrophobicContact CG1-CG1 3.69Å; V364-I394 HydrophobicContact CG1-CG2 3.33Å; L368-I394 HydrophobicContact CB-CD1 4.24Å; L368-I394 HydrophobicContact CD1-CD1 3.8Å; L390-I394 HydrophobicContact CD1-CD1 4.19Å; L390-I394 HydrophobicContact CD1-CG1 4.43Å; L390-I394 HydrophobicContact CD2-CD1 4.49Å; L390-I394 HydrophobicContact CG-CD1 3.86Å; L390-I394 VanDerWaalsContact O-CG1 3.28Å; L390-I394 WeakPolarHBondContact O-CG1 3.5Å; L390-I394 PolarHBondContact O-N 3.45Å; Q392-I394 VanDerWaalsContact C-N 3.3Å; Q392-I394 PolarHBondContact O-N 3Å; I394-N396 VanDerWaalsContact C-N 3.33Å; I394-N396 PolarHBondContact O-N 3.11Å; I394-F397 WeakPolarHBondContact O-CB 3.5Å; I394-F397 PolarHBondContact O-N 3.04Å; I394-F397 VanDerWaalsContact O-N 3.17Å; I394-Y398 HydrophobicContact CG2-CD2 3.82Å; I394-Y398 HydrophobicContact CG2-CE2 3.79Å; I394-Y398 WeakPolarHBondContact O-CD2 3.33Å; I394-Y398 PolarHBondContact O-N 3.06Å; I394-Y410 HydrophobicContact CG2-CD1 4.03Å; I394-Y410 HydrophobicContact CG2-CD2 3.59Å; I394-Y410 HydrophobicContact CG2-CE1 4.32Å; I394-Y410 HydrophobicContact CG2-CE2 3.9Å; I394-Y410 HydrophobicContact CG2-CG 3.63Å |
| 395 | G | 83.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S391 Q392 F397 Y398 E399 Y411 | S391-G395 PolarHBondContact O-N 3.12Å; Q392-G395 PolarHBondContact O-N 3.32Å; G395-F397 VanDerWaalsContact C-N 3.26Å; G395-F397 PolarHBondContact O-N 2.8Å; G395-Y398 PolarHBondContact O-N 3.4Å; G395-E399 WeakPolarHBondContact O-CB 3.25Å; G395-E399 PolarHBondContact O-N 3.12Å; G395-Y411 VanDerWaalsContact C-CZ 3.41Å; G395-Y411 VanDerWaalsContact CA-CE1 3.4Å; G395-Y411 PolarHBondContact O-OH 2.91Å |
| 396 | N | 83.4 | Confident | 78.3 | Confident | 71 Ų | 71 | 42 Ų | 42 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -36.1 | 175.5 | -68.7 | -6.4 | 0 | 0 | 0 | 111.8 | Q392 I394 G400 Y411 N427 | Q392-N396 WeakPolarHBondContact O-CB 3.08Å; Q392-N396 PolarHBondContact O-N 3.33Å; Q392-N396 PolarHBondContact O-OD1 2.86Å; I394-N396 VanDerWaalsContact C-N 3.33Å; I394-N396 PolarHBondContact O-N 3.11Å; N396-G400 PolarHBondContact O-N 3.08Å; N396-Y411 WeakPolarHBondContact CA-OH 3.32Å; N396-Y411 PolarHBondContact N-OH 3.36Å; N396-Y411 VanDerWaalsContact N-OH 3.07Å; N396-Y411 PolarHBondContact OD1-OH 3.1Å; N396-N427 PolarHBondContact OD1-ND2 3.41Å |
| 397 | F | 78.3 | Confident | 79.1 | Confident | 52 Ų | 52 | 40.5 Ų | 40.5 | 23% | 0.228 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 176.4 | 173.5 | -103.7 | 0 | 0 | 0 | 112 | I358 S393 I394 G395 G400 Q401 | I358-F397 HydrophobicContact CG2-CB 4.12Å; I358-F397 HydrophobicContact CG2-CD1 4.01Å; I358-F397 HydrophobicContact CG2-CD2 4.11Å; I358-F397 HydrophobicContact CG2-CE1 4.38Å; I358-F397 HydrophobicContact CG2-CG 3.83Å; I358-F397 WeakPolarHBondContact O-CE2 3.37Å; I358-F397 WeakPolarHBondContact O-CZ 3.12Å; S393-F397 WeakPolarHBondContact O-CB 3.41Å; S393-F397 PolarHBondContact O-N 3.21Å; I394-F397 WeakPolarHBondContact O-CB 3.5Å; I394-F397 PolarHBondContact O-N 3.04Å; I394-F397 VanDerWaalsContact O-N 3.17Å; G395-F397 VanDerWaalsContact C-N 3.26Å; G395-F397 PolarHBondContact O-N 2.8Å; F397-G400 PolarHBondContact O-N 3.42Å; F397-Q401 PolarHBondContact O-N 3.22Å; F397-Q401 VanDerWaalsContact O-N 3.13Å |
| 398 | Y | 76.6 | Confident | 80 | Confident | 6 Ų | 6 | 41 Ų | 41 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -34.1 | 175.5 | -78.9 | -68.3 | 0 | 0 | 0 | 112.9 | E361 V364 I394 G395 Q401 H402 V403 K406 Y410 | E361-Y398 WeakPolarHBondContact OE1-CE1 3.49Å; V364-Y398 HydrophobicContact CG1-CE2 4.17Å; I394-Y398 HydrophobicContact CG2-CD2 3.82Å; I394-Y398 HydrophobicContact CG2-CE2 3.79Å; I394-Y398 WeakPolarHBondContact O-CD2 3.33Å; I394-Y398 PolarHBondContact O-N 3.06Å; G395-Y398 PolarHBondContact O-N 3.4Å; Y398-Q401 CarbonylContact O-C 3.59Å; Y398-Q401 PolarHBondContact O-N 3.34Å; Y398-H402 PolarHBondContact O-N 2.92Å; Y398-V403 HydrophobicContact CD1-CB 4.23Å; Y398-V403 PolarHBondContact O-N 3.34Å; Y398-K406 HydrophobicContact CD1-CB 3.87Å; Y398-K406 HydrophobicContact CD1-CD 3.74Å; Y398-K406 HydrophobicContact CD1-CG 4.45Å; Y398-K406 HydrophobicContact CD2-CB 4.28Å; Y398-K406 HydrophobicContact CE1-CB 4.27Å; Y398-K406 HydrophobicContact CE1-CD 3.38Å; Y398-K406 HydrophobicContact CE1-CG 4.46Å; Y398-K406 HydrophobicContact CG-CB 3.87Å; Y398-Y410 AromaticContact CD2-CD2 3.5Å; Y398-Y410 HydrophobicContact CD2-CD2 3.5Å; Y398-Y410 AromaticContact CD2-CE2 3.37Å; Y398-Y410 HydrophobicContact CD2-CE2 3.37Å; Y398-Y410 AromaticContact CE2-CD2 3.75Å; Y398-Y410 HydrophobicContact CE2-CD2 3.75Å; Y398-Y410 AromaticContact CE2-CE2 3.12Å; Y398-Y410 HydrophobicContact CE2-CE2 3.12Å; Y398-Y410 AromaticContact CE2-CZ 3.92Å; Y398-Y410 HydrophobicContact CG-CD2 4.48Å; Y398-Y410 HydrophobicContact CG-CE2 4.38Å; Y398-Y410 AromaticContact CZ-CE2 3.98Å |
| 399 | E | 80.5 | Confident | 80.3 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 171.2 | -177 | 173.1 | -176.6 | 0 | 0 | 110.9 | G395 Q401 H402 A407 Y411 H430 I431 | G395-E399 WeakPolarHBondContact O-CB 3.25Å; G395-E399 PolarHBondContact O-N 3.12Å; E399-Q401 PolarHBondContact O-N 3.23Å; E399-H402 WeakPolarHBondContact O-CA 3.43Å; E399-H402 PolarHBondContact O-N 3.19Å; E399-A407 HydrophobicContact CB-CB 4.25Å; E399-Y411 PolarHBondContact OE2-OH 3.39Å; E399-H430 IonicContact OE1-CE1 3.93Å; E399-H430 PolarHBondContact OE1-CE1 2.72Å; E399-H430 IonicContact OE1-ND1 2.89Å; E399-H430 PolarHBondContact OE1-ND1 3.02Å; E399-I431 HydrophobicContact CB-CD1 4.36Å; E399-I431 HydrophobicContact CG-CD1 3.99Å |
| 400 | G | 72.3 | Confident | 80.7 | Confident | 58 Ų | 58 | 39.1 Ų | 39.1 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.5 | -21.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N396 F397 H402 | N396-G400 PolarHBondContact O-N 3.08Å; F397-G400 PolarHBondContact O-N 3.42Å; G400-H402 VanDerWaalsContact C-N 3.35Å |
| 401 | Q | 70.8 | Confident | 81.5 | Confident | 86 Ų | 86 | 38.5 Ų | 38.5 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.4 | 170 | -68.6 | -169.4 | 45.7 | 0 | 0 | 113.4 | F397 Y398 E399 V403 | F397-Q401 PolarHBondContact O-N 3.22Å; F397-Q401 VanDerWaalsContact O-N 3.13Å; Y398-Q401 CarbonylContact O-C 3.59Å; Y398-Q401 PolarHBondContact O-N 3.34Å; E399-Q401 PolarHBondContact O-N 3.23Å; Q401-V403 HydrophobicContact CB-CG2 4.14Å; Q401-V403 PolarHBondContact O-N 2.85Å |
| 402 | H | 71.1 | Confident | 82 | Confident | 85 Ų | 85 | 40.9 Ų | 40.9 | 39% | 0.394 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 20.5 | -174.1 | -56.2 | -70.7 | 0 | 0 | 0 | 114.8 | Y398 E399 G400 Y404 | Y398-H402 PolarHBondContact O-N 2.92Å; E399-H402 WeakPolarHBondContact O-CA 3.43Å; E399-H402 PolarHBondContact O-N 3.19Å; G400-H402 VanDerWaalsContact C-N 3.35Å; H402-Y404 VanDerWaalsContact C-N 3.35Å; H402-Y404 HydrophobicContact CB-CE2 4.38Å; H402-Y404 AromaticContact ND1-CZ 3.75Å; H402-Y404 PolarHBondContact ND1-OH 3.08Å; H402-Y404 PolarHBondContact O-N 2.99Å |
| 403 | V | 79.1 | Confident | 82 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | trans | -92.1 | 72.5 | 174.4 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | Y398 Q401 S405 K406 A407 | Y398-V403 HydrophobicContact CD1-CB 4.23Å; Y398-V403 PolarHBondContact O-N 3.34Å; Q401-V403 HydrophobicContact CB-CG2 4.14Å; Q401-V403 PolarHBondContact O-N 2.85Å; V403-S405 VanDerWaalsContact C-N 3.28Å; V403-S405 PolarHBondContact O-N 2.92Å; V403-K406 HydrophobicContact CG1-CB 3.93Å; V403-K406 HydrophobicContact CG1-CD 3.87Å; V403-K406 HydrophobicContact CG1-CG 3.78Å; V403-K406 PolarHBondContact O-N 2.63Å; V403-A407 PolarHBondContact O-N 3.28Å; V403-A407 VanDerWaalsContact O-N 3.1Å | ||
| 404 | Y | 84.2 | Confident | 82.4 | Confident | 52 Ų | 52 | 39 Ų | 39 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -31.2 | -172.1 | -56.1 | -54.4 | 0 | 0 | 0 | 113.9 | H402 A407 A408 I431 I434 T435 | H402-Y404 VanDerWaalsContact C-N 3.35Å; H402-Y404 HydrophobicContact CB-CE2 4.38Å; H402-Y404 AromaticContact ND1-CZ 3.75Å; H402-Y404 PolarHBondContact ND1-OH 3.08Å; H402-Y404 PolarHBondContact O-N 2.99Å; Y404-A407 PolarHBondContact O-N 3.43Å; Y404-A408 WeakPolarHBondContact O-CB 3.44Å; Y404-A408 PolarHBondContact O-N 3.48Å; Y404-I431 HydrophobicContact CD1-CD1 3.55Å; Y404-I431 HydrophobicContact CE1-CD1 4.39Å; Y404-I431 HydrophobicContact CG-CD1 4.32Å; Y404-I434 HydrophobicContact CD2-CG2 3.96Å; Y404-I434 HydrophobicContact CE1-CD1 4.17Å; Y404-I434 HydrophobicContact CE1-CG2 4.23Å; Y404-I434 HydrophobicContact CE2-CG2 3.57Å; Y404-I434 HydrophobicContact CG-CG2 4.44Å; Y404-T435 HydrophobicContact CD2-CG2 4.49Å; Y404-T435 HydrophobicContact CG-CG2 4.42Å |
| 405 | S | 85.1 | Confident | 82.8 | Confident | 86 Ų | 86 | 40.2 Ų | 40.2 | 60% | 0.601 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.9 | -49 | 177.3 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | V403 A408 V409 | V403-S405 VanDerWaalsContact C-N 3.28Å; V403-S405 PolarHBondContact O-N 2.92Å; S405-A408 PolarHBondContact O-N 2.87Å; S405-V409 WeakPolarHBondContact O-CG2 3.48Å; S405-V409 PolarHBondContact O-N 3.18Å |
| 406 | K | 84.6 | Confident | 82.9 | Confident | 76 Ų | 76 | 49 Ų | 49 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.2 | -70.5 | -174.3 | -178.1 | 176.5 | 0 | 110.9 | E361 Y398 V403 A408 V409 Y410 | E361-K406 IonicContact OE1-NZ 3.91Å; E361-K406 PolarHBondContact OE1-NZ 3.38Å; Y398-K406 HydrophobicContact CD1-CB 3.87Å; Y398-K406 HydrophobicContact CD1-CD 3.74Å; Y398-K406 HydrophobicContact CD1-CG 4.45Å; Y398-K406 HydrophobicContact CD2-CB 4.28Å; Y398-K406 HydrophobicContact CE1-CB 4.27Å; Y398-K406 HydrophobicContact CE1-CD 3.38Å; Y398-K406 HydrophobicContact CE1-CG 4.46Å; Y398-K406 HydrophobicContact CG-CB 3.87Å; V403-K406 HydrophobicContact CG1-CB 3.93Å; V403-K406 HydrophobicContact CG1-CD 3.87Å; V403-K406 HydrophobicContact CG1-CG 3.78Å; V403-K406 PolarHBondContact O-N 2.63Å; K406-A408 VanDerWaalsContact C-N 3.35Å; K406-A408 PolarHBondContact O-N 3.1Å; K406-V409 WeakPolarHBondContact O-CB 3.49Å; K406-V409 PolarHBondContact O-N 3Å; K406-Y410 HydrophobicContact CB-CD2 4.49Å; K406-Y410 HydrophobicContact CB-CE2 4.16Å; K406-Y410 WeakPolarHBondContact O-CD2 3.28Å; K406-Y410 PolarHBondContact O-N 3.07Å; K406-Y410 VanDerWaalsContact O-N 3.09Å |
| 407 | A | 86.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | E399 V403 Y404 V409 Y410 Y411 I431 | E399-A407 HydrophobicContact CB-CB 4.25Å; V403-A407 PolarHBondContact O-N 3.28Å; V403-A407 VanDerWaalsContact O-N 3.1Å; Y404-A407 PolarHBondContact O-N 3.43Å; A407-V409 PolarHBondContact O-N 2.95Å; A407-Y410 PolarHBondContact O-N 3.33Å; A407-Y411 HydrophobicContact CB-CE2 4.15Å; A407-Y411 VanDerWaalsContact O-CD2 3.26Å; A407-Y411 WeakPolarHBondContact O-CD2 3.43Å; A407-Y411 VanDerWaalsContact O-CG 3.3Å; A407-Y411 PolarHBondContact O-N 3.49Å; A407-I431 HydrophobicContact CB-CD1 3.99Å; A407-I431 HydrophobicContact CB-CG1 4.47Å |
| 408 | A | 89.7 | Confident | 83 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y404 S405 K406 Y410 Y411 T412 I431 | Y404-A408 WeakPolarHBondContact O-CB 3.44Å; Y404-A408 PolarHBondContact O-N 3.48Å; S405-A408 PolarHBondContact O-N 2.87Å; K406-A408 VanDerWaalsContact C-N 3.35Å; K406-A408 PolarHBondContact O-N 3.1Å; A408-Y410 PolarHBondContact O-N 3.48Å; A408-Y411 PolarHBondContact O-N 3.44Å; A408-T412 VanDerWaalsContact O-CG2 3.26Å; A408-T412 WeakPolarHBondContact O-CG2 3.42Å; A408-T412 PolarHBondContact O-N 3.34Å; A408-T412 PolarHBondContact O-OG1 3.37Å; A408-I431 HydrophobicContact CB-CG2 3.93Å |
| 409 | V | 89.3 | Confident | 83.4 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 42% | 0.424 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | S405 K406 A407 Y411 T412 E413 | S405-V409 WeakPolarHBondContact O-CG2 3.48Å; S405-V409 PolarHBondContact O-N 3.18Å; K406-V409 WeakPolarHBondContact O-CB 3.49Å; K406-V409 PolarHBondContact O-N 3Å; A407-V409 PolarHBondContact O-N 2.95Å; V409-Y411 PolarHBondContact O-N 2.81Å; V409-T412 PolarHBondContact O-N 3.05Å; V409-T412 PolarHBondContact O-OG1 3.23Å; V409-E413 WeakPolarHBondContact O-CG 3.49Å; V409-E413 PolarHBondContact O-N 3.45Å |
| 410 | Y | 85.9 | Confident | 83.6 | Confident | 20 Ų | 20 | 56 Ų | 56 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | -178.6 | -64.5 | -57.7 | 0 | 0 | 0 | 113.5 | L368 S391 I394 Y398 K406 A407 A408 E413 G414 | L368-Y410 HydrophobicContact CD2-CD1 3.36Å; L368-Y410 HydrophobicContact CD2-CE1 3.18Å; S391-Y410 WeakPolarHBondContact CB-O 3.19Å; I394-Y410 HydrophobicContact CG2-CD1 4.03Å; I394-Y410 HydrophobicContact CG2-CD2 3.59Å; I394-Y410 HydrophobicContact CG2-CE1 4.32Å; I394-Y410 HydrophobicContact CG2-CE2 3.9Å; I394-Y410 HydrophobicContact CG2-CG 3.63Å; Y398-Y410 AromaticContact CD2-CD2 3.5Å; Y398-Y410 HydrophobicContact CD2-CD2 3.5Å; Y398-Y410 AromaticContact CD2-CE2 3.37Å; Y398-Y410 HydrophobicContact CD2-CE2 3.37Å; Y398-Y410 AromaticContact CE2-CD2 3.75Å; Y398-Y410 HydrophobicContact CE2-CD2 3.75Å; Y398-Y410 AromaticContact CE2-CE2 3.12Å; Y398-Y410 HydrophobicContact CE2-CE2 3.12Å; Y398-Y410 AromaticContact CE2-CZ 3.92Å; Y398-Y410 HydrophobicContact CG-CD2 4.48Å; Y398-Y410 HydrophobicContact CG-CE2 4.38Å; Y398-Y410 AromaticContact CZ-CE2 3.98Å; K406-Y410 HydrophobicContact CB-CD2 4.49Å; K406-Y410 HydrophobicContact CB-CE2 4.16Å; K406-Y410 WeakPolarHBondContact O-CD2 3.28Å; K406-Y410 PolarHBondContact O-N 3.07Å; K406-Y410 VanDerWaalsContact O-N 3.09Å; A407-Y410 PolarHBondContact O-N 3.33Å; A408-Y410 PolarHBondContact O-N 3.48Å; Y410-E413 PolarHBondContact O-N 3.29Å; Y410-G414 PolarHBondContact O-N 2.95Å |
| 411 | Y | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 172.5 | -64.5 | -35.2 | 0 | 0 | 0 | 112.3 | G395 N396 E399 A407 A408 V409 E413 G414 L415 L424 N427 L428 I431 | G395-Y411 VanDerWaalsContact C-CZ 3.41Å; G395-Y411 VanDerWaalsContact CA-CE1 3.4Å; G395-Y411 PolarHBondContact O-OH 2.91Å; N396-Y411 WeakPolarHBondContact CA-OH 3.32Å; N396-Y411 PolarHBondContact N-OH 3.36Å; N396-Y411 VanDerWaalsContact N-OH 3.07Å; N396-Y411 PolarHBondContact OD1-OH 3.1Å; E399-Y411 PolarHBondContact OE2-OH 3.39Å; A407-Y411 HydrophobicContact CB-CE2 4.15Å; A407-Y411 VanDerWaalsContact O-CD2 3.26Å; A407-Y411 WeakPolarHBondContact O-CD2 3.43Å; A407-Y411 VanDerWaalsContact O-CG 3.3Å; A407-Y411 PolarHBondContact O-N 3.49Å; A408-Y411 PolarHBondContact O-N 3.44Å; V409-Y411 PolarHBondContact O-N 2.81Å; Y411-E413 VanDerWaalsContact C-N 3.26Å; Y411-E413 PolarHBondContact O-N 3.03Å; Y411-G414 PolarHBondContact O-N 3.42Å; Y411-G414 VanDerWaalsContact O-N 3.16Å; Y411-L415 WeakPolarHBondContact O-CG 3.44Å; Y411-L415 PolarHBondContact O-N 2.87Å; Y411-L424 HydrophobicContact CD1-CD2 3.56Å; Y411-L424 HydrophobicContact CE1-CD2 4.28Å; Y411-L424 HydrophobicContact CG-CD2 4.33Å; Y411-N427 HydrophobicContact CD1-CB 4.36Å; Y411-N427 HydrophobicContact CD2-CB 4.06Å; Y411-N427 HydrophobicContact CE1-CB 4Å; Y411-N427 HydrophobicContact CE2-CB 3.7Å; Y411-N427 HydrophobicContact CG-CB 4.37Å; Y411-N427 PolarHBondContact OH-ND2 3.43Å; Y411-L428 HydrophobicContact CD2-CB 4.49Å; Y411-I431 HydrophobicContact CD2-CG1 3.99Å; Y411-I431 HydrophobicContact CE2-CD1 4.29Å; Y411-I431 HydrophobicContact CE2-CG1 3.73Å |
| 412 | T | 90.2 | Very high | 85.3 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 30% | 0.301 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 174.6 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | A408 V409 L415 R416 L428 | A408-T412 VanDerWaalsContact O-CG2 3.26Å; A408-T412 WeakPolarHBondContact O-CG2 3.42Å; A408-T412 PolarHBondContact O-N 3.34Å; A408-T412 PolarHBondContact O-OG1 3.37Å; V409-T412 PolarHBondContact O-N 3.05Å; V409-T412 PolarHBondContact O-OG1 3.23Å; T412-L415 PolarHBondContact O-N 3.23Å; T412-R416 WeakPolarHBondContact O-CG 3.22Å; T412-R416 PolarHBondContact O-N 3.31Å; T412-L428 HydrophobicContact CG2-CD1 3.46Å; T412-L428 VanDerWaalsContact CG2-CD1 3.46Å |
| 413 | E | 85 | Confident | 86.2 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 174.7 | -72.8 | -172.9 | -172.7 | 0 | 0 | 112.5 | L368 R372 V409 Y410 Y411 L415 R416 Y417 | L368-E413 VanDerWaalsContact CD2-OE2 3.3Å; L368-E413 WeakPolarHBondContact CD2-OE2 3.31Å; R372-E413 IonicContact CZ-OE1 3.45Å; R372-E413 VanDerWaalsContact CZ-OE1 3.28Å; R372-E413 IonicContact CZ-OE2 3.99Å; R372-E413 VanDerWaalsContact CZ-OE2 3.32Å; R372-E413 IonicContact NE-OE1 3.32Å; R372-E413 IonicContact NE-OE2 3.46Å; R372-E413 PolarHBondContact NE-OE2 3.29Å; R372-E413 IonicContact NH2-OE1 2.82Å; R372-E413 PolarHBondContact NH2-OE1 3.23Å; R372-E413 IonicContact NH2-OE2 3Å; R372-E413 PolarHBondContact NH2-OE2 3.08Å; V409-E413 WeakPolarHBondContact O-CG 3.49Å; V409-E413 PolarHBondContact O-N 3.45Å; Y410-E413 PolarHBondContact O-N 3.29Å; Y411-E413 VanDerWaalsContact C-N 3.26Å; Y411-E413 PolarHBondContact O-N 3.03Å; E413-L415 PolarHBondContact O-N 3.27Å; E413-R416 WeakPolarHBondContact O-CB 3.41Å; E413-R416 PolarHBondContact O-N 3.4Å; E413-Y417 WeakPolarHBondContact O-CD2 3.25Å; E413-Y417 WeakPolarHBondContact O-CE2 3.14Å; E413-Y417 PolarHBondContact O-N 3.05Å |
| 414 | G | 85 | Confident | 86.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.6 | -38.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S388 Y410 Y411 Y417 D418 | S388-G414 PolarHBondContact OG-O 2.94Å; Y410-G414 PolarHBondContact O-N 2.95Å; Y411-G414 PolarHBondContact O-N 3.42Å; Y411-G414 VanDerWaalsContact O-N 3.16Å; G414-Y417 PolarHBondContact O-N 2.93Å; G414-D418 PolarHBondContact O-N 3.12Å; G414-D418 VanDerWaalsContact O-N 3.14Å |
| 415 | L | 87.2 | Confident | 87.2 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.1 | -24 | 176.9 | -69.4 | 176.1 | 0 | 0 | 0 | 113.3 | Y411 T412 E413 Y417 D418 A419 L424 M425 L428 | Y411-L415 WeakPolarHBondContact O-CG 3.44Å; Y411-L415 PolarHBondContact O-N 2.87Å; T412-L415 PolarHBondContact O-N 3.23Å; E413-L415 PolarHBondContact O-N 3.27Å; L415-Y417 PolarHBondContact O-N 3.1Å; L415-D418 CarbonylContact O-C 3.53Å; L415-D418 VanDerWaalsContact O-C 3.31Å; L415-A419 VanDerWaalsContact O-CA 3.3Å; L415-A419 WeakPolarHBondContact O-CA 3.2Å; L415-A419 PolarHBondContact O-N 3.26Å; L415-L424 HydrophobicContact CD2-CB 3.55Å; L415-L424 HydrophobicContact CD2-CD1 4.31Å; L415-L424 HydrophobicContact CG-CB 3.96Å; L415-L424 HydrophobicContact CG-CD1 4.48Å; L415-M425 HydrophobicContact CD1-CG 4.27Å; L415-M425 HydrophobicContact CD2-CG 3.59Å; L415-L428 HydrophobicContact CD1-CD1 3.93Å |
| 416 | R | 86.1 | Confident | 87.5 | Confident | 184 Ų | 184 | 47.1 Ų | 47.1 | 69% | 0.694 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.1 | -31.4 | 171.2 | -67.2 | 177.2 | -176.3 | -173 | 1.4 | 111.6 | T412 E413 | T412-R416 WeakPolarHBondContact O-CG 3.22Å; T412-R416 PolarHBondContact O-N 3.31Å; E413-R416 WeakPolarHBondContact O-CB 3.41Å; E413-R416 PolarHBondContact O-N 3.4Å |
| 417 | Y | 80.2 | Confident | 87.8 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -81.5 | -41.8 | 177.6 | -54.8 | -52.7 | 0 | 0 | 0 | 112.6 | R372 Y375 C387 E413 G414 L415 | R372-Y417 WeakPolarHBondContact CG-OH 3.49Å; Y375-Y417 HydrophobicContact CD1-CD1 4.18Å; Y375-Y417 AromaticContact CD1-CE1 3.79Å; Y375-Y417 HydrophobicContact CD1-CE1 3.79Å; Y375-Y417 AromaticContact CD2-CD1 3.34Å; Y375-Y417 HydrophobicContact CD2-CD1 3.34Å; Y375-Y417 AromaticContact CD2-CE1 3.61Å; Y375-Y417 HydrophobicContact CD2-CE1 3.61Å; Y375-Y417 HydrophobicContact CE1-CD1 4.35Å; Y375-Y417 HydrophobicContact CE1-CE1 4.3Å; Y375-Y417 AromaticContact CE2-CD1 3.55Å; Y375-Y417 HydrophobicContact CE2-CD1 3.55Å; Y375-Y417 HydrophobicContact CE2-CE1 4.14Å; Y375-Y417 AromaticContact CG-CD1 3.68Å; Y375-Y417 HydrophobicContact CG-CD1 3.68Å; Y375-Y417 AromaticContact CG-CE1 3.4Å; Y375-Y417 HydrophobicContact CG-CE1 3.4Å; Y375-Y417 VanDerWaalsContact CG-CE1 3.4Å; C387-Y417 HydrophobicContact CB-CD1 4.16Å; C387-Y417 HydrophobicContact CB-CD2 3.54Å; C387-Y417 HydrophobicContact CB-CE1 4.36Å; C387-Y417 HydrophobicContact CB-CE2 3.78Å; C387-Y417 HydrophobicContact CB-CG 3.75Å; E413-Y417 WeakPolarHBondContact O-CD2 3.25Å; E413-Y417 WeakPolarHBondContact O-CE2 3.14Å; E413-Y417 PolarHBondContact O-N 3.05Å; G414-Y417 PolarHBondContact O-N 2.93Å; L415-Y417 PolarHBondContact O-N 3.1Å |
| 418 | D | 82.9 | Confident | 88.1 | Confident | 57 Ų | 57 | 44.9 Ų | 44.9 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | trans | -135.4 | 95.6 | 175.5 | -175.3 | 4.8 | 0 | 0 | 0 | 111.1 | G414 L415 K420 N421 | G414-D418 PolarHBondContact O-N 3.12Å; G414-D418 VanDerWaalsContact O-N 3.14Å; L415-D418 CarbonylContact O-C 3.53Å; L415-D418 VanDerWaalsContact O-C 3.31Å; D418-K420 PolarHBondContact O-N 2.78Å; D418-K420 PolarHBondContact OD1-N 3.22Å; D418-K420 VanDerWaalsContact OD1-N 3.11Å; D418-N421 HydrophobicContact CB-CB 4.1Å; D418-N421 PolarHBondContact O-N 3.26Å | ||
| 419 | A | 85 | Confident | 88.2 | Confident | 76 Ų | 76 | 44 Ų | 44 | 63% | 0.628 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L415 | L415-A419 VanDerWaalsContact O-CA 3.3Å; L415-A419 WeakPolarHBondContact O-CA 3.2Å; L415-A419 PolarHBondContact O-N 3.26Å |
| 420 | K | 84.9 | Confident | 88.2 | Confident | 160 Ų | 160 | 43.2 Ų | 43.2 | 70% | 0.696 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 10.2 | 179.5 | -64.9 | -173.7 | -179.6 | -177.9 | 0 | 112.8 | D418 I422 | D418-K420 PolarHBondContact O-N 2.78Å; D418-K420 PolarHBondContact OD1-N 3.22Å; D418-K420 VanDerWaalsContact OD1-N 3.11Å; K420-I422 PolarHBondContact O-N 3.13Å |
| 421 | N | 87.9 | Confident | 88.4 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | trans | -73.2 | 95.6 | 178.1 | -172.2 | -15.5 | 0 | 0 | 0 | 110.7 | S388 D418 K423 L424 M425 | S388-N421 PolarHBondContact OG-ND2 3.14Å; S388-N421 VanDerWaalsContact OG-ND2 3.08Å; D418-N421 HydrophobicContact CB-CB 4.1Å; D418-N421 PolarHBondContact O-N 3.26Å; N421-K423 PolarHBondContact O-N 2.95Å; N421-K423 PolarHBondContact OD1-N 2.9Å; N421-L424 HydrophobicContact CB-CB 4.26Å; N421-L424 HydrophobicContact CB-CD1 4.14Å; N421-L424 HydrophobicContact CB-CG 4.44Å; N421-L424 WeakPolarHBondContact ND2-CD1 3.24Å; N421-L424 PolarHBondContact O-N 3.47Å; N421-L424 VanDerWaalsContact O-N 3.17Å; N421-L424 PolarHBondContact OD1-N 3.46Å; N421-M425 WeakPolarHBondContact O-CG 3.41Å; N421-M425 PolarHBondContact O-N 3.12Å; N421-M425 VanDerWaalsContact O-N 3.15Å | ||
| 422 | I | 90.7 | Very high | 88.4 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53 | -40.1 | -179.5 | -64.3 | 174.8 | 0 | 0 | 0 | 111.8 | K420 L424 M425 L426 V448 I451 D452 N455 | K420-I422 PolarHBondContact O-N 3.13Å; I422-L424 PolarHBondContact O-N 2.98Å; I422-M425 PolarHBondContact O-N 3.36Å; I422-L426 HydrophobicContact CG2-CD1 3.67Å; I422-L426 HydrophobicContact CG2-CG 4.22Å; I422-L426 WeakPolarHBondContact O-CG 3.39Å; I422-L426 PolarHBondContact O-N 2.94Å; I422-V448 HydrophobicContact CG2-CG1 3.83Å; I422-I451 HydrophobicContact CD1-CG2 3.98Å; I422-I451 HydrophobicContact CG1-CG2 4.18Å; I422-D452 HydrophobicContact CD1-CB 4.06Å; I422-N455 VanDerWaalsContact CG2-ND2 3.31Å; I422-N455 WeakPolarHBondContact CG2-ND2 3.44Å |
| 423 | K | 90.9 | Very high | 88.2 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 59% | 0.587 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.4 | -43 | -177.9 | -65.6 | -176.5 | 175.9 | -176.4 | 0 | 112.1 | N421 M425 L426 N427 | N421-K423 PolarHBondContact O-N 2.95Å; N421-K423 PolarHBondContact OD1-N 2.9Å; K423-M425 VanDerWaalsContact C-N 3.35Å; K423-L426 PolarHBondContact O-N 2.92Å; K423-N427 WeakPolarHBondContact O-CB 3.49Å; K423-N427 VanDerWaalsContact O-CG 3.29Å; K423-N427 PolarHBondContact O-N 3.38Å; K423-N427 PolarHBondContact O-OD1 3.43Å; K423-N427 VanDerWaalsContact O-OD1 3.13Å |
| 424 | L | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | 176.3 | -80.5 | 176.4 | 0 | 0 | 0 | 112.1 | S388 Q392 Y411 L415 N421 I422 L426 L428 | S388-L424 WeakPolarHBondContact OG-CD1 3.42Å; Q392-L424 HydrophobicContact CB-CD2 3.63Å; Q392-L424 HydrophobicContact CB-CG 4.28Å; Q392-L424 HydrophobicContact CG-CD2 3.87Å; Q392-L424 HydrophobicContact CG-CG 4.48Å; Y411-L424 HydrophobicContact CD1-CD2 3.56Å; Y411-L424 HydrophobicContact CE1-CD2 4.28Å; Y411-L424 HydrophobicContact CG-CD2 4.33Å; L415-L424 HydrophobicContact CD2-CB 3.55Å; L415-L424 HydrophobicContact CD2-CD1 4.31Å; L415-L424 HydrophobicContact CG-CB 3.96Å; L415-L424 HydrophobicContact CG-CD1 4.48Å; N421-L424 HydrophobicContact CB-CB 4.26Å; N421-L424 HydrophobicContact CB-CD1 4.14Å; N421-L424 HydrophobicContact CB-CG 4.44Å; N421-L424 WeakPolarHBondContact ND2-CD1 3.24Å; N421-L424 PolarHBondContact O-N 3.47Å; N421-L424 VanDerWaalsContact O-N 3.17Å; N421-L424 PolarHBondContact OD1-N 3.46Å; I422-L424 PolarHBondContact O-N 2.98Å; L424-L426 VanDerWaalsContact C-N 3.34Å; L424-L428 WeakPolarHBondContact O-CB 3.17Å; L424-L428 PolarHBondContact O-N 3.03Å |
| 425 | M | 92 | Very high | 88.1 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.3 | -63.6 | 176.7 | 73.4 | 0 | 0 | 111.4 | L415 N421 I422 K423 A429 A447 V448 I451 | L415-M425 HydrophobicContact CD1-CG 4.27Å; L415-M425 HydrophobicContact CD2-CG 3.59Å; N421-M425 WeakPolarHBondContact O-CG 3.41Å; N421-M425 PolarHBondContact O-N 3.12Å; N421-M425 VanDerWaalsContact O-N 3.15Å; I422-M425 PolarHBondContact O-N 3.36Å; K423-M425 VanDerWaalsContact C-N 3.35Å; M425-A429 WeakPolarHBondContact O-CB 3.41Å; M425-A429 PolarHBondContact O-N 2.9Å; M425-A447 HydrophobicContact CE-CB 3.32Å; M425-V448 HydrophobicContact CB-CG2 3.5Å; M425-V448 VanDerWaalsContact CB-CG2 3.5Å; M425-V448 HydrophobicContact CE-CG2 3.92Å; M425-V448 HydrophobicContact CG-CG2 4.4Å; M425-V448 HydrophobicContact SD-CG2 4.11Å; M425-I451 HydrophobicContact CE-CD1 4.36Å; M425-I451 HydrophobicContact SD-CD1 3.82Å |
| 426 | L | 92.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -46.9 | 176 | -70.4 | 169.4 | 0 | 0 | 0 | 111.9 | I422 K423 L424 L428 A429 H430 V448 E457 A458 M461 | I422-L426 HydrophobicContact CG2-CD1 3.67Å; I422-L426 HydrophobicContact CG2-CG 4.22Å; I422-L426 WeakPolarHBondContact O-CG 3.39Å; I422-L426 PolarHBondContact O-N 2.94Å; K423-L426 PolarHBondContact O-N 2.92Å; L424-L426 VanDerWaalsContact C-N 3.34Å; L426-L428 VanDerWaalsContact C-N 3.26Å; L426-L428 PolarHBondContact O-N 3.45Å; L426-A429 CarbonylContact O-C 3.49Å; L426-A429 WeakPolarHBondContact O-CB 3.47Å; L426-A429 PolarHBondContact O-N 3.31Å; L426-A429 VanDerWaalsContact O-N 3.14Å; L426-H430 PolarHBondContact O-N 3.39Å; L426-V448 HydrophobicContact CD2-CG1 4.31Å; L426-V448 HydrophobicContact CD2-CG2 4.25Å; L426-V448 HydrophobicContact CG-CG2 4.29Å; L426-E457 HydrophobicContact CD1-CB 4.03Å; L426-E457 HydrophobicContact CD1-CG 4.06Å; L426-E457 WeakPolarHBondContact CD1-OE2 3.27Å; L426-E457 HydrophobicContact CD2-CB 4.44Å; L426-E457 HydrophobicContact CD2-CG 4.32Å; L426-A458 HydrophobicContact CD2-CB 3.9Å; L426-M461 HydrophobicContact CD2-SD 3.91Å; L426-M461 WeakPolarHBondContact O-CE 3.41Å |
| 427 | N | 90.9 | Very high | 88 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | 175.3 | -72.8 | 16.1 | 0 | 0 | 0 | 111.5 | N396 Y411 K423 H430 I431 | N396-N427 PolarHBondContact OD1-ND2 3.41Å; Y411-N427 HydrophobicContact CD1-CB 4.36Å; Y411-N427 HydrophobicContact CD2-CB 4.06Å; Y411-N427 HydrophobicContact CE1-CB 4Å; Y411-N427 HydrophobicContact CE2-CB 3.7Å; Y411-N427 HydrophobicContact CG-CB 4.37Å; Y411-N427 PolarHBondContact OH-ND2 3.43Å; K423-N427 WeakPolarHBondContact O-CB 3.49Å; K423-N427 VanDerWaalsContact O-CG 3.29Å; K423-N427 PolarHBondContact O-N 3.38Å; K423-N427 PolarHBondContact O-OD1 3.43Å; K423-N427 VanDerWaalsContact O-OD1 3.13Å; N427-H430 VanDerWaalsContact O-CB 3.31Å; N427-H430 WeakPolarHBondContact O-CB 3.48Å; N427-H430 PolarHBondContact O-N 3.09Å; N427-I431 WeakPolarHBondContact O-CG1 3.49Å; N427-I431 PolarHBondContact O-N 3.37Å |
| 428 | L | 92.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.3 | -37.3 | 177.8 | -176.9 | 149.4 | 0 | 0 | 0 | 112.2 | Y411 T412 L415 L424 L426 H430 I431 Y432 Q444 | Y411-L428 HydrophobicContact CD2-CB 4.49Å; T412-L428 HydrophobicContact CG2-CD1 3.46Å; T412-L428 VanDerWaalsContact CG2-CD1 3.46Å; L415-L428 HydrophobicContact CD1-CD1 3.93Å; L424-L428 WeakPolarHBondContact O-CB 3.17Å; L424-L428 PolarHBondContact O-N 3.03Å; L426-L428 VanDerWaalsContact C-N 3.26Å; L426-L428 PolarHBondContact O-N 3.45Å; L428-H430 VanDerWaalsContact C-N 3.33Å; L428-I431 PolarHBondContact O-N 2.93Å; L428-Y432 HydrophobicContact CD2-CD2 3.57Å; L428-Y432 HydrophobicContact CD2-CE2 3.02Å; L428-Y432 HydrophobicContact CG-CD2 4.43Å; L428-Y432 HydrophobicContact CG-CE2 3.93Å; L428-Y432 WeakPolarHBondContact O-CD2 3.35Å; L428-Y432 PolarHBondContact O-N 3.05Å; L428-Q444 HydrophobicContact CD2-CG 3.52Å |
| 429 | A | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | M425 L426 Y432 L433 C441 Q444 M461 | M425-A429 WeakPolarHBondContact O-CB 3.41Å; M425-A429 PolarHBondContact O-N 2.9Å; L426-A429 CarbonylContact O-C 3.49Å; L426-A429 WeakPolarHBondContact O-CB 3.47Å; L426-A429 PolarHBondContact O-N 3.31Å; L426-A429 VanDerWaalsContact O-N 3.14Å; A429-Y432 PolarHBondContact O-N 3.14Å; A429-L433 WeakPolarHBondContact O-CB 3.35Å; A429-L433 PolarHBondContact O-N 3.46Å; A429-C441 PolarHBondContact O-SG 3.39Å; A429-Q444 HydrophobicContact CB-CB 3.94Å; A429-M461 HydrophobicContact CB-SD 3.85Å |
| 430 | H | 89.9 | Confident | 89 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 173.7 | -170 | -123.9 | 0 | 0 | 0 | 111.6 | E399 L426 N427 L428 Y432 L433 I434 M461 | E399-H430 IonicContact OE1-CE1 3.93Å; E399-H430 PolarHBondContact OE1-CE1 2.72Å; E399-H430 IonicContact OE1-ND1 2.89Å; E399-H430 PolarHBondContact OE1-ND1 3.02Å; L426-H430 PolarHBondContact O-N 3.39Å; N427-H430 VanDerWaalsContact O-CB 3.31Å; N427-H430 WeakPolarHBondContact O-CB 3.48Å; N427-H430 PolarHBondContact O-N 3.09Å; L428-H430 VanDerWaalsContact C-N 3.33Å; H430-Y432 VanDerWaalsContact C-N 3.32Å; H430-Y432 PolarHBondContact O-N 3Å; H430-L433 WeakPolarHBondContact O-CB 3.2Å; H430-L433 PolarHBondContact O-N 3.34Å; H430-L433 VanDerWaalsContact O-N 3.16Å; H430-I434 WeakPolarHBondContact CE1-CD1 3.32Å; H430-I434 WeakPolarHBondContact O-CG1 3.35Å; H430-I434 PolarHBondContact O-N 3.49Å; H430-M461 HydrophobicContact CB-CE 3.55Å |
| 431 | I | 88.7 | Confident | 89.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 176.9 | -64.6 | -66 | 0 | 0 | 0 | 111.1 | E399 Y404 A407 A408 Y411 N427 L428 L433 I434 T435 | E399-I431 HydrophobicContact CB-CD1 4.36Å; E399-I431 HydrophobicContact CG-CD1 3.99Å; Y404-I431 HydrophobicContact CD1-CD1 3.55Å; Y404-I431 HydrophobicContact CE1-CD1 4.39Å; Y404-I431 HydrophobicContact CG-CD1 4.32Å; A407-I431 HydrophobicContact CB-CD1 3.99Å; A407-I431 HydrophobicContact CB-CG1 4.47Å; A408-I431 HydrophobicContact CB-CG2 3.93Å; Y411-I431 HydrophobicContact CD2-CG1 3.99Å; Y411-I431 HydrophobicContact CE2-CD1 4.29Å; Y411-I431 HydrophobicContact CE2-CG1 3.73Å; N427-I431 WeakPolarHBondContact O-CG1 3.49Å; N427-I431 PolarHBondContact O-N 3.37Å; L428-I431 PolarHBondContact O-N 2.93Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 3.3Å; I431-I434 PolarHBondContact O-N 3.16Å; I431-T435 HydrophobicContact CG2-CG2 4.28Å; I431-T435 WeakPolarHBondContact O-CB 3.28Å; I431-T435 WeakPolarHBondContact O-CG2 3.35Å; I431-T435 PolarHBondContact O-N 3.48Å; I431-T435 PolarHBondContact O-OG1 3.16Å |
| 432 | Y | 90.5 | Very high | 89.5 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 17% | 0.169 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 175.9 | -69.4 | -27.4 | 0 | 0 | 0 | 113.1 | L428 A429 H430 T435 D436 N437 E440 Q444 | L428-Y432 HydrophobicContact CD2-CD2 3.57Å; L428-Y432 HydrophobicContact CD2-CE2 3.02Å; L428-Y432 HydrophobicContact CG-CD2 4.43Å; L428-Y432 HydrophobicContact CG-CE2 3.93Å; L428-Y432 WeakPolarHBondContact O-CD2 3.35Å; L428-Y432 PolarHBondContact O-N 3.05Å; A429-Y432 PolarHBondContact O-N 3.14Å; H430-Y432 VanDerWaalsContact C-N 3.32Å; H430-Y432 PolarHBondContact O-N 3Å; Y432-T435 WeakPolarHBondContact CA-OG1 3.14Å; Y432-T435 PolarHBondContact O-OG1 2.81Å; Y432-D436 PolarHBondContact O-N 3.28Å; Y432-N437 HydrophobicContact CD1-CB 4.09Å; Y432-N437 HydrophobicContact CG-CB 4.33Å; Y432-N437 PolarHBondContact O-N 3.16Å; Y432-E440 HydrophobicContact CD1-CB 4.38Å; Y432-E440 HydrophobicContact CD2-CB 3.4Å; Y432-E440 HydrophobicContact CE1-CB 4.49Å; Y432-E440 HydrophobicContact CE2-CB 3.46Å; Y432-E440 VanDerWaalsContact CE2-CB 3.46Å; Y432-E440 HydrophobicContact CE2-CG 4.31Å; Y432-E440 HydrophobicContact CG-CB 3.89Å; Y432-Q444 HydrophobicContact CD2-CG 4.2Å; Y432-Q444 HydrophobicContact CE2-CG 4.08Å |
| 433 | L | 87.4 | Confident | 89.7 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 173.8 | -166.5 | 73.9 | 0 | 0 | 0 | 112 | A429 H430 I431 D464 L465 | A429-L433 WeakPolarHBondContact O-CB 3.35Å; A429-L433 PolarHBondContact O-N 3.46Å; H430-L433 WeakPolarHBondContact O-CB 3.2Å; H430-L433 PolarHBondContact O-N 3.34Å; H430-L433 VanDerWaalsContact O-N 3.16Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 3.3Å; L433-D464 HydrophobicContact CD2-CB 4.13Å; L433-L465 HydrophobicContact CD1-CB 3.88Å |
| 434 | I | 83.2 | Confident | 89.7 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.3 | -38.3 | 178.7 | -67.6 | 169.3 | 0 | 0 | 0 | 111.7 | Y404 H430 I431 D436 | Y404-I434 HydrophobicContact CD2-CG2 3.96Å; Y404-I434 HydrophobicContact CE1-CD1 4.17Å; Y404-I434 HydrophobicContact CE1-CG2 4.23Å; Y404-I434 HydrophobicContact CE2-CG2 3.57Å; Y404-I434 HydrophobicContact CG-CG2 4.44Å; H430-I434 WeakPolarHBondContact CE1-CD1 3.32Å; H430-I434 WeakPolarHBondContact O-CG1 3.35Å; H430-I434 PolarHBondContact O-N 3.49Å; I431-I434 PolarHBondContact O-N 3.16Å; I434-D436 PolarHBondContact O-N 2.66Å |
| 435 | T | 83.5 | Confident | 89.8 | Confident | 52 Ų | 52 | 38.7 Ų | 38.7 | 32% | 0.319 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 7.6 | -179.2 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | Y404 I431 Y432 N437 | Y404-T435 HydrophobicContact CD2-CG2 4.49Å; Y404-T435 HydrophobicContact CG-CG2 4.42Å; I431-T435 HydrophobicContact CG2-CG2 4.28Å; I431-T435 WeakPolarHBondContact O-CB 3.28Å; I431-T435 WeakPolarHBondContact O-CG2 3.35Å; I431-T435 PolarHBondContact O-N 3.48Å; I431-T435 PolarHBondContact O-OG1 3.16Å; Y432-T435 WeakPolarHBondContact CA-OG1 3.14Å; Y432-T435 PolarHBondContact O-OG1 2.81Å; T435-N437 PolarHBondContact O-N 3.12Å; T435-N437 PolarHBondContact OG1-ND2 2.9Å |
| 436 | D | 83.6 | Confident | 89.7 | Confident | 94 Ų | 94 | 42.6 Ų | 42.6 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 21.4 | -178.7 | -156.2 | 32.5 | 0 | 0 | 0 | 114.4 | Y432 I434 L438 | Y432-D436 PolarHBondContact O-N 3.28Å; I434-D436 PolarHBondContact O-N 2.66Å; D436-L438 VanDerWaalsContact C-N 3.25Å; D436-L438 PolarHBondContact O-N 3.05Å; D436-L438 VanDerWaalsContact O-N 3.07Å |
| 437 | N | 87.5 | Confident | 89.7 | Confident | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | trans | -85.7 | 67.4 | 172.7 | -68.3 | -48.3 | 0 | 0 | 0 | 109.9 | Y432 T435 E439 E440 C441 | Y432-N437 HydrophobicContact CD1-CB 4.09Å; Y432-N437 HydrophobicContact CG-CB 4.33Å; Y432-N437 PolarHBondContact O-N 3.16Å; T435-N437 PolarHBondContact O-N 3.12Å; T435-N437 PolarHBondContact OG1-ND2 2.9Å; N437-E439 VanDerWaalsContact C-N 3.31Å; N437-E439 PolarHBondContact O-N 2.92Å; N437-E440 PolarHBondContact O-N 3.49Å; N437-C441 PolarHBondContact O-N 3.23Å; N437-C441 VanDerWaalsContact O-N 3.12Å | ||
| 438 | L | 87.4 | Confident | 89.8 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -31.3 | -168.6 | -56.4 | 179.7 | 0 | 0 | 0 | 113.3 | D436 Y442 L465 Q468 K469 | D436-L438 VanDerWaalsContact C-N 3.25Å; D436-L438 PolarHBondContact O-N 3.05Å; D436-L438 VanDerWaalsContact O-N 3.07Å; L438-Y442 WeakPolarHBondContact O-CB 3.32Å; L438-Y442 PolarHBondContact O-N 3.23Å; L438-L465 VanDerWaalsContact O-CD1 3.28Å; L438-L465 WeakPolarHBondContact O-CD1 3.19Å; L438-Q468 HydrophobicContact CD2-CB 4.42Å; L438-Q468 VanDerWaalsContact CD2-OE1 3.27Å; L438-K469 HydrophobicContact CD1-CG 3.87Å |
| 439 | E | 91.1 | Very high | 89.6 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -74.9 | -41 | -176.7 | -167.2 | 55.7 | -151.2 | 0 | 0 | 111.7 | N437 Y442 Q443 K469 | N437-E439 VanDerWaalsContact C-N 3.31Å; N437-E439 PolarHBondContact O-N 2.92Å; E439-Y442 WeakPolarHBondContact O-CB 3.33Å; E439-Y442 PolarHBondContact O-N 3.35Å; E439-Q443 WeakPolarHBondContact O-CG 3.49Å; E439-Q443 PolarHBondContact O-N 3.26Å; E439-K469 IonicContact OE2-NZ 2.78Å; E439-K469 PolarHBondContact OE2-NZ 3.34Å |
| 440 | E | 91 | Very high | 89.6 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 174.7 | -65.3 | 79.1 | 179.9 | 0 | 0 | 110.8 | Y432 N437 Y442 Q443 Q444 | Y432-E440 HydrophobicContact CD1-CB 4.38Å; Y432-E440 HydrophobicContact CD2-CB 3.4Å; Y432-E440 HydrophobicContact CE1-CB 4.49Å; Y432-E440 HydrophobicContact CE2-CB 3.46Å; Y432-E440 VanDerWaalsContact CE2-CB 3.46Å; Y432-E440 HydrophobicContact CE2-CG 4.31Å; Y432-E440 HydrophobicContact CG-CB 3.89Å; N437-E440 PolarHBondContact O-N 3.49Å; E440-Y442 VanDerWaalsContact C-N 3.33Å; E440-Y442 PolarHBondContact O-N 3Å; E440-Q443 PolarHBondContact O-N 2.85Å; E440-Q444 VanDerWaalsContact O-CG 3.25Å; E440-Q444 WeakPolarHBondContact O-CG 3.14Å; E440-Q444 PolarHBondContact O-N 3.12Å |
| 441 | C | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | A429 N437 Q443 Q444 C445 L465 | A429-C441 PolarHBondContact O-SG 3.39Å; N437-C441 PolarHBondContact O-N 3.23Å; N437-C441 VanDerWaalsContact O-N 3.12Å; C441-Q443 PolarHBondContact O-N 3.29Å; C441-Q444 PolarHBondContact O-N 3.37Å; C441-C445 WeakPolarHBondContact O-CB 3.32Å; C441-C445 PolarHBondContact O-N 3.37Å; C441-C445 PolarHBondContact O-SG 2.76Å; C441-L465 HydrophobicContact CB-CD1 3.78Å |
| 442 | Y | 92.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 58 Ų | 58 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 177.7 | -177.6 | -109.5 | 0 | 0 | 0 | 112.4 | L438 E439 E440 K446 L462 L465 M466 | L438-Y442 WeakPolarHBondContact O-CB 3.32Å; L438-Y442 PolarHBondContact O-N 3.23Å; E439-Y442 WeakPolarHBondContact O-CB 3.33Å; E439-Y442 PolarHBondContact O-N 3.35Å; E440-Y442 VanDerWaalsContact C-N 3.33Å; E440-Y442 PolarHBondContact O-N 3Å; Y442-K446 HydrophobicContact CD1-CD 4.02Å; Y442-K446 HydrophobicContact CE1-CD 3.51Å; Y442-K446 VanDerWaalsContact CE1-CE 3.41Å; Y442-K446 HydrophobicContact CE1-CG 4.45Å; Y442-K446 HydrophobicContact CE2-CD 4.37Å; Y442-K446 WeakPolarHBondContact O-CB 3.45Å; Y442-K446 PolarHBondContact O-N 2.96Å; Y442-K446 WeakPolarHBondContact OH-CE 3.11Å; Y442-K446 PolarHBondContact OH-NZ 3.47Å; Y442-L462 HydrophobicContact CD2-CD1 3.49Å; Y442-L462 VanDerWaalsContact CD2-CD1 3.49Å; Y442-L462 HydrophobicContact CE2-CD1 3.71Å; Y442-L465 HydrophobicContact CD2-CD2 4.32Å; Y442-M466 HydrophobicContact CD2-CE 4.05Å; Y442-M466 HydrophobicContact CE2-CE 3.52Å |
| 443 | Q | 93.3 | Very high | 89.4 | Confident | 114 Ų | 114 | 63.8 Ų | 63.8 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.5 | -71 | 179 | 17.3 | 0 | 0 | 112 | E439 E440 C441 K446 A447 | E439-Q443 WeakPolarHBondContact O-CG 3.49Å; E439-Q443 PolarHBondContact O-N 3.26Å; E440-Q443 PolarHBondContact O-N 2.85Å; C441-Q443 PolarHBondContact O-N 3.29Å; Q443-K446 PolarHBondContact O-N 3.33Å; Q443-A447 WeakPolarHBondContact O-CB 3.47Å; Q443-A447 PolarHBondContact O-N 2.82Å |
| 444 | Q | 91.9 | Very high | 89.3 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 177.9 | -67 | -64.7 | -19.8 | 0 | 0 | 111.8 | L428 A429 Y432 E440 C441 K446 A447 V448 | L428-Q444 HydrophobicContact CD2-CG 3.52Å; A429-Q444 HydrophobicContact CB-CB 3.94Å; Y432-Q444 HydrophobicContact CD2-CG 4.2Å; Y432-Q444 HydrophobicContact CE2-CG 4.08Å; E440-Q444 VanDerWaalsContact O-CG 3.25Å; E440-Q444 WeakPolarHBondContact O-CG 3.14Å; E440-Q444 PolarHBondContact O-N 3.12Å; C441-Q444 PolarHBondContact O-N 3.37Å; Q444-K446 VanDerWaalsContact C-N 3.32Å; Q444-K446 PolarHBondContact O-N 3.4Å; Q444-A447 WeakPolarHBondContact O-CB 3.32Å; Q444-A447 PolarHBondContact O-N 3.4Å; Q444-A447 VanDerWaalsContact O-N 3.07Å; Q444-V448 WeakPolarHBondContact O-CG2 3.43Å; Q444-V448 PolarHBondContact O-N 2.68Å |
| 445 | C | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 175.1 | -67 | 0 | 0 | 0 | 0 | 111.4 | C441 A447 V448 M449 L462 | C441-C445 WeakPolarHBondContact O-CB 3.32Å; C441-C445 PolarHBondContact O-N 3.37Å; C441-C445 PolarHBondContact O-SG 2.76Å; C445-A447 VanDerWaalsContact C-N 3.32Å; C445-A447 PolarHBondContact O-N 3.4Å; C445-V448 PolarHBondContact O-N 3.1Å; C445-M449 WeakPolarHBondContact O-CG 3.21Å; C445-M449 PolarHBondContact O-N 3.39Å; C445-L462 HydrophobicContact CB-CD1 4.3Å |
| 446 | K | 91.3 | Very high | 89.9 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 40% | 0.404 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 174 | -86.1 | -175 | 158.4 | 176.8 | 0 | 112.9 | Y442 Q443 Q444 M449 K450 | Y442-K446 HydrophobicContact CD1-CD 4.02Å; Y442-K446 HydrophobicContact CE1-CD 3.51Å; Y442-K446 VanDerWaalsContact CE1-CE 3.41Å; Y442-K446 HydrophobicContact CE1-CG 4.45Å; Y442-K446 HydrophobicContact CE2-CD 4.37Å; Y442-K446 WeakPolarHBondContact O-CB 3.45Å; Y442-K446 PolarHBondContact O-N 2.96Å; Y442-K446 WeakPolarHBondContact OH-CE 3.11Å; Y442-K446 PolarHBondContact OH-NZ 3.47Å; Q443-K446 PolarHBondContact O-N 3.33Å; Q444-K446 VanDerWaalsContact C-N 3.32Å; Q444-K446 PolarHBondContact O-N 3.4Å; K446-M449 PolarHBondContact O-N 3.49Å; K446-K450 WeakPolarHBondContact O-CG 3.46Å; K446-K450 PolarHBondContact O-N 3.48Å |
| 447 | A | 91.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 67.2 Ų | 67.2 | 26% | 0.264 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M425 Q443 Q444 C445 K450 I451 | M425-A447 HydrophobicContact CE-CB 3.32Å; Q443-A447 WeakPolarHBondContact O-CB 3.47Å; Q443-A447 PolarHBondContact O-N 2.82Å; Q444-A447 WeakPolarHBondContact O-CB 3.32Å; Q444-A447 PolarHBondContact O-N 3.4Å; Q444-A447 VanDerWaalsContact O-N 3.07Å; C445-A447 VanDerWaalsContact C-N 3.32Å; C445-A447 PolarHBondContact O-N 3.4Å; A447-K450 PolarHBondContact O-N 3.49Å; A447-I451 PolarHBondContact O-N 3.09Å |
| 448 | V | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 111 | I422 M425 L426 Q444 C445 K450 I451 D452 N455 A458 | I422-V448 HydrophobicContact CG2-CG1 3.83Å; M425-V448 HydrophobicContact CB-CG2 3.5Å; M425-V448 VanDerWaalsContact CB-CG2 3.5Å; M425-V448 HydrophobicContact CE-CG2 3.92Å; M425-V448 HydrophobicContact CG-CG2 4.4Å; M425-V448 HydrophobicContact SD-CG2 4.11Å; L426-V448 HydrophobicContact CD2-CG1 4.31Å; L426-V448 HydrophobicContact CD2-CG2 4.25Å; L426-V448 HydrophobicContact CG-CG2 4.29Å; Q444-V448 WeakPolarHBondContact O-CG2 3.43Å; Q444-V448 PolarHBondContact O-N 2.68Å; C445-V448 PolarHBondContact O-N 3.1Å; V448-K450 PolarHBondContact O-N 3.28Å; V448-I451 PolarHBondContact O-N 2.85Å; V448-D452 PolarHBondContact O-N 3.37Å; V448-N455 HydrophobicContact CG1-CB 4.12Å; V448-A458 HydrophobicContact CB-CB 4.09Å; V448-A458 HydrophobicContact CG1-CB 3.69Å |
| 449 | M | 89.1 | Confident | 90.5 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -24.4 | 179.2 | -69.6 | -176.3 | 81.6 | 0 | 0 | 113.9 | C445 K446 D452 K453 A458 L462 | C445-M449 WeakPolarHBondContact O-CG 3.21Å; C445-M449 PolarHBondContact O-N 3.39Å; K446-M449 PolarHBondContact O-N 3.49Å; M449-D452 WeakPolarHBondContact CA-O 2.82Å; M449-D452 CarbonylContact O-C 3.14Å; M449-K453 WeakPolarHBondContact O-CA 3.45Å; M449-K453 PolarHBondContact O-N 3.01Å; M449-A458 HydrophobicContact CG-CB 4.25Å; M449-L462 HydrophobicContact SD-CD2 4.01Å |
| 450 | K | 91.2 | Very high | 90.5 | Very high | 177 Ų | 177 | 59.2 Ų | 59.2 | 77% | 0.77 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.5 | -32.6 | 172 | -76 | 175 | -178.2 | 179.3 | 0 | 112.4 | K446 A447 V448 | K446-K450 WeakPolarHBondContact O-CG 3.46Å; K446-K450 PolarHBondContact O-N 3.48Å; A447-K450 PolarHBondContact O-N 3.49Å; V448-K450 PolarHBondContact O-N 3.28Å |
| 451 | I | 90.6 | Very high | 90.4 | Very high | 82 Ų | 82 | 56 Ų | 56 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -81.2 | -49.7 | 178 | -61.3 | 170.1 | 0 | 0 | 0 | 109.7 | I422 M425 A447 V448 | I422-I451 HydrophobicContact CD1-CG2 3.98Å; I422-I451 HydrophobicContact CG1-CG2 4.18Å; M425-I451 HydrophobicContact CE-CD1 4.36Å; M425-I451 HydrophobicContact SD-CD1 3.82Å; A447-I451 PolarHBondContact O-N 3.09Å; V448-I451 PolarHBondContact O-N 2.85Å |
| 452 | D | 88.5 | Confident | 90.3 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 32% | 0.316 | 27% | 0.272 | S | S | . | . | trans | -129.6 | 99.4 | 178.8 | -179.8 | 9.9 | 0 | 0 | 0 | 110.1 | I422 V448 M449 N454 N455 | I422-D452 HydrophobicContact CD1-CB 4.06Å; V448-D452 PolarHBondContact O-N 3.37Å; M449-D452 WeakPolarHBondContact CA-O 2.82Å; M449-D452 CarbonylContact O-C 3.14Å; D452-N454 PolarHBondContact O-N 3.18Å; D452-N454 VanDerWaalsContact O-N 3.16Å; D452-N454 PolarHBondContact OD1-N 3.47Å; D452-N455 HydrophobicContact CB-CB 4.14Å; D452-N455 PolarHBondContact O-N 3.16Å | ||
| 453 | K | 86.3 | Confident | 90.2 | Very high | 165 Ų | 165 | 54 Ų | 54 | 72% | 0.717 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.5 | 179.5 | -67.1 | -178 | 179.5 | 179.3 | 0 | 112.8 | M449 | M449-K453 WeakPolarHBondContact O-CA 3.45Å; M449-K453 PolarHBondContact O-N 3.01Å |
| 454 | N | 85.6 | Confident | 89.9 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 22.1 | -173.5 | -75.2 | -5 | 0 | 0 | 0 | 112.3 | D452 D456 R485 | D452-N454 PolarHBondContact O-N 3.18Å; D452-N454 VanDerWaalsContact O-N 3.16Å; D452-N454 PolarHBondContact OD1-N 3.47Å; N454-D456 PolarHBondContact O-N 3.43Å; N454-R485 VanDerWaalsContact C-NH2 3.29Å; N454-R485 VanDerWaalsContact CA-NH2 3.27Å; N454-R485 VanDerWaalsContact CB-NH2 3.27Å; N454-R485 PolarHBondContact O-NH2 2.98Å |
| 455 | N | 89.7 | Confident | 89.7 | Confident | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | trans | -73.3 | 111.4 | 176.7 | -166.2 | -50.4 | 0 | 0 | 0 | 111.8 | I422 V448 D452 E457 A458 T459 | I422-N455 VanDerWaalsContact CG2-ND2 3.31Å; I422-N455 WeakPolarHBondContact CG2-ND2 3.44Å; V448-N455 HydrophobicContact CG1-CB 4.12Å; D452-N455 HydrophobicContact CB-CB 4.14Å; D452-N455 PolarHBondContact O-N 3.16Å; N455-E457 WeakPolarHBondContact OD1-CB 2.92Å; N455-E457 PolarHBondContact OD1-N 3.37Å; N455-A458 HydrophobicContact CB-CB 3.95Å; N455-A458 PolarHBondContact OD1-N 3.37Å; N455-T459 PolarHBondContact O-N 3.24Å; N455-T459 VanDerWaalsContact O-N 3.13Å; N455-T459 PolarHBondContact O-OG1 3.16Å | ||
| 456 | D | 90.1 | Very high | 89.6 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | -179 | -72.5 | -3.2 | 0 | 0 | 0 | 112.4 | N454 T459 L460 L482 R485 N486 | N454-D456 PolarHBondContact O-N 3.43Å; D456-T459 PolarHBondContact O-N 3.14Å; D456-L460 WeakPolarHBondContact O-CB 3.32Å; D456-L460 PolarHBondContact O-N 2.8Å; D456-L482 HydrophobicContact CB-CD1 3.66Å; D456-R485 IonicContact OD1-CZ 2.68Å; D456-R485 IonicContact OD1-NH2 3.73Å; D456-R485 PolarHBondContact OD1-NH2 2.88Å; D456-N486 WeakPolarHBondContact OD2-CB 3.34Å; D456-N486 PolarHBondContact OD2-ND2 3.2Å |
| 457 | E | 88.3 | Confident | 89.3 | Confident | 96 Ų | 96 | 45.7 Ų | 45.7 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.2 | -41.4 | -179 | -168.2 | 174.5 | 179.5 | 0 | 0 | 111.6 | L426 N455 T459 L460 M461 | L426-E457 HydrophobicContact CD1-CB 4.03Å; L426-E457 HydrophobicContact CD1-CG 4.06Å; L426-E457 WeakPolarHBondContact CD1-OE2 3.27Å; L426-E457 HydrophobicContact CD2-CB 4.44Å; L426-E457 HydrophobicContact CD2-CG 4.32Å; N455-E457 WeakPolarHBondContact OD1-CB 2.92Å; N455-E457 PolarHBondContact OD1-N 3.37Å; E457-T459 VanDerWaalsContact C-N 3.33Å; E457-T459 PolarHBondContact O-N 3.44Å; E457-L460 WeakPolarHBondContact O-CB 3.45Å; E457-L460 PolarHBondContact O-N 3.43Å; E457-M461 WeakPolarHBondContact O-CG 3.16Å; E457-M461 PolarHBondContact O-N 3.15Å |
| 458 | A | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L426 V448 M449 N455 L460 M461 L462 | L426-A458 HydrophobicContact CD2-CB 3.9Å; V448-A458 HydrophobicContact CB-CB 4.09Å; V448-A458 HydrophobicContact CG1-CB 3.69Å; M449-A458 HydrophobicContact CG-CB 4.25Å; N455-A458 HydrophobicContact CB-CB 3.95Å; N455-A458 PolarHBondContact OD1-N 3.37Å; A458-L460 VanDerWaalsContact C-N 3.35Å; A458-M461 PolarHBondContact O-N 3.42Å; A458-L462 WeakPolarHBondContact O-CB 3.26Å; A458-L462 PolarHBondContact O-N 3.36Å |
| 459 | T | 91.3 | Very high | 88.5 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | N455 D456 E457 L462 A463 L478 L482 | N455-T459 PolarHBondContact O-N 3.24Å; N455-T459 VanDerWaalsContact O-N 3.13Å; N455-T459 PolarHBondContact O-OG1 3.16Å; D456-T459 PolarHBondContact O-N 3.14Å; E457-T459 VanDerWaalsContact C-N 3.33Å; E457-T459 PolarHBondContact O-N 3.44Å; T459-L462 PolarHBondContact O-N 3.03Å; T459-A463 WeakPolarHBondContact O-CB 3.23Å; T459-A463 PolarHBondContact O-N 3.21Å; T459-L478 HydrophobicContact CG2-CD2 4.45Å; T459-L482 HydrophobicContact CG2-CB 4.13Å; T459-L482 HydrophobicContact CG2-CD1 4.47Å |
| 460 | L | 89.9 | Confident | 88 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.6 | -49.5 | 174.9 | -173.9 | 75.3 | 0 | 0 | 0 | 111.6 | D456 E457 A458 L462 A463 D464 F479 L482 H491 A492 | D456-L460 WeakPolarHBondContact O-CB 3.32Å; D456-L460 PolarHBondContact O-N 2.8Å; E457-L460 WeakPolarHBondContact O-CB 3.45Å; E457-L460 PolarHBondContact O-N 3.43Å; A458-L460 VanDerWaalsContact C-N 3.35Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 PolarHBondContact O-N 3.31Å; L460-A463 WeakPolarHBondContact O-CB 3.26Å; L460-A463 PolarHBondContact O-N 3.46Å; L460-A463 VanDerWaalsContact O-N 3.14Å; L460-D464 WeakPolarHBondContact O-CB 3.4Å; L460-D464 PolarHBondContact O-N 3.2Å; L460-F479 HydrophobicContact CD1-CD1 4.32Å; L460-F479 HydrophobicContact CD1-CE1 3.95Å; L460-L482 HydrophobicContact CB-CD2 3.89Å; L460-L482 HydrophobicContact CD1-CD2 3.89Å; L460-H491 HydrophobicContact CD1-CB 4.35Å; L460-H491 HydrophobicContact CD2-CB 3.79Å; L460-A492 HydrophobicContact CD1-CB 3.73Å |
| 461 | M | 88.2 | Confident | 87.8 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 177.1 | -74.5 | -176.9 | 169.4 | 0 | 0 | 112.3 | L426 A429 H430 E457 A458 D464 L465 | L426-M461 HydrophobicContact CD2-SD 3.91Å; L426-M461 WeakPolarHBondContact O-CE 3.41Å; A429-M461 HydrophobicContact CB-SD 3.85Å; H430-M461 HydrophobicContact CB-CE 3.55Å; E457-M461 WeakPolarHBondContact O-CG 3.16Å; E457-M461 PolarHBondContact O-N 3.15Å; A458-M461 PolarHBondContact O-N 3.42Å; M461-D464 PolarHBondContact O-N 3.42Å; M461-L465 VanDerWaalsContact O-CB 3.32Å; M461-L465 WeakPolarHBondContact O-CB 3.31Å; M461-L465 PolarHBondContact O-N 2.95Å |
| 462 | L | 91.3 | Very high | 87.4 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 175.6 | -169.1 | 70.3 | 0 | 0 | 0 | 111.4 | Y442 C445 M449 A458 T459 L460 L465 M466 L478 | Y442-L462 HydrophobicContact CD2-CD1 3.49Å; Y442-L462 VanDerWaalsContact CD2-CD1 3.49Å; Y442-L462 HydrophobicContact CE2-CD1 3.71Å; C445-L462 HydrophobicContact CB-CD1 4.3Å; M449-L462 HydrophobicContact SD-CD2 4.01Å; A458-L462 WeakPolarHBondContact O-CB 3.26Å; A458-L462 PolarHBondContact O-N 3.36Å; T459-L462 PolarHBondContact O-N 3.03Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 PolarHBondContact O-N 3.31Å; L462-L465 PolarHBondContact O-N 3.47Å; L462-M466 HydrophobicContact CD1-CE 4.2Å; L462-M466 HydrophobicContact CG-CE 4.46Å; L462-M466 VanDerWaalsContact O-CG 3.29Å; L462-M466 WeakPolarHBondContact O-CG 3.43Å; L462-M466 PolarHBondContact O-N 3.33Å; L462-L478 HydrophobicContact CB-CD1 4.32Å; L462-L478 HydrophobicContact CD2-CD1 3.9Å; L462-L478 HydrophobicContact CD2-CD2 4.16Å; L462-L478 HydrophobicContact CG-CD1 3.87Å |
| 463 | A | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T459 L460 L465 M466 Y467 A475 L478 F479 | T459-A463 WeakPolarHBondContact O-CB 3.23Å; T459-A463 PolarHBondContact O-N 3.21Å; L460-A463 WeakPolarHBondContact O-CB 3.26Å; L460-A463 PolarHBondContact O-N 3.46Å; L460-A463 VanDerWaalsContact O-N 3.14Å; A463-L465 VanDerWaalsContact C-N 3.34Å; A463-L465 PolarHBondContact O-N 3.11Å; A463-M466 PolarHBondContact O-N 3.05Å; A463-Y467 WeakPolarHBondContact O-CB 3.29Å; A463-Y467 PolarHBondContact O-N 3.19Å; A463-A475 WeakPolarHBondContact O-CB 3.42Å; A463-L478 HydrophobicContact CB-CB 3.73Å; A463-L478 HydrophobicContact CB-CD1 4.26Å; A463-F479 HydrophobicContact CB-CD1 3.59Å; A463-F479 HydrophobicContact CB-CD2 4.12Å; A463-F479 HydrophobicContact CB-CE1 3.34Å; A463-F479 HydrophobicContact CB-CE2 3.9Å; A463-F479 HydrophobicContact CB-CG 3.96Å; A463-F479 HydrophobicContact CB-CZ 3.5Å; A463-F479 VanDerWaalsContact CB-CZ 3.5Å |
| 464 | D | 87.3 | Confident | 87.4 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.08 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 174.6 | -81 | -11 | 0 | 0 | 0 | 111.7 | L433 L460 M461 Y467 Q468 F479 R495 F659 | L433-D464 HydrophobicContact CD2-CB 4.13Å; L460-D464 WeakPolarHBondContact O-CB 3.4Å; L460-D464 PolarHBondContact O-N 3.2Å; M461-D464 PolarHBondContact O-N 3.42Å; D464-Y467 WeakPolarHBondContact O-CB 3.18Å; D464-Y467 PolarHBondContact O-N 3.15Å; D464-Q468 PolarHBondContact O-N 3.18Å; D464-F479 WeakPolarHBondContact OD1-CZ 3.39Å; D464-R495 IonicContact OD1-NE 2.96Å; D464-R495 PolarHBondContact OD1-NE 3.41Å; D464-F659 HydrophobicContact CB-CD2 4.19Å; D464-F659 HydrophobicContact CB-CE2 3.51Å; D464-F659 HydrophobicContact CB-CZ 4.3Å; D464-F659 VanDerWaalsContact OD1-CE2 3.31Å; D464-F659 WeakPolarHBondContact OD1-CE2 3.44Å; D464-F659 WeakPolarHBondContact OD1-CZ 3.31Å |
| 465 | L | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 173.7 | 179.4 | 158.9 | 0 | 0 | 0 | 112.3 | L433 L438 C441 Y442 M461 L462 A463 Y467 Q468 K469 | L433-L465 HydrophobicContact CD1-CB 3.88Å; L438-L465 VanDerWaalsContact O-CD1 3.28Å; L438-L465 WeakPolarHBondContact O-CD1 3.19Å; C441-L465 HydrophobicContact CB-CD1 3.78Å; Y442-L465 HydrophobicContact CD2-CD2 4.32Å; M461-L465 VanDerWaalsContact O-CB 3.32Å; M461-L465 WeakPolarHBondContact O-CB 3.31Å; M461-L465 PolarHBondContact O-N 2.95Å; L462-L465 PolarHBondContact O-N 3.47Å; A463-L465 VanDerWaalsContact C-N 3.34Å; A463-L465 PolarHBondContact O-N 3.11Å; L465-Y467 PolarHBondContact O-N 3.27Å; L465-Q468 PolarHBondContact O-N 2.93Å; L465-K469 HydrophobicContact CD2-CD 3.8Å; L465-K469 HydrophobicContact CD2-CG 4.2Å; L465-K469 PolarHBondContact O-N 3.03Å |
| 466 | M | 88.8 | Confident | 87.3 | Confident | 21 Ų | 21 | 40 Ų | 40 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -35.6 | 176.6 | -67.6 | -54.3 | 174.8 | 0 | 0 | 111.3 | Y442 L462 A463 K469 N470 E471 A475 L478 | Y442-M466 HydrophobicContact CD2-CE 4.05Å; Y442-M466 HydrophobicContact CE2-CE 3.52Å; L462-M466 HydrophobicContact CD1-CE 4.2Å; L462-M466 HydrophobicContact CG-CE 4.46Å; L462-M466 VanDerWaalsContact O-CG 3.29Å; L462-M466 WeakPolarHBondContact O-CG 3.43Å; L462-M466 PolarHBondContact O-N 3.33Å; A463-M466 PolarHBondContact O-N 3.05Å; M466-K469 PolarHBondContact O-N 3.14Å; M466-N470 PolarHBondContact O-N 3.5Å; M466-E471 HydrophobicContact CB-CB 4.5Å; M466-E471 PolarHBondContact O-N 2.83Å; M466-A475 HydrophobicContact CB-CB 3.86Å; M466-L478 HydrophobicContact CG-CD1 3.99Å |
| 467 | Y | 84.7 | Confident | 87.2 | Confident | 44 Ų | 44 | 43 Ų | 43 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 173 | -168.4 | -82.1 | 0 | 0 | 0 | 111.3 | A463 D464 L465 K469 N470 M472 W657 F659 H695 | A463-Y467 WeakPolarHBondContact O-CB 3.29Å; A463-Y467 PolarHBondContact O-N 3.19Å; D464-Y467 WeakPolarHBondContact O-CB 3.18Å; D464-Y467 PolarHBondContact O-N 3.15Å; L465-Y467 PolarHBondContact O-N 3.27Å; Y467-K469 VanDerWaalsContact C-N 3.33Å; Y467-K469 PolarHBondContact O-N 3.45Å; Y467-N470 PolarHBondContact O-N 3.34Å; Y467-M472 HydrophobicContact CD2-CE 4.41Å; Y467-M472 HydrophobicContact CD2-SD 3.64Å; Y467-M472 HydrophobicContact CE2-CE 3.69Å; Y467-M472 HydrophobicContact CE2-SD 3.51Å; Y467-M472 VanDerWaalsContact CE2-SD 3.51Å; Y467-M472 HydrophobicContact CG-SD 4.35Å; Y467-W657 AromaticContact CD1-CH2 3.53Å; Y467-W657 HydrophobicContact CD1-CH2 3.53Å; Y467-W657 HydrophobicContact CD1-CZ2 4.48Å; Y467-W657 AromaticContact CD1-CZ3 3.85Å; Y467-W657 HydrophobicContact CD1-CZ3 3.85Å; Y467-W657 AromaticContact CE1-CH2 3.36Å; Y467-W657 HydrophobicContact CE1-CH2 3.36Å; Y467-W657 AromaticContact CE1-CZ2 3.91Å; Y467-W657 HydrophobicContact CE1-CZ2 3.91Å; Y467-W657 HydrophobicContact CE1-CZ3 4.09Å; Y467-F659 HydrophobicContact CD1-CE1 4.17Å; Y467-F659 AromaticContact CD1-CZ 3.7Å; Y467-F659 HydrophobicContact CD1-CZ 3.7Å; Y467-F659 HydrophobicContact CE1-CE1 4.34Å; Y467-F659 HydrophobicContact CE1-CZ 4.32Å; Y467-F659 AromaticContact CG-CZ 3.99Å; Y467-F659 HydrophobicContact CG-CZ 3.99Å; Y467-H695 PolarHBondContact OH-O 2.78Å |
| 468 | Q | 82.3 | Confident | 87.3 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 174.8 | -78.9 | -176.6 | -30.3 | 0 | 0 | 112.9 | L438 D464 L465 N470 W657 | L438-Q468 HydrophobicContact CD2-CB 4.42Å; L438-Q468 VanDerWaalsContact CD2-OE1 3.27Å; D464-Q468 PolarHBondContact O-N 3.18Å; L465-Q468 PolarHBondContact O-N 2.93Å; Q468-N470 PolarHBondContact O-N 2.91Å; Q468-N470 VanDerWaalsContact O-N 3.15Å; Q468-W657 HydrophobicContact CG-CE3 3.76Å; Q468-W657 HydrophobicContact CG-CZ3 3.63Å; Q468-W657 PolarHBondContact NE2-O 3.22Å |
| 469 | K | 85.1 | Confident | 87.1 | Confident | 75 Ų | 75 | 40.2 Ų | 40.2 | 33% | 0.326 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 2.6 | 174.1 | -73.5 | -168.1 | 176.1 | -176 | 0 | 113.9 | L438 E439 L465 M466 Y467 E471 | L438-K469 HydrophobicContact CD1-CG 3.87Å; E439-K469 IonicContact OE2-NZ 2.78Å; E439-K469 PolarHBondContact OE2-NZ 3.34Å; L465-K469 HydrophobicContact CD2-CD 3.8Å; L465-K469 HydrophobicContact CD2-CG 4.2Å; L465-K469 PolarHBondContact O-N 3.03Å; M466-K469 PolarHBondContact O-N 3.14Å; Y467-K469 VanDerWaalsContact C-N 3.33Å; Y467-K469 PolarHBondContact O-N 3.45Å; K469-E471 HydrophobicContact CB-CG 4.43Å; K469-E471 PolarHBondContact O-N 2.98Å |
| 470 | N | 80 | Confident | 86.7 | Confident | 72 Ų | 72 | 43.2 Ų | 43.2 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 14.9 | -176.3 | -94.6 | 28.2 | 0 | 0 | 0 | 114.8 | M466 Y467 Q468 M472 K694 | M466-N470 PolarHBondContact O-N 3.5Å; Y467-N470 PolarHBondContact O-N 3.34Å; Q468-N470 PolarHBondContact O-N 2.91Å; Q468-N470 VanDerWaalsContact O-N 3.15Å; N470-M472 VanDerWaalsContact C-N 3.27Å; N470-M472 PolarHBondContact O-N 3.32Å; N470-M472 VanDerWaalsContact O-N 3.08Å; N470-K694 WeakPolarHBondContact ND2-CE 3.01Å |
| 471 | E | 86.4 | Confident | 86.6 | Confident | 92 Ų | 92 | 44.5 Ų | 44.5 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | trans | -86.6 | 67 | 175.1 | -61.4 | -173.4 | -171.5 | 0 | 0 | 110.4 | M466 K469 N473 T474 A475 | M466-E471 HydrophobicContact CB-CB 4.5Å; M466-E471 PolarHBondContact O-N 2.83Å; K469-E471 HydrophobicContact CB-CG 4.43Å; K469-E471 PolarHBondContact O-N 2.98Å; E471-N473 VanDerWaalsContact C-N 3.3Å; E471-N473 PolarHBondContact O-N 3.08Å; E471-T474 WeakPolarHBondContact CB-OG1 3.3Å; E471-T474 PolarHBondContact O-N 3.45Å; E471-T474 PolarHBondContact O-OG1 2.87Å; E471-T474 PolarHBondContact OE2-OG1 3.26Å; E471-A475 PolarHBondContact O-N 3.16Å | ||
| 472 | M | 82.2 | Confident | 86.5 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 30% | 0.3 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.3 | -39 | -171.5 | -67.6 | -64.8 | -132.8 | 0 | 0 | 113.8 | Y467 N470 A475 L476 | Y467-M472 HydrophobicContact CD2-CE 4.41Å; Y467-M472 HydrophobicContact CD2-SD 3.64Å; Y467-M472 HydrophobicContact CE2-CE 3.69Å; Y467-M472 HydrophobicContact CE2-SD 3.51Å; Y467-M472 VanDerWaalsContact CE2-SD 3.51Å; Y467-M472 HydrophobicContact CG-SD 4.35Å; N470-M472 VanDerWaalsContact C-N 3.27Å; N470-M472 PolarHBondContact O-N 3.32Å; N470-M472 VanDerWaalsContact O-N 3.08Å; M472-A475 PolarHBondContact O-N 3.05Å; M472-L476 WeakPolarHBondContact O-CB 3.44Å; M472-L476 WeakPolarHBondContact O-CG 3.34Å; M472-L476 PolarHBondContact O-N 3.22Å |
| 473 | N | 86 | Confident | 86.2 | Confident | 125 Ų | 125 | 43.7 Ų | 43.7 | 67% | 0.668 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67 | -44.1 | -177.7 | -66.5 | -24.3 | 0 | 0 | 0 | 111.6 | E471 L476 D477 | E471-N473 VanDerWaalsContact C-N 3.3Å; E471-N473 PolarHBondContact O-N 3.08Å; N473-L476 PolarHBondContact O-N 3.41Å; N473-D477 VanDerWaalsContact O-CG 3.29Å; N473-D477 PolarHBondContact O-N 3.07Å |
| 474 | T | 88.7 | Confident | 86 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | E471 D477 L478 | E471-T474 WeakPolarHBondContact CB-OG1 3.3Å; E471-T474 PolarHBondContact O-N 3.45Å; E471-T474 PolarHBondContact O-OG1 2.87Å; E471-T474 PolarHBondContact OE2-OG1 3.26Å; T474-D477 PolarHBondContact O-N 2.78Å; T474-L478 WeakPolarHBondContact O-CG 3.42Å; T474-L478 PolarHBondContact O-N 3.23Å |
| 475 | A | 88.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A463 M466 E471 M472 D477 L478 F479 | A463-A475 WeakPolarHBondContact O-CB 3.42Å; M466-A475 HydrophobicContact CB-CB 3.86Å; E471-A475 PolarHBondContact O-N 3.16Å; M472-A475 PolarHBondContact O-N 3.05Å; A475-D477 PolarHBondContact O-N 2.88Å; A475-L478 PolarHBondContact O-N 3.24Å; A475-F479 HydrophobicContact CB-CD2 4.46Å; A475-F479 HydrophobicContact CB-CE2 4.13Å; A475-F479 WeakPolarHBondContact O-CD2 3.32Å; A475-F479 WeakPolarHBondContact O-CG 3.33Å; A475-F479 PolarHBondContact O-N 2.84Å |
| 476 | L | 85.1 | Confident | 85.6 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.335 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 178.4 | -75.9 | 172.9 | 0 | 0 | 0 | 112.5 | M472 N473 F479 K480 V496 | M472-L476 WeakPolarHBondContact O-CB 3.44Å; M472-L476 WeakPolarHBondContact O-CG 3.34Å; M472-L476 PolarHBondContact O-N 3.22Å; N473-L476 PolarHBondContact O-N 3.41Å; L476-F479 PolarHBondContact O-N 3.49Å; L476-K480 WeakPolarHBondContact O-CB 3.44Å; L476-K480 VanDerWaalsContact O-CG 3.24Å; L476-K480 WeakPolarHBondContact O-CG 3.45Å; L476-K480 PolarHBondContact O-N 2.88Å; L476-V496 HydrophobicContact CD2-CG1 3.87Å; L476-V496 HydrophobicContact CD2-CG2 4.07Å |
| 477 | D | 88.2 | Confident | 85.2 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 177.6 | -68.4 | -22.5 | 0 | 0 | 0 | 111.3 | N473 T474 A475 K480 S481 | N473-D477 VanDerWaalsContact O-CG 3.29Å; N473-D477 PolarHBondContact O-N 3.07Å; T474-D477 PolarHBondContact O-N 2.78Å; A475-D477 PolarHBondContact O-N 2.88Å; D477-K480 PolarHBondContact O-N 3.01Å; D477-S481 WeakPolarHBondContact O-CB 3.27Å; D477-S481 PolarHBondContact O-N 3.02Å; D477-S481 PolarHBondContact O-OG 2.88Å |
| 478 | L | 89.4 | Confident | 85 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 173.6 | -71.8 | 170.8 | 0 | 0 | 0 | 111.6 | T459 L462 A463 M466 T474 A475 K480 S481 L482 | T459-L478 HydrophobicContact CG2-CD2 4.45Å; L462-L478 HydrophobicContact CB-CD1 4.32Å; L462-L478 HydrophobicContact CD2-CD1 3.9Å; L462-L478 HydrophobicContact CD2-CD2 4.16Å; L462-L478 HydrophobicContact CG-CD1 3.87Å; A463-L478 HydrophobicContact CB-CB 3.73Å; A463-L478 HydrophobicContact CB-CD1 4.26Å; M466-L478 HydrophobicContact CG-CD1 3.99Å; T474-L478 WeakPolarHBondContact O-CG 3.42Å; T474-L478 PolarHBondContact O-N 3.23Å; A475-L478 PolarHBondContact O-N 3.24Å; L478-K480 VanDerWaalsContact C-N 3.35Å; L478-K480 PolarHBondContact O-N 3.06Å; L478-S481 PolarHBondContact O-N 3.18Å; L478-S481 PolarHBondContact O-OG 3.45Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 3.43Å |
| 479 | F | 87 | Confident | 85.1 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.3 | -70.6 | -55.7 | 0 | 0 | 0 | 112.6 | L460 A463 D464 A475 L476 L482 L483 A492 R495 V496 | L460-F479 HydrophobicContact CD1-CD1 4.32Å; L460-F479 HydrophobicContact CD1-CE1 3.95Å; A463-F479 HydrophobicContact CB-CD1 3.59Å; A463-F479 HydrophobicContact CB-CD2 4.12Å; A463-F479 HydrophobicContact CB-CE1 3.34Å; A463-F479 HydrophobicContact CB-CE2 3.9Å; A463-F479 HydrophobicContact CB-CG 3.96Å; A463-F479 HydrophobicContact CB-CZ 3.5Å; A463-F479 VanDerWaalsContact CB-CZ 3.5Å; D464-F479 WeakPolarHBondContact OD1-CZ 3.39Å; A475-F479 HydrophobicContact CB-CD2 4.46Å; A475-F479 HydrophobicContact CB-CE2 4.13Å; A475-F479 WeakPolarHBondContact O-CD2 3.32Å; A475-F479 WeakPolarHBondContact O-CG 3.33Å; A475-F479 PolarHBondContact O-N 2.84Å; L476-F479 PolarHBondContact O-N 3.49Å; F479-L482 PolarHBondContact O-N 2.9Å; F479-L483 WeakPolarHBondContact O-CB 3.12Å; F479-L483 VanDerWaalsContact O-CG 3.3Å; F479-L483 WeakPolarHBondContact O-CG 3.05Å; F479-L483 PolarHBondContact O-N 3.16Å; F479-A492 HydrophobicContact CD1-CB 4.05Å; F479-R495 HydrophobicContact CD1-CB 4.37Å; F479-R495 HydrophobicContact CD2-CB 4.34Å; F479-R495 HydrophobicContact CE1-CB 3.94Å; F479-R495 HydrophobicContact CE1-CG 3.81Å; F479-R495 HydrophobicContact CE2-CB 3.92Å; F479-R495 HydrophobicContact CE2-CG 4.4Å; F479-R495 HydrophobicContact CZ-CB 3.72Å; F479-R495 HydrophobicContact CZ-CG 3.71Å; F479-V496 HydrophobicContact CB-CG2 3.35Å; F479-V496 HydrophobicContact CD1-CG2 4.47Å; F479-V496 HydrophobicContact CD2-CG2 3.57Å; F479-V496 HydrophobicContact CE2-CG2 4.5Å; F479-V496 HydrophobicContact CG-CG2 3.58Å |
| 480 | K | 84.8 | Confident | 85 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 30% | 0.296 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | 175.3 | -75.9 | 171 | -175.9 | 171.7 | 0 | 110.9 | L476 D477 L478 L482 L483 E484 | L476-K480 WeakPolarHBondContact O-CB 3.44Å; L476-K480 VanDerWaalsContact O-CG 3.24Å; L476-K480 WeakPolarHBondContact O-CG 3.45Å; L476-K480 PolarHBondContact O-N 2.88Å; D477-K480 PolarHBondContact O-N 3.01Å; L478-K480 VanDerWaalsContact C-N 3.35Å; L478-K480 PolarHBondContact O-N 3.06Å; K480-L482 PolarHBondContact O-N 3.28Å; K480-L483 PolarHBondContact O-N 3.06Å; K480-E484 WeakPolarHBondContact O-CB 3.36Å; K480-E484 WeakPolarHBondContact O-CG 3.5Å; K480-E484 PolarHBondContact O-N 3.23Å |
| 481 | S | 86.7 | Confident | 85.2 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.1 | -36.1 | 178.1 | 76.6 | 0 | 0 | 0 | 0 | 112.4 | D477 L478 R485 | D477-S481 WeakPolarHBondContact O-CB 3.27Å; D477-S481 PolarHBondContact O-N 3.02Å; D477-S481 PolarHBondContact O-OG 2.88Å; L478-S481 PolarHBondContact O-N 3.18Å; L478-S481 PolarHBondContact O-OG 3.45Å; S481-R485 VanDerWaalsContact O-CG 3.31Å; S481-R485 WeakPolarHBondContact O-CG 3.39Å; S481-R485 PolarHBondContact O-N 3.48Å |
| 482 | L | 87.1 | Confident | 85 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.7 | -45 | 176 | 179.6 | 58.5 | 0 | 0 | 0 | 111.7 | D456 T459 L460 L478 F479 K480 R485 N486 Q489 A492 | D456-L482 HydrophobicContact CB-CD1 3.66Å; T459-L482 HydrophobicContact CG2-CB 4.13Å; T459-L482 HydrophobicContact CG2-CD1 4.47Å; L460-L482 HydrophobicContact CB-CD2 3.89Å; L460-L482 HydrophobicContact CD1-CD2 3.89Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 3.43Å; F479-L482 PolarHBondContact O-N 2.9Å; K480-L482 PolarHBondContact O-N 3.28Å; L482-R485 PolarHBondContact O-N 3.28Å; L482-N486 PolarHBondContact O-N 3.01Å; L482-Q489 HydrophobicContact CD2-CG 4.13Å; L482-Q489 HydrophobicContact CG-CG 4.3Å; L482-A492 HydrophobicContact CD2-CB 3.77Å; L482-A492 HydrophobicContact CG-CB 4.32Å |
| 483 | L | 83.9 | Confident | 85 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.1 | -30.4 | 179.4 | -72 | 172 | 0 | 0 | 0 | 113.1 | F479 K480 R485 N486 P487 A492 L493 | F479-L483 WeakPolarHBondContact O-CB 3.12Å; F479-L483 VanDerWaalsContact O-CG 3.3Å; F479-L483 WeakPolarHBondContact O-CG 3.05Å; F479-L483 PolarHBondContact O-N 3.16Å; K480-L483 PolarHBondContact O-N 3.06Å; L483-R485 VanDerWaalsContact C-N 3.31Å; L483-N486 CarbonylContact O-C 3.5Å; L483-P487 WeakPolarHBondContact O-CA 3.35Å; L483-A492 HydrophobicContact CD2-CB 3.94Å; L483-A492 HydrophobicContact CG-CB 4.06Å; L483-L493 HydrophobicContact CD2-CB 4.2Å |
| 484 | E | 84.3 | Confident | 84.8 | Confident | 158 Ų | 158 | 48.2 Ų | 48.2 | 74% | 0.738 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.1 | -37.2 | 171.6 | -76.9 | 174.4 | -175.8 | 0 | 0 | 111.6 | K480 | K480-E484 WeakPolarHBondContact O-CB 3.36Å; K480-E484 WeakPolarHBondContact O-CG 3.5Å; K480-E484 PolarHBondContact O-N 3.23Å |
| 485 | R | 84.5 | Confident | 84.2 | Confident | 108 Ų | 108 | 49 Ų | 49 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.8 | -43.6 | 177.9 | -71.4 | 176.3 | 54.5 | -149.4 | -26.3 | 112.8 | N454 D456 S481 L482 L483 | N454-R485 VanDerWaalsContact C-NH2 3.29Å; N454-R485 VanDerWaalsContact CA-NH2 3.27Å; N454-R485 VanDerWaalsContact CB-NH2 3.27Å; N454-R485 PolarHBondContact O-NH2 2.98Å; D456-R485 IonicContact OD1-CZ 2.68Å; D456-R485 IonicContact OD1-NH2 3.73Å; D456-R485 PolarHBondContact OD1-NH2 2.88Å; S481-R485 VanDerWaalsContact O-CG 3.31Å; S481-R485 WeakPolarHBondContact O-CG 3.39Å; S481-R485 PolarHBondContact O-N 3.48Å; L482-R485 PolarHBondContact O-N 3.28Å; L483-R485 VanDerWaalsContact C-N 3.31Å |
| 486 | N | 83.6 | Confident | 83.6 | Confident | 44 Ų | 44 | 49.4 Ų | 49.4 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | trans | -131.7 | 88.5 | -178.7 | -172.5 | -5 | 0 | 0 | 0 | 110.8 | D456 L482 L483 N488 Q489 | D456-N486 WeakPolarHBondContact OD2-CB 3.34Å; D456-N486 PolarHBondContact OD2-ND2 3.2Å; L482-N486 PolarHBondContact O-N 3.01Å; L483-N486 CarbonylContact O-C 3.5Å; N486-N488 PolarHBondContact O-N 2.85Å; N486-N488 VanDerWaalsContact O-N 3.08Å; N486-N488 PolarHBondContact OD1-N 3.4Å; N486-Q489 HydrophobicContact CB-CB 4.36Å; N486-Q489 WeakPolarHBondContact O-CB 3.46Å; N486-Q489 PolarHBondContact O-N 2.98Å; N486-Q489 VanDerWaalsContact O-N 3.12Å | ||
| 487 | P | 80.5 | Confident | 82.7 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.3 | 178.9 | -23.6 | 34.4 | 0 | 0 | 0 | 114.8 | L483 N504 | L483-P487 WeakPolarHBondContact O-CA 3.35Å; P487-N504 PolarHBondContact O-ND2 3.13Å |
| 488 | N | 80.1 | Confident | 81.1 | Confident | 84 Ų | 84 | 49.9 Ų | 49.9 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 6.1 | 179.6 | -67 | -6.3 | 0 | 0 | 0 | 112.4 | N486 Y490 N504 | N486-N488 PolarHBondContact O-N 2.85Å; N486-N488 VanDerWaalsContact O-N 3.08Å; N486-N488 PolarHBondContact OD1-N 3.4Å; N488-Y490 VanDerWaalsContact C-N 3.3Å; N488-Y490 HydrophobicContact CB-CE2 4.49Å; N488-Y490 WeakPolarHBondContact O-CD2 3.46Å; N488-Y490 VanDerWaalsContact O-CE2 3.29Å; N488-Y490 WeakPolarHBondContact O-CE2 3.11Å; N488-Y490 PolarHBondContact O-N 3.21Å; N488-N504 PolarHBondContact OD1-ND2 2.98Å |
| 489 | Q | 84.7 | Confident | 79.1 | Confident | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | trans | -77.6 | 79.6 | 174.7 | -168.8 | 60.4 | 18.3 | 0 | 0 | 111 | L482 N486 H491 A492 L493 | L482-Q489 HydrophobicContact CD2-CG 4.13Å; L482-Q489 HydrophobicContact CG-CG 4.3Å; N486-Q489 HydrophobicContact CB-CB 4.36Å; N486-Q489 WeakPolarHBondContact O-CB 3.46Å; N486-Q489 PolarHBondContact O-N 2.98Å; N486-Q489 VanDerWaalsContact O-N 3.12Å; Q489-H491 VanDerWaalsContact C-N 3.26Å; Q489-H491 PolarHBondContact O-N 2.99Å; Q489-A492 HydrophobicContact CB-CB 4.4Å; Q489-A492 HydrophobicContact CG-CB 3.98Å; Q489-A492 PolarHBondContact O-N 3.06Å; Q489-A492 VanDerWaalsContact O-N 3.13Å; Q489-L493 PolarHBondContact O-N 2.93Å; Q489-L493 VanDerWaalsContact O-N 3.1Å | ||
| 490 | Y | 84.2 | Confident | 77.4 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -26.1 | -173.7 | -55.4 | -64.4 | 0 | 0 | 0 | 114 | N488 L493 L494 D510 F513 C516 | N488-Y490 VanDerWaalsContact C-N 3.3Å; N488-Y490 HydrophobicContact CB-CE2 4.49Å; N488-Y490 WeakPolarHBondContact O-CD2 3.46Å; N488-Y490 VanDerWaalsContact O-CE2 3.29Å; N488-Y490 WeakPolarHBondContact O-CE2 3.11Å; N488-Y490 PolarHBondContact O-N 3.21Å; Y490-L493 HydrophobicContact CD1-CD2 3.98Å; Y490-L493 WeakPolarHBondContact O-CB 3.43Å; Y490-L493 PolarHBondContact O-N 2.79Å; Y490-L494 WeakPolarHBondContact O-CB 3.43Å; Y490-L494 PolarHBondContact O-N 3.48Å; Y490-D510 HydrophobicContact CE2-CB 4.44Å; Y490-D510 WeakPolarHBondContact OH-CB 3.46Å; Y490-D510 VanDerWaalsContact OH-CG 3.24Å; Y490-D510 PolarHBondContact OH-OD2 3.46Å; Y490-F513 HydrophobicContact CD1-CB 4.34Å; Y490-F513 HydrophobicContact CE1-CB 3.74Å; Y490-C516 PolarHBondContact O-SG 3.03Å; Y490-C516 VanDerWaalsContact O-SG 3.34Å |
| 491 | H | 83.3 | Confident | 75.9 | Confident | 88 Ų | 88 | 53.8 Ų | 53.8 | 41% | 0.407 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 172.7 | -67.4 | -74.3 | 0 | 0 | 0 | 112 | L460 Q489 L494 W543 | L460-H491 HydrophobicContact CD1-CB 4.35Å; L460-H491 HydrophobicContact CD2-CB 3.79Å; Q489-H491 VanDerWaalsContact C-N 3.26Å; Q489-H491 PolarHBondContact O-N 2.99Å; H491-L494 PolarHBondContact O-N 3.38Å; H491-W543 AromaticContact CE1-CH2 3.53Å; H491-W543 AromaticContact CE1-CZ2 3.83Å; H491-W543 AromaticContact ND1-CH2 3.63Å; H491-W543 AromaticContact NE2-CH2 3.9Å; H491-W543 AromaticContact NE2-CZ2 3.73Å |
| 492 | A | 83.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L460 F479 L482 L483 Q489 L494 R495 V496 | L460-A492 HydrophobicContact CD1-CB 3.73Å; F479-A492 HydrophobicContact CD1-CB 4.05Å; L482-A492 HydrophobicContact CD2-CB 3.77Å; L482-A492 HydrophobicContact CG-CB 4.32Å; L483-A492 HydrophobicContact CD2-CB 3.94Å; L483-A492 HydrophobicContact CG-CB 4.06Å; Q489-A492 HydrophobicContact CB-CB 4.4Å; Q489-A492 HydrophobicContact CG-CB 3.98Å; Q489-A492 PolarHBondContact O-N 3.06Å; Q489-A492 VanDerWaalsContact O-N 3.13Å; A492-L494 VanDerWaalsContact C-N 3.29Å; A492-L494 PolarHBondContact O-N 3.35Å; A492-R495 WeakPolarHBondContact O-CB 3.42Å; A492-R495 PolarHBondContact O-N 3.35Å; A492-V496 PolarHBondContact O-N 2.86Å |
| 493 | L | 81.7 | Confident | 72.4 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 177.9 | -173.8 | 66 | 0 | 0 | 0 | 111.8 | L483 Q489 Y490 R495 V496 M497 S500 F513 C516 | L483-L493 HydrophobicContact CD2-CB 4.2Å; Q489-L493 PolarHBondContact O-N 2.93Å; Q489-L493 VanDerWaalsContact O-N 3.1Å; Y490-L493 HydrophobicContact CD1-CD2 3.98Å; Y490-L493 WeakPolarHBondContact O-CB 3.43Å; Y490-L493 PolarHBondContact O-N 2.79Å; L493-R495 PolarHBondContact O-N 3.04Å; L493-V496 PolarHBondContact O-N 3.29Å; L493-M497 WeakPolarHBondContact O-CG 3.01Å; L493-M497 PolarHBondContact O-N 3.37Å; L493-S500 WeakPolarHBondContact CD1-OG 3.44Å; L493-F513 HydrophobicContact CD2-CD2 4.39Å; L493-C516 HydrophobicContact CD2-CB 3.95Å; L493-C516 HydrophobicContact CG-CB 4.28Å |
| 494 | L | 81.1 | Confident | 71 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -25.8 | 177.4 | -165.4 | 72.9 | 0 | 0 | 0 | 112.7 | Y490 H491 A492 M497 Y515 F519 | Y490-L494 WeakPolarHBondContact O-CB 3.43Å; Y490-L494 PolarHBondContact O-N 3.48Å; H491-L494 PolarHBondContact O-N 3.38Å; A492-L494 VanDerWaalsContact C-N 3.29Å; A492-L494 PolarHBondContact O-N 3.35Å; L494-M497 HydrophobicContact CD1-CE 4.31Å; L494-M497 HydrophobicContact CD1-SD 3.88Å; L494-M497 WeakPolarHBondContact O-CE 3.34Å; L494-M497 WeakPolarHBondContact O-CG 3.22Å; L494-Y515 HydrophobicContact CD1-CD1 4.15Å; L494-Y515 HydrophobicContact CD1-CE1 3.84Å; L494-Y515 HydrophobicContact CD2-CE1 3.96Å; L494-F519 HydrophobicContact CD1-CB 3.88Å; L494-F519 HydrophobicContact CD1-CD1 3.97Å; L494-F519 HydrophobicContact CD1-CD2 4.42Å; L494-F519 HydrophobicContact CD1-CG 3.84Å |
| 495 | R | 77.6 | Confident | 69.7 | Low | 75 Ų | 75 | 65.5 Ų | 65.5 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -81.8 | -32.5 | 177.4 | -57.3 | -60.5 | -177.4 | -122 | -3.2 | 113.2 | D464 F479 A492 L493 F659 | D464-R495 IonicContact OD1-NE 2.96Å; D464-R495 PolarHBondContact OD1-NE 3.41Å; F479-R495 HydrophobicContact CD1-CB 4.37Å; F479-R495 HydrophobicContact CD2-CB 4.34Å; F479-R495 HydrophobicContact CE1-CB 3.94Å; F479-R495 HydrophobicContact CE1-CG 3.81Å; F479-R495 HydrophobicContact CE2-CB 3.92Å; F479-R495 HydrophobicContact CE2-CG 4.4Å; F479-R495 HydrophobicContact CZ-CB 3.72Å; F479-R495 HydrophobicContact CZ-CG 3.71Å; A492-R495 WeakPolarHBondContact O-CB 3.42Å; A492-R495 PolarHBondContact O-N 3.35Å; L493-R495 PolarHBondContact O-N 3.04Å; R495-F659 VanDerWaalsContact NH2-CB 3.29Å; R495-F659 VanDerWaalsContact NH2-CD1 3.34Å |
| 496 | V | 75.8 | Confident | 68.4 | Low | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -112.8 | 29.9 | -171.5 | -167.2 | 0 | 0 | 0 | 0 | 112.4 | L476 F479 A492 L493 E498 F499 S500 | L476-V496 HydrophobicContact CD2-CG1 3.87Å; L476-V496 HydrophobicContact CD2-CG2 4.07Å; F479-V496 HydrophobicContact CB-CG2 3.35Å; F479-V496 HydrophobicContact CD1-CG2 4.47Å; F479-V496 HydrophobicContact CD2-CG2 3.57Å; F479-V496 HydrophobicContact CE2-CG2 4.5Å; F479-V496 HydrophobicContact CG-CG2 3.58Å; A492-V496 PolarHBondContact O-N 2.86Å; L493-V496 PolarHBondContact O-N 3.29Å; V496-E498 PolarHBondContact O-N 3.48Å; V496-F499 HydrophobicContact CG1-CB 3.86Å; V496-F499 PolarHBondContact O-N 3.13Å; V496-S500 PolarHBondContact O-OG 2.89Å |
| 497 | M | 64.5 | Low | 67.6 | Low | 27 Ų | 27 | 70.1 Ų | 70.1 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.2 | -22.1 | -167.5 | -70.4 | -178.3 | -73 | 0 | 0 | 115.5 | L493 L494 F499 F519 Y520 | L493-M497 WeakPolarHBondContact O-CG 3.01Å; L493-M497 PolarHBondContact O-N 3.37Å; L494-M497 HydrophobicContact CD1-CE 4.31Å; L494-M497 HydrophobicContact CD1-SD 3.88Å; L494-M497 WeakPolarHBondContact O-CE 3.34Å; L494-M497 WeakPolarHBondContact O-CG 3.22Å; M497-F499 VanDerWaalsContact C-N 3.31Å; M497-F499 PolarHBondContact O-N 3.48Å; M497-F519 HydrophobicContact CE-CD1 3.25Å; M497-F519 HydrophobicContact CE-CE1 3.49Å; M497-F519 VanDerWaalsContact CE-CE1 3.49Å; M497-F519 HydrophobicContact CE-CG 4.43Å; M497-F519 HydrophobicContact SD-CB 4.39Å; M497-F519 HydrophobicContact SD-CD1 3.72Å; M497-F519 HydrophobicContact SD-CG 4.49Å; M497-Y520 HydrophobicContact CB-CD2 3.97Å |
| 498 | E | 54.5 | Low | 66.9 | Low | 146 Ų | 146 | 70.7 Ų | 70.7 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.4 | -27.9 | 175 | -69.7 | -169.7 | 161.4 | 0 | 0 | 113.5 | V496 L729 | V496-E498 PolarHBondContact O-N 3.48Å; E498-L729 WeakPolarHBondContact OE1-CD2 3.4Å |
| 499 | F | 47.9 | Very low | 66.5 | Low | 144 Ų | 144 | 74.9 Ų | 74.9 | 63% | 0.632 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -102.1 | -29.6 | -169.3 | -127.3 | -90.9 | 0 | 0 | 0 | 114.6 | V496 M497 | V496-F499 HydrophobicContact CG1-CB 3.86Å; V496-F499 PolarHBondContact O-N 3.13Å; M497-F499 VanDerWaalsContact C-N 3.31Å; M497-F499 PolarHBondContact O-N 3.48Å |
| 500 | S | 51.7 | Low | 66.5 | Low | 6 Ų | 6 | 76.1 Ų | 76.1 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -117.1 | -4.7 | -157.8 | 50.2 | 0 | 0 | 0 | 0 | 116.1 | L493 V496 L502 I503 | L493-S500 WeakPolarHBondContact CD1-OG 3.44Å; V496-S500 PolarHBondContact O-OG 2.89Å; S500-L502 PolarHBondContact O-N 3.49Å; S500-I503 WeakPolarHBondContact O-CB 3.25Å; S500-I503 PolarHBondContact O-N 2.91Å |
| 501 | L | 53.6 | Low | 66.6 | Low | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.7 | 172 | -80 | 165.5 | 0 | 0 | 0 | 113.2 | F513 K517 Y520 | L501-F513 HydrophobicContact CD2-CE2 4.19Å; L501-K517 HydrophobicContact CD2-CB 4.48Å; L501-Y520 HydrophobicContact CD1-CD1 3.53Å; L501-Y520 HydrophobicContact CD1-CD2 3.64Å; L501-Y520 HydrophobicContact CD1-CE1 4.03Å; L501-Y520 HydrophobicContact CD1-CE2 4.12Å; L501-Y520 HydrophobicContact CD1-CG 3.32Å |
| 502 | L | 48.1 | Very low | 66.7 | Low | 129 Ų | 129 | 72.1 Ų | 72.1 | 68% | 0.675 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -24.9 | 171.8 | -74.4 | 165.4 | 0 | 0 | 0 | 113.6 | S500 | S500-L502 PolarHBondContact O-N 3.49Š|
| 503 | I | 51.5 | Low | 66.8 | Low | 113 Ų | 113 | 72.6 Ų | 72.6 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -36 | -165.9 | -60.4 | 175.6 | 0 | 0 | 0 | 111.7 | S500 | S500-I503 WeakPolarHBondContact O-CB 3.25Å; S500-I503 PolarHBondContact O-N 2.91Å |
| 504 | N | 55.2 | Low | 67.1 | Low | 26 Ų | 26 | 72.4 Ų | 72.4 | 14% | 0.139 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 52.5 | -171.2 | -148.8 | -11.1 | 0 | 0 | 0 | 113.6 | P487 N488 R506 A507 | P487-N504 PolarHBondContact O-ND2 3.13Å; N488-N504 PolarHBondContact OD1-ND2 2.98Å; N504-R506 PolarHBondContact O-N 3.41Å; N504-A507 HydrophobicContact CB-CB 4.34Å; N504-A507 VanDerWaalsContact CG-CB 3.49Å; N504-A507 PolarHBondContact O-N 2.81Å; N504-A507 WeakPolarHBondContact OD1-CB 3.14Å; N504-A507 PolarHBondContact OD1-N 3.34Å |
| 505 | R | 57.3 | Low | 67.5 | Low | 194 Ų | 194 | 72 Ų | 72 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -11.3 | 170.4 | -75.2 | -172.1 | 178.2 | -172 | 1 | 113.6 | V508 | R505-V508 VanDerWaalsContact O-CG2 3.27Å; R505-V508 WeakPolarHBondContact O-CG2 3.42Å |
| 506 | R | 56.8 | Low | 68 | Low | 243 Ų | 243 | 68.5 Ų | 68.5 | 92% | 0.917 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -21 | -179.9 | -68.4 | -178.3 | 177.9 | 174.1 | -0.4 | 113.7 | N504 V508 | N504-R506 PolarHBondContact O-N 3.41Å; R506-V508 VanDerWaalsContact C-N 3.29Å; R506-V508 PolarHBondContact O-N 3.47Å |
| 507 | A | 66.2 | Low | 68.5 | Low | 5 Ų | 5 | 70.9 Ų | 70.9 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | trans | -87.9 | 30.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N504 M509 D510 F513 | N504-A507 HydrophobicContact CB-CB 4.34Å; N504-A507 VanDerWaalsContact CG-CB 3.49Å; N504-A507 PolarHBondContact O-N 2.81Å; N504-A507 WeakPolarHBondContact OD1-CB 3.14Å; N504-A507 PolarHBondContact OD1-N 3.34Å; A507-M509 PolarHBondContact O-N 3.35Å; A507-M509 VanDerWaalsContact O-N 3.09Å; A507-D510 HydrophobicContact CB-CB 4.45Å; A507-D510 WeakPolarHBondContact CB-OD2 3.41Å; A507-D510 PolarHBondContact O-N 2.93Å; A507-D510 VanDerWaalsContact O-N 3.12Å; A507-F513 HydrophobicContact CB-CB 4.27Å; A507-F513 HydrophobicContact CB-CG 4.37Å; A507-F513 VanDerWaalsContact O-CB 3.3Å; A507-F513 WeakPolarHBondContact O-CB 3.05Å; A507-F513 WeakPolarHBondContact O-CD1 3.49Å; A507-F513 WeakPolarHBondContact O-CG 3.43Å | ||
| 508 | V | 65.3 | Low | 69.6 | Low | 67 Ų | 67 | 69.6 Ų | 69.6 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.7 | -174.3 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | R505 R506 N514 | R505-V508 VanDerWaalsContact O-CG2 3.27Å; R505-V508 WeakPolarHBondContact O-CG2 3.42Å; R506-V508 VanDerWaalsContact C-N 3.29Å; R506-V508 PolarHBondContact O-N 3.47Å; V508-N514 PolarHBondContact O-ND2 2.84Å; V508-N514 PolarHBondContact O-OD1 3.09Å |
| 509 | M | 72.4 | Confident | 71.1 | Confident | 171 Ų | 171 | 63.6 Ų | 63.6 | 84% | 0.842 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -16.7 | -179.2 | -61.6 | -58 | -68.1 | 0 | 0 | 113.6 | A507 | A507-M509 PolarHBondContact O-N 3.35Å; A507-M509 VanDerWaalsContact O-N 3.09Å |
| 510 | D | 84.1 | Confident | 72.9 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | trans | -75.3 | 135.8 | -174.9 | -67.2 | -33 | 0 | 0 | 0 | 111.3 | Y490 A507 G512 F513 N514 | Y490-D510 HydrophobicContact CE2-CB 4.44Å; Y490-D510 WeakPolarHBondContact OH-CB 3.46Å; Y490-D510 VanDerWaalsContact OH-CG 3.24Å; Y490-D510 PolarHBondContact OH-OD2 3.46Å; A507-D510 HydrophobicContact CB-CB 4.45Å; A507-D510 WeakPolarHBondContact CB-OD2 3.41Å; A507-D510 PolarHBondContact O-N 2.93Å; A507-D510 VanDerWaalsContact O-N 3.12Å; D510-G512 VanDerWaalsContact C-N 3.35Å; D510-G512 PolarHBondContact O-N 3.34Å; D510-F513 HydrophobicContact CB-CB 4.29Å; D510-F513 PolarHBondContact O-N 3.44Å; D510-N514 PolarHBondContact O-N 3.48Å; D510-N514 PolarHBondContact O-ND2 3.32Å | ||
| 511 | S | 86.6 | Confident | 74.5 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | -178.6 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | N514 Y515 A537 D540 | S511-N514 PolarHBondContact O-N 3.2Å; S511-Y515 PolarHBondContact O-N 3.39Å; S511-A537 WeakPolarHBondContact O-CB 3.38Å; S511-D540 WeakPolarHBondContact CB-OD1 3.37Å; S511-D540 PolarHBondContact OG-OD1 3.48Å |
| 512 | G | 85.9 | Confident | 76 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D510 Y515 C516 | D510-G512 VanDerWaalsContact C-N 3.35Å; D510-G512 PolarHBondContact O-N 3.34Å; G512-Y515 WeakPolarHBondContact O-CB 3.47Å; G512-Y515 PolarHBondContact O-N 2.84Å; G512-C516 PolarHBondContact O-N 3.37Å; G512-C516 PolarHBondContact O-SG 2.84Å; G512-C516 VanDerWaalsContact O-SG 3.35Å |
| 513 | F | 86.2 | Confident | 77.6 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 173.2 | 177.5 | -98.2 | 0 | 0 | 0 | 111.2 | Y490 L493 L501 A507 D510 Y515 C516 K517 | Y490-F513 HydrophobicContact CD1-CB 4.34Å; Y490-F513 HydrophobicContact CE1-CB 3.74Å; L493-F513 HydrophobicContact CD2-CD2 4.39Å; L501-F513 HydrophobicContact CD2-CE2 4.19Å; A507-F513 HydrophobicContact CB-CB 4.27Å; A507-F513 HydrophobicContact CB-CG 4.37Å; A507-F513 VanDerWaalsContact O-CB 3.3Å; A507-F513 WeakPolarHBondContact O-CB 3.05Å; A507-F513 WeakPolarHBondContact O-CD1 3.49Å; A507-F513 WeakPolarHBondContact O-CG 3.43Å; D510-F513 HydrophobicContact CB-CB 4.29Å; D510-F513 PolarHBondContact O-N 3.44Å; F513-Y515 VanDerWaalsContact C-N 3.29Å; F513-Y515 PolarHBondContact O-N 3.14Å; F513-C516 PolarHBondContact O-N 3.32Å; F513-K517 HydrophobicContact CE1-CD 3.88Å; F513-K517 HydrophobicContact CZ-CD 4.12Å; F513-K517 VanDerWaalsContact O-CB 3.32Å; F513-K517 WeakPolarHBondContact O-CB 3.33Å; F513-K517 PolarHBondContact O-N 3.41Å |
| 514 | N | 87.5 | Confident | 79 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -39.5 | 175.4 | -75.4 | -61.1 | 0 | 0 | 0 | 111.2 | V508 D510 S511 K517 G518 F533 K536 A537 | V508-N514 PolarHBondContact O-ND2 2.84Å; V508-N514 PolarHBondContact O-OD1 3.09Å; D510-N514 PolarHBondContact O-N 3.48Å; D510-N514 PolarHBondContact O-ND2 3.32Å; S511-N514 PolarHBondContact O-N 3.2Å; N514-K517 PolarHBondContact O-N 3.23Å; N514-G518 PolarHBondContact O-N 3.46Å; N514-F533 WeakPolarHBondContact O-CB 3.39Å; N514-F533 WeakPolarHBondContact OD1-CD1 3.37Å; N514-K536 HydrophobicContact CB-CB 4.18Å; N514-A537 HydrophobicContact CB-CB 4.38Å |
| 515 | Y | 89.2 | Confident | 80.1 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -52.8 | 173.7 | -179.1 | -89.2 | 0 | 0 | 0 | 112.3 | L494 S511 G512 F513 K517 G518 F519 F534 W543 Q546 A547 N550 | L494-Y515 HydrophobicContact CD1-CD1 4.15Å; L494-Y515 HydrophobicContact CD1-CE1 3.84Å; L494-Y515 HydrophobicContact CD2-CE1 3.96Å; S511-Y515 PolarHBondContact O-N 3.39Å; G512-Y515 WeakPolarHBondContact O-CB 3.47Å; G512-Y515 PolarHBondContact O-N 2.84Å; F513-Y515 VanDerWaalsContact C-N 3.29Å; F513-Y515 PolarHBondContact O-N 3.14Å; Y515-K517 VanDerWaalsContact C-N 3.29Å; Y515-K517 PolarHBondContact O-N 3.4Å; Y515-G518 PolarHBondContact O-N 2.81Å; Y515-F519 PolarHBondContact O-N 2.69Å; Y515-F534 AromaticContact CD2-CD1 3.91Å; Y515-F534 HydrophobicContact CD2-CD1 3.91Å; Y515-F534 AromaticContact CD2-CE1 3.71Å; Y515-F534 HydrophobicContact CD2-CE1 3.71Å; Y515-F534 HydrophobicContact CE2-CD1 4.3Å; Y515-F534 AromaticContact CE2-CE1 3.82Å; Y515-F534 HydrophobicContact CE2-CE1 3.82Å; Y515-F534 HydrophobicContact CG-CE1 4.22Å; Y515-F534 WeakPolarHBondContact O-CE1 3.32Å; Y515-W543 HydrophobicContact CD1-CD2 4.37Å; Y515-W543 AromaticContact CD1-CE3 3.29Å; Y515-W543 HydrophobicContact CD1-CE3 3.29Å; Y515-W543 HydrophobicContact CD1-CH2 4.42Å; Y515-W543 AromaticContact CD1-CZ3 3.31Å; Y515-W543 HydrophobicContact CD1-CZ3 3.31Å; Y515-W543 AromaticContact CD2-CE3 3.89Å; Y515-W543 HydrophobicContact CD2-CE3 3.89Å; Y515-W543 AromaticContact CE1-CE3 3.72Å; Y515-W543 HydrophobicContact CE1-CE3 3.72Å; Y515-W543 AromaticContact CE1-CZ3 3.51Å; Y515-W543 HydrophobicContact CE1-CZ3 3.51Å; Y515-W543 HydrophobicContact CE2-CE3 4.25Å; Y515-W543 HydrophobicContact CG-CD2 4.19Å; Y515-W543 AromaticContact CG-CE3 3.38Å; Y515-W543 HydrophobicContact CG-CE3 3.38Å; Y515-W543 AromaticContact CG-CZ3 3.94Å; Y515-W543 HydrophobicContact CG-CZ3 3.94Å; Y515-Q546 HydrophobicContact CE2-CB 3.65Å; Y515-A547 HydrophobicContact CD2-CB 4Å; Y515-A547 HydrophobicContact CE2-CB 4.41Å; Y515-N550 WeakPolarHBondContact CE2-ND2 3.32Å; Y515-N550 PolarHBondContact OH-ND2 2.92Å |
| 516 | C | 87 | Confident | 81.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 178.8 | -66.9 | 0 | 0 | 0 | 0 | 112 | Y490 L493 G512 F513 F519 Y520 | Y490-C516 PolarHBondContact O-SG 3.03Å; Y490-C516 VanDerWaalsContact O-SG 3.34Å; L493-C516 HydrophobicContact CD2-CB 3.95Å; L493-C516 HydrophobicContact CG-CB 4.28Å; G512-C516 PolarHBondContact O-N 3.37Å; G512-C516 PolarHBondContact O-SG 2.84Å; G512-C516 VanDerWaalsContact O-SG 3.35Å; F513-C516 PolarHBondContact O-N 3.32Å; C516-F519 PolarHBondContact O-N 3.3Å; C516-Y520 WeakPolarHBondContact O-CB 3.31Å; C516-Y520 PolarHBondContact O-N 3.27Å |
| 517 | K | 86.7 | Confident | 82.5 | Confident | 59 Ų | 59 | 32.5 Ų | 32.5 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.5 | -38.8 | 178.3 | -169.8 | 169.2 | 180 | -174.9 | 0 | 112.4 | L501 F513 N514 Y515 F519 Y520 E521 F533 | L501-K517 HydrophobicContact CD2-CB 4.48Å; F513-K517 HydrophobicContact CE1-CD 3.88Å; F513-K517 HydrophobicContact CZ-CD 4.12Å; F513-K517 VanDerWaalsContact O-CB 3.32Å; F513-K517 WeakPolarHBondContact O-CB 3.33Å; F513-K517 PolarHBondContact O-N 3.41Å; N514-K517 PolarHBondContact O-N 3.23Å; Y515-K517 VanDerWaalsContact C-N 3.29Å; Y515-K517 PolarHBondContact O-N 3.4Å; K517-F519 VanDerWaalsContact C-N 3.35Å; K517-Y520 PolarHBondContact O-N 2.98Å; K517-E521 WeakPolarHBondContact O-CG 3.31Å; K517-E521 PolarHBondContact O-N 2.77Å; K517-F533 HydrophobicContact CB-CD1 4.36Å; K517-F533 HydrophobicContact CB-CD2 4.48Å; K517-F533 HydrophobicContact CB-CG 4.26Å; K517-F533 HydrophobicContact CD-CD1 3.96Å; K517-F533 HydrophobicContact CD-CD2 4.19Å; K517-F533 HydrophobicContact CD-CE1 3.55Å; K517-F533 HydrophobicContact CD-CE2 3.82Å; K517-F533 HydrophobicContact CD-CG 4.3Å; K517-F533 HydrophobicContact CD-CZ 3.51Å; K517-F533 VanDerWaalsContact CE-CE2 3.48Å; K517-F533 HydrophobicContact CG-CD1 4.21Å; K517-F533 HydrophobicContact CG-CD2 3.87Å; K517-F533 HydrophobicContact CG-CE1 4.23Å; K517-F533 HydrophobicContact CG-CE2 3.89Å; K517-F533 HydrophobicContact CG-CG 4.08Å; K517-F533 HydrophobicContact CG-CZ 4.11Å; K517-F533 VanDerWaalsContact NZ-CZ 3.3Å |
| 518 | G | 88 | Confident | 83.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N514 Y515 Y520 E521 W522 A530 F534 | N514-G518 PolarHBondContact O-N 3.46Å; Y515-G518 PolarHBondContact O-N 2.81Å; G518-Y520 VanDerWaalsContact C-N 3.34Å; G518-Y520 PolarHBondContact O-N 2.82Å; G518-E521 PolarHBondContact O-N 2.76Å; G518-W522 WeakPolarHBondContact O-CB 3.4Å; G518-W522 PolarHBondContact O-N 3.1Å; G518-A530 VanDerWaalsContact O-CB 3.3Å; G518-A530 WeakPolarHBondContact O-CB 3.39Å; G518-F534 VanDerWaalsContact C-CZ 3.41Å |
| 519 | F | 86.7 | Confident | 84.1 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.7 | -166.2 | -85.2 | 0 | 0 | 0 | 112.2 | L494 M497 Y515 C516 K517 W522 K523 F534 | L494-F519 HydrophobicContact CD1-CB 3.88Å; L494-F519 HydrophobicContact CD1-CD1 3.97Å; L494-F519 HydrophobicContact CD1-CD2 4.42Å; L494-F519 HydrophobicContact CD1-CG 3.84Å; M497-F519 HydrophobicContact CE-CD1 3.25Å; M497-F519 HydrophobicContact CE-CE1 3.49Å; M497-F519 VanDerWaalsContact CE-CE1 3.49Å; M497-F519 HydrophobicContact CE-CG 4.43Å; M497-F519 HydrophobicContact SD-CB 4.39Å; M497-F519 HydrophobicContact SD-CD1 3.72Å; M497-F519 HydrophobicContact SD-CG 4.49Å; Y515-F519 PolarHBondContact O-N 2.69Å; C516-F519 PolarHBondContact O-N 3.3Å; K517-F519 VanDerWaalsContact C-N 3.35Å; F519-W522 WeakPolarHBondContact O-CB 3.31Å; F519-W522 PolarHBondContact O-N 3.41Å; F519-K523 HydrophobicContact CD1-CG 3.95Å; F519-K523 HydrophobicContact CE1-CD 4.25Å; F519-K523 HydrophobicContact CE1-CG 3.67Å; F519-K523 HydrophobicContact CZ-CD 4.47Å; F519-K523 HydrophobicContact CZ-CG 4.31Å; F519-K523 WeakPolarHBondContact O-CG 3.24Å; F519-K523 PolarHBondContact O-N 2.88Å; F519-F534 HydrophobicContact CB-CE1 4.34Å; F519-F534 HydrophobicContact CB-CZ 3.93Å; F519-F534 HydrophobicContact CD2-CZ 4.41Å |
| 520 | Y | 85.5 | Confident | 84.8 | Confident | 29 Ų | 29 | 25.7 Ų | 25.7 | 11% | 0.114 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -51.3 | 174.5 | -177.1 | -101.3 | 0 | 0 | 0 | 112.8 | M497 L501 C516 K517 G518 W522 K523 T524 R731 | M497-Y520 HydrophobicContact CB-CD2 3.97Å; L501-Y520 HydrophobicContact CD1-CD1 3.53Å; L501-Y520 HydrophobicContact CD1-CD2 3.64Å; L501-Y520 HydrophobicContact CD1-CE1 4.03Å; L501-Y520 HydrophobicContact CD1-CE2 4.12Å; L501-Y520 HydrophobicContact CD1-CG 3.32Å; C516-Y520 WeakPolarHBondContact O-CB 3.31Å; C516-Y520 PolarHBondContact O-N 3.27Å; K517-Y520 PolarHBondContact O-N 2.98Å; G518-Y520 VanDerWaalsContact C-N 3.34Å; G518-Y520 PolarHBondContact O-N 2.82Å; Y520-W522 PolarHBondContact O-N 3.19Å; Y520-K523 PolarHBondContact O-N 2.96Å; Y520-T524 HydrophobicContact CD1-CG2 4.21Å; Y520-T524 HydrophobicContact CD2-CG2 4.43Å; Y520-T524 HydrophobicContact CE1-CG2 3.67Å; Y520-T524 HydrophobicContact CE2-CG2 3.93Å; Y520-T524 WeakPolarHBondContact O-CG2 3.25Å; Y520-T524 PolarHBondContact O-N 3.04Å; Y520-T524 PolarHBondContact O-OG1 3.33Å; Y520-R731 PolarHBondContact OH-NE 3.03Å; Y520-R731 PolarHBondContact OH-NH2 3.04Å |
| 521 | E | 84.9 | Confident | 84.8 | Confident | 22 Ų | 22 | 25 Ų | 25 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.1 | -39.4 | 178 | -70.4 | -66.5 | 163.7 | 0 | 0 | 110.6 | K517 G518 T524 G525 N526 A530 F533 R733 | K517-E521 WeakPolarHBondContact O-CG 3.31Å; K517-E521 PolarHBondContact O-N 2.77Å; G518-E521 PolarHBondContact O-N 2.76Å; E521-T524 WeakPolarHBondContact CA-OG1 3.37Å; E521-T524 PolarHBondContact O-N 3.18Å; E521-T524 PolarHBondContact O-OG1 2.92Å; E521-G525 PolarHBondContact O-N 3.41Å; E521-N526 HydrophobicContact CB-CB 4.29Å; E521-N526 PolarHBondContact O-N 2.9Å; E521-N526 VanDerWaalsContact OE2-CB 3.32Å; E521-N526 WeakPolarHBondContact OE2-CB 3.36Å; E521-N526 PolarHBondContact OE2-ND2 2.99Å; E521-A530 HydrophobicContact CB-CB 4.24Å; E521-F533 HydrophobicContact CG-CD2 4.16Å; E521-F533 HydrophobicContact CG-CE2 4.27Å; E521-R733 IonicContact OE2-CZ 3.72Å; E521-R733 IonicContact OE2-NH1 3.31Å; E521-R733 PolarHBondContact OE2-NH1 2.67Å |
| 522 | W | 84.9 | Confident | 84.7 | Confident | 21 Ų | 21 | 26.3 Ų | 26.3 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -52.7 | 175.2 | 175.7 | -126.6 | 0 | 0 | 0 | 112.5 | G518 F519 Y520 T524 G525 S527 A530 I554 N557 N560 | G518-W522 WeakPolarHBondContact O-CB 3.4Å; G518-W522 PolarHBondContact O-N 3.1Å; F519-W522 WeakPolarHBondContact O-CB 3.31Å; F519-W522 PolarHBondContact O-N 3.41Å; Y520-W522 PolarHBondContact O-N 3.19Å; W522-T524 PolarHBondContact O-N 3.29Å; W522-G525 PolarHBondContact O-N 3.47Å; W522-S527 WeakPolarHBondContact CZ3-OG 3.23Å; W522-A530 HydrophobicContact CB-CB 3.72Å; W522-I554 HydrophobicContact CB-CD1 4.25Å; W522-I554 HydrophobicContact CD2-CD1 3.98Å; W522-I554 HydrophobicContact CD2-CG1 3.61Å; W522-I554 HydrophobicContact CE3-CB 4.47Å; W522-I554 HydrophobicContact CE3-CD1 4.02Å; W522-I554 HydrophobicContact CE3-CG1 3.6Å; W522-I554 HydrophobicContact CE3-CG2 4.2Å; W522-I554 HydrophobicContact CG-CD1 4.09Å; W522-I554 HydrophobicContact CG-CG1 4.16Å; W522-I554 HydrophobicContact CH2-CG1 4.23Å; W522-I554 HydrophobicContact CZ2-CG1 4.21Å; W522-I554 HydrophobicContact CZ3-CB 4.38Å; W522-I554 HydrophobicContact CZ3-CG1 3.92Å; W522-I554 HydrophobicContact CZ3-CG2 3.99Å; W522-N557 WeakPolarHBondContact CH2-O 3.39Å; W522-N560 HydrophobicContact CH2-CB 3.94Å; W522-N560 HydrophobicContact CZ2-CB 4.39Å; W522-N560 WeakPolarHBondContact CZ2-OD1 3.31Å |
| 523 | K | 81.9 | Confident | 84.8 | Confident | 52 Ų | 52 | 27.6 Ų | 27.6 | 23% | 0.226 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -26.1 | -179.7 | -67.7 | -68.1 | -173.4 | 175 | 0 | 112.8 | F519 Y520 G525 N663 E666 I700 | F519-K523 HydrophobicContact CD1-CG 3.95Å; F519-K523 HydrophobicContact CE1-CD 4.25Å; F519-K523 HydrophobicContact CE1-CG 3.67Å; F519-K523 HydrophobicContact CZ-CD 4.47Å; F519-K523 HydrophobicContact CZ-CG 4.31Å; F519-K523 WeakPolarHBondContact O-CG 3.24Å; F519-K523 PolarHBondContact O-N 2.88Å; Y520-K523 PolarHBondContact O-N 2.96Å; K523-G525 VanDerWaalsContact C-N 3.32Å; K523-N663 PolarHBondContact NZ-OD1 3.47Å; K523-N663 VanDerWaalsContact NZ-OD1 3.12Å; K523-E666 IonicContact NZ-OE1 2.69Å; K523-E666 IonicContact NZ-OE2 3.48Å; K523-I700 WeakPolarHBondContact O-CD1 3.41Å |
| 524 | T | 80.8 | Confident | 84.8 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -2.1 | 172.2 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | Y520 E521 W522 | Y520-T524 HydrophobicContact CD1-CG2 4.21Å; Y520-T524 HydrophobicContact CD2-CG2 4.43Å; Y520-T524 HydrophobicContact CE1-CG2 3.67Å; Y520-T524 HydrophobicContact CE2-CG2 3.93Å; Y520-T524 WeakPolarHBondContact O-CG2 3.25Å; Y520-T524 PolarHBondContact O-N 3.04Å; Y520-T524 PolarHBondContact O-OG1 3.33Å; E521-T524 WeakPolarHBondContact CA-OG1 3.37Å; E521-T524 PolarHBondContact O-N 3.18Å; E521-T524 PolarHBondContact O-OG1 2.92Å; W522-T524 PolarHBondContact O-N 3.29Å |
| 525 | G | 78.1 | Confident | 84.8 | Confident | 47 Ų | 47 | 29.5 Ų | 29.5 | 49% | 0.485 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 14.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E521 W522 K523 | E521-G525 PolarHBondContact O-N 3.41Å; W522-G525 PolarHBondContact O-N 3.47Å; K523-G525 VanDerWaalsContact C-N 3.32Å |
| 526 | N | 81.8 | Confident | 84.6 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | trans | -102.3 | 81.5 | 174.8 | -179.6 | 15.4 | 0 | 0 | 0 | 111.8 | E521 S528 G529 A530 R733 | E521-N526 HydrophobicContact CB-CB 4.29Å; E521-N526 PolarHBondContact O-N 2.9Å; E521-N526 VanDerWaalsContact OE2-CB 3.32Å; E521-N526 WeakPolarHBondContact OE2-CB 3.36Å; E521-N526 PolarHBondContact OE2-ND2 2.99Å; N526-S528 VanDerWaalsContact C-N 3.35Å; N526-S528 PolarHBondContact O-N 2.96Å; N526-S528 PolarHBondContact OD1-OG 3.46Å; N526-G529 PolarHBondContact O-N 3.31Å; N526-G529 PolarHBondContact OD1-N 3.14Å; N526-G529 VanDerWaalsContact OD1-N 3.12Å; N526-A530 WeakPolarHBondContact O-CB 3.34Å; N526-A530 PolarHBondContact O-N 2.88Å; N526-R733 VanDerWaalsContact CB-NH1 3.34Å | ||
| 527 | S | 82.3 | Confident | 84.6 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 16% | 0.161 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | -176.7 | -40.9 | 0 | 0 | 0 | 0 | 112.8 | W522 A530 L531 P558 | W522-S527 WeakPolarHBondContact CZ3-OG 3.23Å; S527-A530 WeakPolarHBondContact O-CB 3.45Å; S527-A530 PolarHBondContact O-N 3.14Å; S527-L531 WeakPolarHBondContact O-CG 3.26Å; S527-L531 PolarHBondContact O-N 3.36Å; S527-P558 WeakPolarHBondContact CB-O 3.24Å; S527-P558 PolarHBondContact OG-O 3Å |
| 528 | S | 81.4 | Confident | 84.3 | Confident | 90 Ų | 90 | 35.9 Ų | 35.9 | 63% | 0.629 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -65.3 | -43.5 | 178.2 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | N526 S532 | N526-S528 VanDerWaalsContact C-N 3.35Å; N526-S528 PolarHBondContact O-N 2.96Å; N526-S528 PolarHBondContact OD1-OG 3.46Å; S528-S532 PolarHBondContact O-N 3.36Å; S528-S532 VanDerWaalsContact O-N 3.12Å |
| 529 | G | 84.1 | Confident | 83.9 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N526 S532 F533 | N526-G529 PolarHBondContact O-N 3.31Å; N526-G529 PolarHBondContact OD1-N 3.14Å; N526-G529 VanDerWaalsContact OD1-N 3.12Å; G529-S532 WeakPolarHBondContact O-CB 3.33Å; G529-S532 PolarHBondContact O-N 3.46Å; G529-F533 WeakPolarHBondContact O-CD2 3.2Å; G529-F533 PolarHBondContact O-N 3.31Å |
| 530 | A | 86.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -50.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G518 E521 W522 N526 S527 S532 F533 F534 I554 | G518-A530 VanDerWaalsContact O-CB 3.3Å; G518-A530 WeakPolarHBondContact O-CB 3.39Å; E521-A530 HydrophobicContact CB-CB 4.24Å; W522-A530 HydrophobicContact CB-CB 3.72Å; N526-A530 WeakPolarHBondContact O-CB 3.34Å; N526-A530 PolarHBondContact O-N 2.88Å; S527-A530 WeakPolarHBondContact O-CB 3.45Å; S527-A530 PolarHBondContact O-N 3.14Å; A530-S532 VanDerWaalsContact C-N 3.32Å; A530-S532 PolarHBondContact O-N 3.04Å; A530-F533 PolarHBondContact O-N 3.35Å; A530-F534 HydrophobicContact CB-CD2 4.33Å; A530-F534 HydrophobicContact CB-CE2 4.23Å; A530-F534 WeakPolarHBondContact O-CD2 3.5Å; A530-F534 PolarHBondContact O-N 2.7Å; A530-I554 HydrophobicContact CB-CD1 3.67Å |
| 531 | L | 84.8 | Confident | 83.7 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.8 | -70.7 | 173.3 | 0 | 0 | 0 | 111.9 | S527 F533 S535 I551 I554 L555 | S527-L531 WeakPolarHBondContact O-CG 3.26Å; S527-L531 PolarHBondContact O-N 3.36Å; L531-F533 VanDerWaalsContact C-N 3.34Å; L531-F533 PolarHBondContact O-N 3.44Å; L531-S535 VanDerWaalsContact O-CB 3.25Å; L531-S535 WeakPolarHBondContact O-CB 3.29Å; L531-S535 PolarHBondContact O-N 3.5Å; L531-S535 PolarHBondContact O-OG 3.28Å; L531-I551 HydrophobicContact CD2-CB 4.35Å; L531-I551 HydrophobicContact CD2-CG1 4.21Å; L531-I551 HydrophobicContact CD2-CG2 4Å; L531-I554 HydrophobicContact CD1-CG2 4.14Å; L531-I554 HydrophobicContact CD2-CB 4.03Å; L531-I554 HydrophobicContact CD2-CD1 4.45Å; L531-I554 HydrophobicContact CD2-CG2 3.81Å; L531-I554 HydrophobicContact CG-CG2 3.82Å; L531-L555 HydrophobicContact CD1-CD2 4.15Å; L531-L555 HydrophobicContact CD2-CD2 4.29Å; L531-L555 HydrophobicContact CD2-CG 4.29Å |
| 532 | S | 85.1 | Confident | 83.6 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 176.6 | -173.6 | 0 | 0 | 0 | 0 | 112 | S528 G529 A530 S535 K536 | S528-S532 PolarHBondContact O-N 3.36Å; S528-S532 VanDerWaalsContact O-N 3.12Å; G529-S532 WeakPolarHBondContact O-CB 3.33Å; G529-S532 PolarHBondContact O-N 3.46Å; A530-S532 VanDerWaalsContact C-N 3.32Å; A530-S532 PolarHBondContact O-N 3.04Å; S532-S535 PolarHBondContact O-OG 2.96Å; S532-K536 WeakPolarHBondContact O-CG 3.16Å |
| 533 | F | 87.9 | Confident | 83.6 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76 | -41 | -179.8 | -75.2 | -63 | 0 | 0 | 0 | 113.2 | N514 K517 E521 G529 A530 L531 S535 K536 A537 | N514-F533 WeakPolarHBondContact O-CB 3.39Å; N514-F533 WeakPolarHBondContact OD1-CD1 3.37Å; K517-F533 HydrophobicContact CB-CD1 4.36Å; K517-F533 HydrophobicContact CB-CD2 4.48Å; K517-F533 HydrophobicContact CB-CG 4.26Å; K517-F533 HydrophobicContact CD-CD1 3.96Å; K517-F533 HydrophobicContact CD-CD2 4.19Å; K517-F533 HydrophobicContact CD-CE1 3.55Å; K517-F533 HydrophobicContact CD-CE2 3.82Å; K517-F533 HydrophobicContact CD-CG 4.3Å; K517-F533 HydrophobicContact CD-CZ 3.51Å; K517-F533 VanDerWaalsContact CE-CE2 3.48Å; K517-F533 HydrophobicContact CG-CD1 4.21Å; K517-F533 HydrophobicContact CG-CD2 3.87Å; K517-F533 HydrophobicContact CG-CE1 4.23Å; K517-F533 HydrophobicContact CG-CE2 3.89Å; K517-F533 HydrophobicContact CG-CG 4.08Å; K517-F533 HydrophobicContact CG-CZ 4.11Å; K517-F533 VanDerWaalsContact NZ-CZ 3.3Å; E521-F533 HydrophobicContact CG-CD2 4.16Å; E521-F533 HydrophobicContact CG-CE2 4.27Å; G529-F533 WeakPolarHBondContact O-CD2 3.2Å; G529-F533 PolarHBondContact O-N 3.31Å; A530-F533 PolarHBondContact O-N 3.35Å; L531-F533 VanDerWaalsContact C-N 3.34Å; L531-F533 PolarHBondContact O-N 3.44Å; F533-S535 VanDerWaalsContact C-N 3.32Å; F533-S535 PolarHBondContact O-N 3.11Å; F533-K536 HydrophobicContact CD1-CD 4.46Å; F533-K536 WeakPolarHBondContact O-CB 2.89Å; F533-K536 PolarHBondContact O-N 2.96Å; F533-A537 PolarHBondContact O-N 2.94Å |
| 534 | F | 86.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.4 | -71.8 | -51.3 | 0 | 0 | 0 | 112.5 | Y515 G518 F519 A530 K536 A537 R538 A547 N550 I551 I554 | Y515-F534 AromaticContact CD2-CD1 3.91Å; Y515-F534 HydrophobicContact CD2-CD1 3.91Å; Y515-F534 AromaticContact CD2-CE1 3.71Å; Y515-F534 HydrophobicContact CD2-CE1 3.71Å; Y515-F534 HydrophobicContact CE2-CD1 4.3Å; Y515-F534 AromaticContact CE2-CE1 3.82Å; Y515-F534 HydrophobicContact CE2-CE1 3.82Å; Y515-F534 HydrophobicContact CG-CE1 4.22Å; Y515-F534 WeakPolarHBondContact O-CE1 3.32Å; G518-F534 VanDerWaalsContact C-CZ 3.41Å; F519-F534 HydrophobicContact CB-CE1 4.34Å; F519-F534 HydrophobicContact CB-CZ 3.93Å; F519-F534 HydrophobicContact CD2-CZ 4.41Å; A530-F534 HydrophobicContact CB-CD2 4.33Å; A530-F534 HydrophobicContact CB-CE2 4.23Å; A530-F534 WeakPolarHBondContact O-CD2 3.5Å; A530-F534 PolarHBondContact O-N 2.7Å; F534-K536 PolarHBondContact O-N 3.41Å; F534-A537 PolarHBondContact O-N 3.34Å; F534-R538 PolarHBondContact O-N 3.41Å; F534-A547 HydrophobicContact CB-CB 4.36Å; F534-A547 HydrophobicContact CD1-CB 4.14Å; F534-N550 HydrophobicContact CD1-CB 4.36Å; F534-N550 HydrophobicContact CD2-CB 4.09Å; F534-N550 HydrophobicContact CE1-CB 4.02Å; F534-N550 WeakPolarHBondContact CE1-ND2 3.45Å; F534-N550 HydrophobicContact CE2-CB 3.72Å; F534-N550 HydrophobicContact CG-CB 4.4Å; F534-N550 HydrophobicContact CZ-CB 3.65Å; F534-N550 WeakPolarHBondContact CZ-ND2 3.5Å; F534-I551 HydrophobicContact CB-CD1 3.74Å; F534-I551 HydrophobicContact CB-CG1 3.52Å; F534-I551 HydrophobicContact CG-CG1 4.38Å; F534-I554 HydrophobicContact CD2-CD1 3.69Å; F534-I554 HydrophobicContact CE2-CD1 3.55Å |
| 535 | S | 85.7 | Confident | 83.8 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -29.4 | 176.8 | 71.5 | 0 | 0 | 0 | 0 | 112.9 | L531 S532 F533 R538 | L531-S535 VanDerWaalsContact O-CB 3.25Å; L531-S535 WeakPolarHBondContact O-CB 3.29Å; L531-S535 PolarHBondContact O-N 3.5Å; L531-S535 PolarHBondContact O-OG 3.28Å; S532-S535 PolarHBondContact O-OG 2.96Å; F533-S535 VanDerWaalsContact C-N 3.32Å; F533-S535 PolarHBondContact O-N 3.11Å; S535-R538 WeakPolarHBondContact O-CB 3.31Å |
| 536 | K | 86.3 | Confident | 84 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.5 | -36.1 | 173.7 | -66.8 | 172.2 | -176.9 | 176.7 | 0 | 112.5 | N514 S532 F533 F534 | N514-K536 HydrophobicContact CB-CB 4.18Å; S532-K536 WeakPolarHBondContact O-CG 3.16Å; F533-K536 HydrophobicContact CD1-CD 4.46Å; F533-K536 WeakPolarHBondContact O-CB 2.89Å; F533-K536 PolarHBondContact O-N 2.96Å; F534-K536 PolarHBondContact O-N 3.41Å |
| 537 | A | 86.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.3 | -17.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S511 N514 F533 F534 K539 D540 G544 A547 | S511-A537 WeakPolarHBondContact O-CB 3.38Å; N514-A537 HydrophobicContact CB-CB 4.38Å; F533-A537 PolarHBondContact O-N 2.94Å; F534-A537 PolarHBondContact O-N 3.34Å; A537-K539 VanDerWaalsContact C-N 3.28Å; A537-K539 PolarHBondContact O-N 2.87Å; A537-K539 VanDerWaalsContact O-N 3.08Å; A537-D540 WeakPolarHBondContact O-CB 3.46Å; A537-D540 PolarHBondContact O-N 3.35Å; A537-D540 VanDerWaalsContact O-N 3.11Å; A537-G544 WeakPolarHBondContact O-CA 3.33Å; A537-A547 HydrophobicContact CB-CB 3.99Å |
| 538 | R | 81.1 | Confident | 84.2 | Confident | 90 Ų | 90 | 56.3 Ų | 56.3 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -29.6 | -170.7 | -172.1 | 170.8 | 63.3 | 170.9 | -2.4 | 116.3 | F534 S535 G544 | F534-R538 PolarHBondContact O-N 3.41Å; S535-R538 WeakPolarHBondContact O-CB 3.31Å; R538-G544 VanDerWaalsContact O-CA 3.31Å; R538-G544 WeakPolarHBondContact O-CA 3.43Å |
| 539 | K | 79.1 | Confident | 84.3 | Confident | 187 Ų | 187 | 52.6 Ų | 52.6 | 81% | 0.813 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.3 | -176.8 | -67.4 | -174.7 | -179.5 | -180 | 0 | 113.9 | A537 | A537-K539 VanDerWaalsContact C-N 3.28Å; A537-K539 PolarHBondContact O-N 2.87Å; A537-K539 VanDerWaalsContact O-N 3.08Å |
| 540 | D | 84.9 | Confident | 84.3 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | trans | -77.5 | 138.1 | -174.6 | -171 | 88.9 | 0 | 0 | 0 | 112 | S511 A537 Q542 W543 G544 | S511-D540 WeakPolarHBondContact CB-OD1 3.37Å; S511-D540 PolarHBondContact OG-OD1 3.48Å; A537-D540 WeakPolarHBondContact O-CB 3.46Å; A537-D540 PolarHBondContact O-N 3.35Å; A537-D540 VanDerWaalsContact O-N 3.11Å; D540-Q542 VanDerWaalsContact C-N 3.29Å; D540-Q542 PolarHBondContact O-N 3.46Å; D540-Q542 WeakPolarHBondContact OD2-CA 3.4Å; D540-Q542 WeakPolarHBondContact OD2-CB 3.33Å; D540-Q542 PolarHBondContact OD2-N 3Å; D540-W543 HydrophobicContact CB-CB 4.34Å; D540-W543 PolarHBondContact OD2-N 3.19Å; D540-G544 WeakPolarHBondContact O-CA 3.38Å; D540-G544 PolarHBondContact O-N 3.04Å | ||
| 541 | P | 82.6 | Confident | 84.1 | Confident | 126 Ų | 126 | 53.6 Ų | 53.6 | 82% | 0.818 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.5 | 179 | -23 | 33.5 | 0 | 0 | 0 | 114.8 | ||
| 542 | Q | 83.5 | Confident | 83.7 | Confident | 154 Ų | 154 | 51.3 Ų | 51.3 | 72% | 0.72 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -48.7 | -177.7 | -62.9 | 179.6 | -13.4 | 0 | 0 | 111.3 | D540 | D540-Q542 VanDerWaalsContact C-N 3.29Å; D540-Q542 PolarHBondContact O-N 3.46Å; D540-Q542 WeakPolarHBondContact OD2-CA 3.4Å; D540-Q542 WeakPolarHBondContact OD2-CB 3.33Å; D540-Q542 PolarHBondContact OD2-N 3Å |
| 543 | W | 83.9 | Confident | 83.4 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -17.3 | -174 | -62.2 | 93.7 | 0 | 0 | 0 | 114 | H491 Y515 D540 E545 Q546 A547 | H491-W543 AromaticContact CE1-CH2 3.53Å; H491-W543 AromaticContact CE1-CZ2 3.83Å; H491-W543 AromaticContact ND1-CH2 3.63Å; H491-W543 AromaticContact NE2-CH2 3.9Å; H491-W543 AromaticContact NE2-CZ2 3.73Å; Y515-W543 HydrophobicContact CD1-CD2 4.37Å; Y515-W543 AromaticContact CD1-CE3 3.29Å; Y515-W543 HydrophobicContact CD1-CE3 3.29Å; Y515-W543 HydrophobicContact CD1-CH2 4.42Å; Y515-W543 AromaticContact CD1-CZ3 3.31Å; Y515-W543 HydrophobicContact CD1-CZ3 3.31Å; Y515-W543 AromaticContact CD2-CE3 3.89Å; Y515-W543 HydrophobicContact CD2-CE3 3.89Å; Y515-W543 AromaticContact CE1-CE3 3.72Å; Y515-W543 HydrophobicContact CE1-CE3 3.72Å; Y515-W543 AromaticContact CE1-CZ3 3.51Å; Y515-W543 HydrophobicContact CE1-CZ3 3.51Å; Y515-W543 HydrophobicContact CE2-CE3 4.25Å; Y515-W543 HydrophobicContact CG-CD2 4.19Å; Y515-W543 AromaticContact CG-CE3 3.38Å; Y515-W543 HydrophobicContact CG-CE3 3.38Å; Y515-W543 AromaticContact CG-CZ3 3.94Å; Y515-W543 HydrophobicContact CG-CZ3 3.94Å; D540-W543 HydrophobicContact CB-CB 4.34Å; D540-W543 PolarHBondContact OD2-N 3.19Å; W543-E545 VanDerWaalsContact C-N 3.34Å; W543-E545 PolarHBondContact O-N 3.07Å; W543-Q546 PolarHBondContact O-N 3.38Å; W543-A547 WeakPolarHBondContact O-CB 3.41Å; W543-A547 PolarHBondContact O-N 3.38Å |
| 544 | G | 84.1 | Confident | 83 | Confident | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -39.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A537 R538 D540 T548 | A537-G544 WeakPolarHBondContact O-CA 3.33Å; R538-G544 VanDerWaalsContact O-CA 3.31Å; R538-G544 WeakPolarHBondContact O-CA 3.43Å; D540-G544 WeakPolarHBondContact O-CA 3.38Å; D540-G544 PolarHBondContact O-N 3.04Å; G544-T548 WeakPolarHBondContact O-CB 3.15Å; G544-T548 PolarHBondContact O-N 3.12Å; G544-T548 PolarHBondContact O-OG1 3.28Å |
| 545 | E | 82.4 | Confident | 82.3 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.3 | -53.6 | 178.4 | -168.4 | 178.3 | 139.8 | 0 | 0 | 111.5 | W543 A547 T548 Y549 | W543-E545 VanDerWaalsContact C-N 3.34Å; W543-E545 PolarHBondContact O-N 3.07Å; E545-A547 VanDerWaalsContact C-N 3.34Å; E545-A547 PolarHBondContact O-N 3.19Å; E545-T548 PolarHBondContact O-N 2.99Å; E545-T548 VanDerWaalsContact O-N 3.08Å; E545-Y549 HydrophobicContact CG-CD2 4.29Å; E545-Y549 HydrophobicContact CG-CE2 3.6Å; E545-Y549 PolarHBondContact O-N 3.19Å; E545-Y549 PolarHBondContact OE1-OH 2.96Å |
| 546 | Q | 83.2 | Confident | 81.6 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 177.1 | -67.3 | -65.1 | -25 | 0 | 0 | 112.6 | Y515 W543 T548 Y549 N550 | Y515-Q546 HydrophobicContact CE2-CB 3.65Å; W543-Q546 PolarHBondContact O-N 3.38Å; Q546-T548 VanDerWaalsContact C-N 3.27Å; Q546-T548 PolarHBondContact O-N 3.42Å; Q546-Y549 PolarHBondContact O-N 3.41Å; Q546-N550 PolarHBondContact O-N 2.87Å; Q546-N550 PolarHBondContact O-ND2 2.98Å |
| 547 | A | 86.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y515 F534 A537 W543 E545 N550 I551 | Y515-A547 HydrophobicContact CD2-CB 4Å; Y515-A547 HydrophobicContact CE2-CB 4.41Å; F534-A547 HydrophobicContact CB-CB 4.36Å; F534-A547 HydrophobicContact CD1-CB 4.14Å; A537-A547 HydrophobicContact CB-CB 3.99Å; W543-A547 WeakPolarHBondContact O-CB 3.41Å; W543-A547 PolarHBondContact O-N 3.38Å; E545-A547 VanDerWaalsContact C-N 3.34Å; E545-A547 PolarHBondContact O-N 3.19Å; A547-N550 PolarHBondContact O-N 2.9Å; A547-I551 WeakPolarHBondContact O-CD1 3.29Å; A547-I551 VanDerWaalsContact O-CG1 3.22Å; A547-I551 WeakPolarHBondContact O-CG1 3.48Å; A547-I551 PolarHBondContact O-N 3.46Å |
| 548 | T | 82.5 | Confident | 79.7 | Confident | 26 Ų | 26 | 45 Ų | 45 | 16% | 0.16 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.6 | -39.5 | 179.2 | -46.8 | 0 | 0 | 0 | 0 | 111.4 | G544 E545 Q546 I551 I552 F580 | G544-T548 WeakPolarHBondContact O-CB 3.15Å; G544-T548 PolarHBondContact O-N 3.12Å; G544-T548 PolarHBondContact O-OG1 3.28Å; E545-T548 PolarHBondContact O-N 2.99Å; E545-T548 VanDerWaalsContact O-N 3.08Å; Q546-T548 VanDerWaalsContact C-N 3.27Å; Q546-T548 PolarHBondContact O-N 3.42Å; T548-I551 WeakPolarHBondContact O-CB 3.49Å; T548-I551 PolarHBondContact O-N 3.28Å; T548-I552 WeakPolarHBondContact O-CG1 3.45Å; T548-I552 PolarHBondContact O-N 2.79Å; T548-F580 HydrophobicContact CG2-CD2 4.36Å; T548-F580 HydrophobicContact CG2-CE1 4.22Å; T548-F580 HydrophobicContact CG2-CE2 3.24Å; T548-F580 HydrophobicContact CG2-CZ 3.18Å |
| 549 | Y | 83 | Confident | 78.7 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 172.4 | -64 | -34 | 0 | 0 | 0 | 112.4 | E545 Q546 I551 I552 E553 F580 K587 Y588 M591 | E545-Y549 HydrophobicContact CG-CD2 4.29Å; E545-Y549 HydrophobicContact CG-CE2 3.6Å; E545-Y549 PolarHBondContact O-N 3.19Å; E545-Y549 PolarHBondContact OE1-OH 2.96Å; Q546-Y549 PolarHBondContact O-N 3.41Å; Y549-I551 VanDerWaalsContact C-N 3.33Å; Y549-I551 PolarHBondContact O-N 2.9Å; Y549-I552 WeakPolarHBondContact O-CB 3.47Å; Y549-I552 PolarHBondContact O-N 3.35Å; Y549-E553 PolarHBondContact O-N 3.13Å; Y549-F580 HydrophobicContact CD1-CE1 4.24Å; Y549-F580 HydrophobicContact CD1-CZ 4.18Å; Y549-F580 AromaticContact CE1-CE1 3.79Å; Y549-F580 HydrophobicContact CE1-CE1 3.79Å; Y549-F580 HydrophobicContact CE1-CZ 4.2Å; Y549-K587 HydrophobicContact CE2-CB 4.06Å; Y549-K587 HydrophobicContact CE2-CD 4.5Å; Y549-Y588 PolarHBondContact OH-N 2.93Å; Y549-M591 HydrophobicContact CD1-CB 4.36Å; Y549-M591 HydrophobicContact CD1-CG 3.6Å; Y549-M591 HydrophobicContact CD1-SD 4.33Å; Y549-M591 HydrophobicContact CE1-CB 4.34Å; Y549-M591 HydrophobicContact CE1-CG 3.81Å; Y549-M591 HydrophobicContact CG-CG 4.36Å |
| 550 | N | 84.1 | Confident | 77.8 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 174.4 | -73 | -26 | 0 | 0 | 0 | 112.3 | Y515 F534 Q546 A547 E553 I554 | Y515-N550 WeakPolarHBondContact CE2-ND2 3.32Å; Y515-N550 PolarHBondContact OH-ND2 2.92Å; F534-N550 HydrophobicContact CD1-CB 4.36Å; F534-N550 HydrophobicContact CD2-CB 4.09Å; F534-N550 HydrophobicContact CE1-CB 4.02Å; F534-N550 WeakPolarHBondContact CE1-ND2 3.45Å; F534-N550 HydrophobicContact CE2-CB 3.72Å; F534-N550 HydrophobicContact CG-CB 4.4Å; F534-N550 HydrophobicContact CZ-CB 3.65Å; F534-N550 WeakPolarHBondContact CZ-ND2 3.5Å; Q546-N550 PolarHBondContact O-N 2.87Å; Q546-N550 PolarHBondContact O-ND2 2.98Å; A547-N550 PolarHBondContact O-N 2.9Å; N550-E553 PolarHBondContact O-N 2.92Å; N550-I554 WeakPolarHBondContact O-CB 3.45Å; N550-I554 WeakPolarHBondContact O-CG1 3.46Å; N550-I554 PolarHBondContact O-N 3.47Å |
| 551 | I | 82.1 | Confident | 76.5 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 173 | -73.7 | 159.6 | 0 | 0 | 0 | 110 | L531 F534 A547 T548 Y549 E553 I554 L555 | L531-I551 HydrophobicContact CD2-CB 4.35Å; L531-I551 HydrophobicContact CD2-CG1 4.21Å; L531-I551 HydrophobicContact CD2-CG2 4Å; F534-I551 HydrophobicContact CB-CD1 3.74Å; F534-I551 HydrophobicContact CB-CG1 3.52Å; F534-I551 HydrophobicContact CG-CG1 4.38Å; A547-I551 WeakPolarHBondContact O-CD1 3.29Å; A547-I551 VanDerWaalsContact O-CG1 3.22Å; A547-I551 WeakPolarHBondContact O-CG1 3.48Å; A547-I551 PolarHBondContact O-N 3.46Å; T548-I551 WeakPolarHBondContact O-CB 3.49Å; T548-I551 PolarHBondContact O-N 3.28Å; Y549-I551 VanDerWaalsContact C-N 3.33Å; Y549-I551 PolarHBondContact O-N 2.9Å; I551-E553 PolarHBondContact O-N 2.68Å; I551-I554 PolarHBondContact O-N 2.84Å; I551-L555 HydrophobicContact CG2-CD1 3.65Å; I551-L555 HydrophobicContact CG2-CG 4.17Å; I551-L555 WeakPolarHBondContact O-CB 3.39Å; I551-L555 WeakPolarHBondContact O-CG 3.16Å; I551-L555 PolarHBondContact O-N 3.47Å |
| 552 | I | 77.4 | Confident | 75 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -51.1 | 175.6 | -71.3 | 170.5 | 0 | 0 | 0 | 110.1 | T548 Y549 I554 L555 L556 A576 F580 M591 L595 | T548-I552 WeakPolarHBondContact O-CG1 3.45Å; T548-I552 PolarHBondContact O-N 2.79Å; Y549-I552 WeakPolarHBondContact O-CB 3.47Å; Y549-I552 PolarHBondContact O-N 3.35Å; I552-I554 VanDerWaalsContact C-N 3.29Å; I552-I554 PolarHBondContact O-N 2.88Å; I552-L555 PolarHBondContact O-N 3.23Å; I552-L555 VanDerWaalsContact O-N 3.1Å; I552-L556 HydrophobicContact CG2-CD1 3.54Å; I552-L556 HydrophobicContact CG2-CG 3.93Å; I552-L556 WeakPolarHBondContact O-CB 3.33Å; I552-L556 WeakPolarHBondContact O-CG 3.45Å; I552-L556 PolarHBondContact O-N 3.42Å; I552-A576 HydrophobicContact CG1-CB 4.24Å; I552-F580 HydrophobicContact CD1-CD2 4.16Å; I552-F580 HydrophobicContact CD1-CE1 4.35Å; I552-F580 HydrophobicContact CD1-CE2 3.24Å; I552-F580 HydrophobicContact CD1-CZ 3.32Å; I552-F580 HydrophobicContact CG1-CE2 4.08Å; I552-F580 HydrophobicContact CG1-CZ 4.38Å; I552-M591 HydrophobicContact CD1-CB 4.34Å; I552-M591 HydrophobicContact CG2-SD 4.35Å; I552-L595 HydrophobicContact CD1-CD1 3.95Å; I552-L595 HydrophobicContact CG1-CD1 4.39Å; I552-L595 HydrophobicContact CG1-CD2 4.41Å; I552-L595 HydrophobicContact CG2-CD1 4.46Å; I552-L595 HydrophobicContact CG2-CD2 3.8Å; I552-L595 HydrophobicContact CG2-CG 3.94Å |
| 553 | E | 78.8 | Confident | 73.2 | Confident | 35 Ų | 35 | 32 Ų | 32 | 16% | 0.164 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.6 | -38.9 | -178.7 | -72.2 | -170.3 | 171.2 | 0 | 0 | 112.8 | Y549 N550 I551 L556 N557 W664 | Y549-E553 PolarHBondContact O-N 3.13Å; N550-E553 PolarHBondContact O-N 2.92Å; I551-E553 PolarHBondContact O-N 2.68Å; E553-L556 PolarHBondContact O-N 3.46Å; E553-N557 PolarHBondContact O-N 3.17Å; E553-W664 PolarHBondContact OE1-NE1 3.29Å |
| 554 | I | 78.1 | Confident | 71.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | 174.5 | -66.6 | 167.1 | 0 | 0 | 0 | 110.9 | W522 A530 L531 F534 N550 I551 I552 L556 N557 P558 | W522-I554 HydrophobicContact CB-CD1 4.25Å; W522-I554 HydrophobicContact CD2-CD1 3.98Å; W522-I554 HydrophobicContact CD2-CG1 3.61Å; W522-I554 HydrophobicContact CE3-CB 4.47Å; W522-I554 HydrophobicContact CE3-CD1 4.02Å; W522-I554 HydrophobicContact CE3-CG1 3.6Å; W522-I554 HydrophobicContact CE3-CG2 4.2Å; W522-I554 HydrophobicContact CG-CD1 4.09Å; W522-I554 HydrophobicContact CG-CG1 4.16Å; W522-I554 HydrophobicContact CH2-CG1 4.23Å; W522-I554 HydrophobicContact CZ2-CG1 4.21Å; W522-I554 HydrophobicContact CZ3-CB 4.38Å; W522-I554 HydrophobicContact CZ3-CG1 3.92Å; W522-I554 HydrophobicContact CZ3-CG2 3.99Å; A530-I554 HydrophobicContact CB-CD1 3.67Å; L531-I554 HydrophobicContact CD1-CG2 4.14Å; L531-I554 HydrophobicContact CD2-CB 4.03Å; L531-I554 HydrophobicContact CD2-CD1 4.45Å; L531-I554 HydrophobicContact CD2-CG2 3.81Å; L531-I554 HydrophobicContact CG-CG2 3.82Å; F534-I554 HydrophobicContact CD2-CD1 3.69Å; F534-I554 HydrophobicContact CE2-CD1 3.55Å; N550-I554 WeakPolarHBondContact O-CB 3.45Å; N550-I554 WeakPolarHBondContact O-CG1 3.46Å; N550-I554 PolarHBondContact O-N 3.47Å; I551-I554 PolarHBondContact O-N 2.84Å; I552-I554 VanDerWaalsContact C-N 3.29Å; I552-I554 PolarHBondContact O-N 2.88Å; I554-L556 VanDerWaalsContact C-N 3.29Å; I554-L556 PolarHBondContact O-N 3.43Å; I554-N557 CarbonylContact O-C 3.56Å; I554-N557 PolarHBondContact O-N 3.33Å; I554-P558 WeakPolarHBondContact O-CA 3.46Å; I554-P558 WeakPolarHBondContact O-CB 3.48Å; I554-P558 VanDerWaalsContact O-CD 3.24Å; I554-P558 WeakPolarHBondContact O-CD 3.49Å |
| 555 | L | 72.3 | Confident | 68.5 | Low | 36 Ų | 36 | 38.8 Ų | 38.8 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -32 | 178.5 | -69 | 174 | 0 | 0 | 0 | 112.1 | L531 I551 I552 N557 Q572 | L531-L555 HydrophobicContact CD1-CD2 4.15Å; L531-L555 HydrophobicContact CD2-CD2 4.29Å; L531-L555 HydrophobicContact CD2-CG 4.29Å; I551-L555 HydrophobicContact CG2-CD1 3.65Å; I551-L555 HydrophobicContact CG2-CG 4.17Å; I551-L555 WeakPolarHBondContact O-CB 3.39Å; I551-L555 WeakPolarHBondContact O-CG 3.16Å; I551-L555 PolarHBondContact O-N 3.47Å; I552-L555 PolarHBondContact O-N 3.23Å; I552-L555 VanDerWaalsContact O-N 3.1Å; L555-N557 VanDerWaalsContact C-N 3.29Å; L555-Q572 HydrophobicContact CD2-CB 4.44Å |
| 556 | L | 70.5 | Confident | 66.3 | Low | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -24.6 | 174.5 | -69.9 | 172.8 | 0 | 0 | 0 | 112.7 | I552 E553 I554 F594 L595 A598 | I552-L556 HydrophobicContact CG2-CD1 3.54Å; I552-L556 HydrophobicContact CG2-CG 3.93Å; I552-L556 WeakPolarHBondContact O-CB 3.33Å; I552-L556 WeakPolarHBondContact O-CG 3.45Å; I552-L556 PolarHBondContact O-N 3.42Å; E553-L556 PolarHBondContact O-N 3.46Å; I554-L556 VanDerWaalsContact C-N 3.29Å; I554-L556 PolarHBondContact O-N 3.43Å; L556-F594 HydrophobicContact CD1-CB 3.65Å; L556-F594 WeakPolarHBondContact CD2-O 3.42Å; L556-L595 HydrophobicContact CD2-CD2 4.24Å; L556-A598 HydrophobicContact CD2-CB 3.32Å |
| 557 | N | 70.3 | Confident | 64 | Low | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | trans | -154.1 | 67.3 | -176.7 | -171.5 | 7.5 | 0 | 0 | 0 | 113 | W522 E553 I554 L555 D559 N560 K561 I563 | W522-N557 WeakPolarHBondContact CH2-O 3.39Å; E553-N557 PolarHBondContact O-N 3.17Å; I554-N557 CarbonylContact O-C 3.56Å; I554-N557 PolarHBondContact O-N 3.33Å; L555-N557 VanDerWaalsContact C-N 3.29Å; N557-D559 VanDerWaalsContact C-N 3.29Å; N557-D559 PolarHBondContact O-N 3.49Å; N557-N560 VanDerWaalsContact ND2-C 3.34Å; N557-N560 PolarHBondContact O-N 3.24Å; N557-N560 VanDerWaalsContact OD1-C 3.3Å; N557-N560 WeakPolarHBondContact OD1-CA 3.41Å; N557-N560 PolarHBondContact OD1-N 3.01Å; N557-K561 PolarHBondContact ND2-O 2.93Å; N557-K561 PolarHBondContact OD1-N 2.96Å; N557-K561 PolarHBondContact OD1-O 3.49Å; N557-I563 HydrophobicContact CB-CD1 4.11Å; N557-I563 HydrophobicContact CB-CG1 3.89Å | ||
| 558 | P | 63.1 | Low | 61.7 | Low | 25 Ų | 25 | 48.4 Ų | 48.4 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -21.7 | -171.2 | 28 | -35.2 | 0 | 0 | 0 | 113.5 | S527 I554 N560 W568 | S527-P558 WeakPolarHBondContact CB-O 3.24Å; S527-P558 PolarHBondContact OG-O 3Å; I554-P558 WeakPolarHBondContact O-CA 3.46Å; I554-P558 WeakPolarHBondContact O-CB 3.48Å; I554-P558 VanDerWaalsContact O-CD 3.24Å; I554-P558 WeakPolarHBondContact O-CD 3.49Å; P558-N560 PolarHBondContact O-N 3.35Å; P558-W568 HydrophobicContact CB-CH2 4.48Å; P558-W568 HydrophobicContact CG-CE3 4.31Å; P558-W568 HydrophobicContact CG-CH2 2.98Å; P558-W568 HydrophobicContact CG-CZ2 3.93Å; P558-W568 HydrophobicContact CG-CZ3 3.18Å |
| 559 | D | 61.5 | Low | 59.8 | Low | 104 Ų | 104 | 54.3 Ų | 54.3 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.6 | 172.6 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | N557 K561 | N557-D559 VanDerWaalsContact C-N 3.29Å; N557-D559 PolarHBondContact O-N 3.49Å; D559-K561 HydrophobicContact CB-CB 4.12Å; D559-K561 HydrophobicContact CB-CD 3.95Å; D559-K561 HydrophobicContact CB-CG 3.88Å; D559-K561 PolarHBondContact O-N 3.41Å |
| 560 | N | 59.8 | Low | 57.9 | Low | 43 Ų | 43 | 60.6 Ų | 60.6 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | trans | 56.1 | 10.4 | -167.4 | -135.8 | -2.1 | 0 | 0 | 0 | 112.4 | W522 N557 P558 K701 | W522-N560 HydrophobicContact CH2-CB 3.94Å; W522-N560 HydrophobicContact CZ2-CB 4.39Å; W522-N560 WeakPolarHBondContact CZ2-OD1 3.31Å; N557-N560 VanDerWaalsContact ND2-C 3.34Å; N557-N560 PolarHBondContact O-N 3.24Å; N557-N560 VanDerWaalsContact OD1-C 3.3Å; N557-N560 WeakPolarHBondContact OD1-CA 3.41Å; N557-N560 PolarHBondContact OD1-N 3.01Å; P558-N560 PolarHBondContact O-N 3.35Å; N560-K701 VanDerWaalsContact CG-NZ 3.29Å; N560-K701 WeakPolarHBondContact ND2-CE 3.4Å; N560-K701 WeakPolarHBondContact O-CE 3.46Å; N560-K701 PolarHBondContact O-NZ 2.87Å; N560-K701 WeakPolarHBondContact OD1-CE 3.45Å; N560-K701 PolarHBondContact OD1-NZ 3.05Å | ||
| 561 | K | 57.8 | Low | 56.1 | Low | 117 Ų | 117 | 66.5 Ų | 66.5 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | trans | -74 | 130.7 | 178.4 | -73.7 | 175.3 | 179.9 | 174.8 | 0 | 109.3 | N557 D559 I563 D736 | N557-K561 PolarHBondContact ND2-O 2.93Å; N557-K561 PolarHBondContact OD1-N 2.96Å; N557-K561 PolarHBondContact OD1-O 3.49Å; D559-K561 HydrophobicContact CB-CB 4.12Å; D559-K561 HydrophobicContact CB-CD 3.95Å; D559-K561 HydrophobicContact CB-CG 3.88Å; D559-K561 PolarHBondContact O-N 3.41Å; K561-I563 PolarHBondContact O-N 3.41Å; K561-D736 IonicContact NZ-OD2 3.05Å; K561-D736 PolarHBondContact NZ-OD2 3.46Å | ||
| 562 | V | 51.1 | Low | 54.6 | Low | 19 Ų | 19 | 70.6 Ų | 70.6 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | trans | -53.7 | 111.5 | -172.9 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | G564 R637 L671 Y705 | V562-G564 PolarHBondContact O-N 3.28Å; V562-G564 VanDerWaalsContact O-N 3.09Å; V562-R637 VanDerWaalsContact CG1-CZ 3.42Å; V562-R637 PolarHBondContact O-NH2 3.19Å; V562-L671 HydrophobicContact CG1-CD2 3.19Å; V562-L671 HydrophobicContact CG1-CG 3.95Å; V562-Y705 WeakPolarHBondContact CG2-OH 3.25Å | ||
| 563 | I | 45.3 | Very low | 53.4 | Low | 44 Ų | 44 | 72.2 Ų | 72.2 | 23% | 0.226 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -43 | 114.9 | -172.3 | -60.2 | 172 | 0 | 0 | 0 | 110 | N557 K561 R637 | N557-I563 HydrophobicContact CB-CD1 4.11Å; N557-I563 HydrophobicContact CB-CG1 3.89Å; K561-I563 PolarHBondContact O-N 3.41Å; I563-R637 PolarHBondContact O-NE 3.4Å |
| 564 | G | 38.4 | Very low | 52 | Low | 50 Ų | 50 | 76 Ų | 76 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | trans | 169.4 | 9.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | V562 | V562-G564 PolarHBondContact O-N 3.28Å; V562-G564 VanDerWaalsContact O-N 3.09Å | ||
| 565 | S | 31 | Very low | 50.6 | Low | 111 Ų | 111 | 83 Ų | 83 | 78% | 0.776 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -140.1 | -16.3 | 179 | 58.3 | 0 | 0 | 0 | 0 | 119.2 | ||
| 566 | E | 34.9 | Very low | 49.6 | Very low | 166 Ų | 166 | 81.9 Ų | 81.9 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | trans | -145.2 | 140.3 | -177.2 | -62.9 | -178.3 | 178.1 | 0 | 0 | 112.6 | W568 | E566-W568 PolarHBondContact O-NE1 3.33Å; E566-W568 VanDerWaalsContact O-NE1 3.07Å | ||
| 567 | A | 34.9 | Very low | 48.7 | Very low | 84 Ų | 84 | 84.6 Ų | 84.6 | 69% | 0.694 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -98.9 | 139.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 568 | W | 39.1 | Very low | 47.6 | Very low | 87 Ų | 87 | 89.5 Ų | 89.5 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -104 | 152.9 | -161.1 | -63.6 | 67 | 0 | 0 | 0 | 114.5 | P558 E566 K600 | P558-W568 HydrophobicContact CB-CH2 4.48Å; P558-W568 HydrophobicContact CG-CE3 4.31Å; P558-W568 HydrophobicContact CG-CH2 2.98Å; P558-W568 HydrophobicContact CG-CZ2 3.93Å; P558-W568 HydrophobicContact CG-CZ3 3.18Å; E566-W568 PolarHBondContact O-NE1 3.33Å; E566-W568 VanDerWaalsContact O-NE1 3.07Å; W568-K600 WeakPolarHBondContact O-CE 3.14Å; W568-K600 WeakPolarHBondContact O-CG 3.37Å |
| 569 | E | 42.1 | Very low | 46.9 | Very low | 151 Ų | 151 | 97.7 Ų | 97.7 | 71% | 0.706 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 147.7 | 180 | -69.7 | -177.8 | 157.3 | 0 | 0 | 114 | D571 | E569-D571 PolarHBondContact O-N 3.02Š|
| 570 | K | 43.8 | Very low | 46.6 | Very low | 145 Ų | 145 | 94.3 Ų | 94.3 | 63% | 0.63 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.7 | -164.6 | -79.3 | -179.4 | 172 | -177 | 0 | 115.7 | Q572 L573 | K570-Q572 PolarHBondContact O-N 2.94Å; K570-L573 PolarHBondContact O-N 2.88Å |
| 571 | D | 46.4 | Very low | 46.2 | Very low | 133 Ų | 133 | 100.2 Ų | 100.2 | 71% | 0.711 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -75.3 | -27.1 | -164.2 | -65.9 | -16.2 | 0 | 0 | 0 | 113.3 | E569 | E569-D571 PolarHBondContact O-N 3.02Å |
| 572 | Q | 51 | Low | 45.9 | Very low | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -79.3 | -27.9 | 178.1 | -65.7 | -178.6 | -0.6 | 0 | 0 | 113.1 | L555 K570 | L555-Q572 HydrophobicContact CD2-CB 4.44Å; K570-Q572 PolarHBondContact O-N 2.94Å |
| 573 | L | 50.9 | Low | 46.1 | Very low | 36 Ų | 36 | 109.3 Ų | 109.3 | 19% | 0.188 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -71.9 | -34.9 | 177.3 | -101.5 | 104.3 | 0 | 0 | 0 | 112.4 | K570 E575 A576 D577 L595 A598 | K570-L573 PolarHBondContact O-N 2.88Å; L573-E575 VanDerWaalsContact C-N 3.31Å; L573-E575 PolarHBondContact O-N 2.93Å; L573-A576 WeakPolarHBondContact O-CB 3.37Å; L573-A576 PolarHBondContact O-N 3.4Å; L573-A576 VanDerWaalsContact O-N 3.16Å; L573-D577 PolarHBondContact O-N 2.87Å; L573-L595 HydrophobicContact CD2-CB 4.24Å; L573-L595 HydrophobicContact CD2-CD2 4.11Å; L573-L595 HydrophobicContact CG-CD2 4.24Å; L573-A598 HydrophobicContact CD1-CB 4.44Å |
| 574 | H | 50.5 | Low | 46.4 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 53% | 0.528 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.8 | -34.3 | -177.8 | -109.8 | -45.1 | 0 | 0 | 0 | 112.9 | A576 D577 L578 | H574-A576 VanDerWaalsContact C-N 3.32Å; H574-D577 PolarHBondContact O-N 3.27Å; H574-L578 HydrophobicContact CB-CD1 4.5Å; H574-L578 WeakPolarHBondContact O-CB 3.43Å; H574-L578 WeakPolarHBondContact O-CD1 3.24Å; H574-L578 WeakPolarHBondContact O-CG 3.25Å; H574-L578 PolarHBondContact O-N 3.41Å; H574-L578 VanDerWaalsContact O-N 3.14Å |
| 575 | E | 48.1 | Very low | 47.9 | Very low | 147 Ų | 147 | 115.5 Ų | 115.5 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.9 | -30.7 | 175.7 | -74.8 | -162.2 | 156.1 | 0 | 0 | 113.2 | L573 | L573-E575 VanDerWaalsContact C-N 3.31Å; L573-E575 PolarHBondContact O-N 2.93Å |
| 576 | A | 50.6 | Low | 50 | Low | 12 Ų | 12 | 112.5 Ų | 112.5 | 10% | 0.099 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -68.6 | -58.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.3 | I552 L573 H574 L578 F580 L595 | I552-A576 HydrophobicContact CG1-CB 4.24Å; L573-A576 WeakPolarHBondContact O-CB 3.37Å; L573-A576 PolarHBondContact O-N 3.4Å; L573-A576 VanDerWaalsContact O-N 3.16Å; H574-A576 VanDerWaalsContact C-N 3.32Å; A576-L578 VanDerWaalsContact C-N 3.33Å; A576-L578 PolarHBondContact O-N 3.41Å; A576-L578 VanDerWaalsContact O-N 3.16Å; A576-F580 WeakPolarHBondContact O-CD2 3.34Å; A576-L595 HydrophobicContact CB-CD1 4.43Å; A576-L595 HydrophobicContact CB-CD2 4.37Å |
| 577 | D | 52 | Low | 52 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.6 | -34.6 | -172.3 | -77.1 | -16.4 | 0 | 0 | 0 | 115.4 | L573 H574 R579 | L573-D577 PolarHBondContact O-N 2.87Å; H574-D577 PolarHBondContact O-N 3.27Å; D577-R579 VanDerWaalsContact C-N 3.33Å; D577-R579 PolarHBondContact O-N 3.09Å |
| 578 | L | 47.1 | Very low | 53.9 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -15.1 | -167.2 | -85.9 | 159.3 | 0 | 0 | 0 | 115.7 | H574 A576 | H574-L578 HydrophobicContact CB-CD1 4.5Å; H574-L578 WeakPolarHBondContact O-CB 3.43Å; H574-L578 WeakPolarHBondContact O-CD1 3.24Å; H574-L578 WeakPolarHBondContact O-CG 3.25Å; H574-L578 PolarHBondContact O-N 3.41Å; H574-L578 VanDerWaalsContact O-N 3.14Å; A576-L578 VanDerWaalsContact C-N 3.33Å; A576-L578 PolarHBondContact O-N 3.41Å; A576-L578 VanDerWaalsContact O-N 3.16Å |
| 579 | R | 49 | Very low | 55.8 | Low | 197 Ų | 197 | 105 Ų | 105 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 0.1 | -177 | -67.5 | -171.5 | 179.3 | -169.7 | 1.4 | 115.2 | D577 | D577-R579 VanDerWaalsContact C-N 3.33Å; D577-R579 PolarHBondContact O-N 3.09Å |
| 580 | F | 54.6 | Low | 57.8 | Low | 33 Ų | 33 | 97.8 Ų | 97.8 | 15% | 0.145 | 46% | 0.456 | C | S | . | . | trans | -82.3 | -11.2 | -173.7 | -107 | -60.9 | 0 | 0 | 0 | 113.3 | T548 Y549 I552 A576 Q582 Y588 | T548-F580 HydrophobicContact CG2-CD2 4.36Å; T548-F580 HydrophobicContact CG2-CE1 4.22Å; T548-F580 HydrophobicContact CG2-CE2 3.24Å; T548-F580 HydrophobicContact CG2-CZ 3.18Å; Y549-F580 HydrophobicContact CD1-CE1 4.24Å; Y549-F580 HydrophobicContact CD1-CZ 4.18Å; Y549-F580 AromaticContact CE1-CE1 3.79Å; Y549-F580 HydrophobicContact CE1-CE1 3.79Å; Y549-F580 HydrophobicContact CE1-CZ 4.2Å; I552-F580 HydrophobicContact CD1-CD2 4.16Å; I552-F580 HydrophobicContact CD1-CE1 4.35Å; I552-F580 HydrophobicContact CD1-CE2 3.24Å; I552-F580 HydrophobicContact CD1-CZ 3.32Å; I552-F580 HydrophobicContact CG1-CE2 4.08Å; I552-F580 HydrophobicContact CG1-CZ 4.38Å; A576-F580 WeakPolarHBondContact O-CD2 3.34Å; F580-Q582 VanDerWaalsContact C-N 3.34Å; F580-Q582 PolarHBondContact O-N 2.8Å; F580-Y588 HydrophobicContact CB-CD2 4.47Å; F580-Y588 HydrophobicContact CB-CE2 3.41Å; F580-Y588 VanDerWaalsContact CB-CE2 3.41Å; F580-Y588 AromaticContact CD1-CD2 3.52Å; F580-Y588 HydrophobicContact CD1-CD2 3.52Å; F580-Y588 AromaticContact CD1-CE2 3.32Å; F580-Y588 HydrophobicContact CD1-CE2 3.32Å; F580-Y588 HydrophobicContact CE1-CD2 4.23Å; F580-Y588 HydrophobicContact CE1-CE2 4.38Å; F580-Y588 HydrophobicContact CG-CD2 4.33Å; F580-Y588 AromaticContact CG-CE2 3.68Å; F580-Y588 HydrophobicContact CG-CE2 3.68Å; F580-Y588 WeakPolarHBondContact O-CE2 3.39Å; F580-Y588 PolarHBondContact O-OH 3.02Å | ||
| 581 | K | 51.3 | Low | 59.6 | Low | 166 Ų | 166 | 91 Ų | 91 | 72% | 0.722 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 19.8 | -162.3 | -74.5 | -173.5 | 172.5 | -179.7 | 0 | 120.9 | ||
| 582 | Q | 51.3 | Low | 61.2 | Low | 187 Ų | 187 | 89.7 Ų | 89.7 | 87% | 0.874 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.9 | 15.7 | -170.4 | -72 | -169.1 | -5.6 | 0 | 0 | 120.3 | F580 | F580-Q582 VanDerWaalsContact C-N 3.34Å; F580-Q582 PolarHBondContact O-N 2.8Å |
| 583 | K | 55.3 | Low | 62.7 | Low | 141 Ų | 141 | 85 Ų | 85 | 61% | 0.613 | 40% | 0.395 | S | S | * | . | trans | -137.7 | 129.2 | 170.1 | -68.4 | -175.9 | -179.2 | 177.8 | 0 | 112.6 | D585 | K583-D585 HydrophobicContact CB-CB 4.48Å; K583-D585 PolarHBondContact O-N 3.24Å | ||
| 584 | N | 53.4 | Low | 64.3 | Low | 161 Ų | 161 | 83.4 Ų | 83.4 | 86% | 0.861 | 39% | 0.386 | S | S | * | . | trans | -70.1 | 29.5 | 176.7 | -89.4 | -15.3 | 0 | 0 | 0 | 113.7 | ||||
| 585 | D | 69 | Low | 65.6 | Low | 62 Ų | 62 | 78.5 Ų | 78.5 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | trans | -74.6 | 148.4 | -171 | -150 | -36.9 | 0 | 0 | 0 | 112 | K583 Y588 K589 | K583-D585 HydrophobicContact CB-CB 4.48Å; K583-D585 PolarHBondContact O-N 3.24Å; D585-Y588 WeakPolarHBondContact O-CB 3.19Å; D585-Y588 PolarHBondContact O-N 2.77Å; D585-K589 PolarHBondContact O-N 3.48Å | ||
| 586 | F | 74.6 | Confident | 67.2 | Low | 48 Ų | 48 | 73.9 Ų | 73.9 | 21% | 0.211 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 177.2 | 175.1 | -85.6 | 0 | 0 | 0 | 111.2 | Y588 K589 L590 M615 V619 N625 V628 | F586-Y588 PolarHBondContact O-N 3.45Å; F586-K589 PolarHBondContact O-N 3.09Å; F586-L590 PolarHBondContact O-N 3.08Å; F586-M615 HydrophobicContact CD1-CE 4.48Å; F586-M615 HydrophobicContact CD2-CE 3.78Å; F586-M615 HydrophobicContact CE1-CE 4.25Å; F586-M615 HydrophobicContact CE2-CE 3.55Å; F586-M615 HydrophobicContact CG-CE 4.25Å; F586-M615 HydrophobicContact CZ-CE 3.82Å; F586-V619 HydrophobicContact CE2-CG2 3.69Å; F586-V619 HydrophobicContact CZ-CG2 4.15Å; F586-N625 HydrophobicContact CE1-CB 4.44Å; F586-N625 WeakPolarHBondContact CE1-ND2 3.37Å; F586-N625 HydrophobicContact CZ-CB 4.01Å; F586-N625 VanDerWaalsContact CZ-ND2 3.25Å; F586-N625 WeakPolarHBondContact CZ-ND2 3.4Å; F586-V628 HydrophobicContact CE1-CG2 4.39Å; F586-V628 HydrophobicContact CE2-CG2 4.36Å; F586-V628 HydrophobicContact CZ-CG2 3.57Å |
| 587 | K | 76.3 | Confident | 68.4 | Low | 39 Ų | 39 | 74.5 Ų | 74.5 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -34 | 179.7 | -70.5 | -175.7 | -178.8 | 174.5 | 0 | 111.2 | Y549 L590 M591 E660 W664 | Y549-K587 HydrophobicContact CE2-CB 4.06Å; Y549-K587 HydrophobicContact CE2-CD 4.5Å; K587-L590 PolarHBondContact O-N 3.4Å; K587-M591 VanDerWaalsContact O-CG 3.27Å; K587-M591 WeakPolarHBondContact O-CG 3.25Å; K587-M591 PolarHBondContact O-N 2.65Å; K587-E660 IonicContact NZ-OE2 2.65Å; K587-E660 PolarHBondContact NZ-OE2 3.37Å; K587-W664 HydrophobicContact CG-CH2 4.43Å |
| 588 | Y | 76 | Confident | 69.4 | Low | 44 Ų | 44 | 72.1 Ų | 72.1 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -55.3 | 173.4 | 179.9 | -85.7 | 0 | 0 | 0 | 112.4 | Y549 F580 D585 F586 L590 M591 E592 | Y549-Y588 PolarHBondContact OH-N 2.93Å; F580-Y588 HydrophobicContact CB-CD2 4.47Å; F580-Y588 HydrophobicContact CB-CE2 3.41Å; F580-Y588 VanDerWaalsContact CB-CE2 3.41Å; F580-Y588 AromaticContact CD1-CD2 3.52Å; F580-Y588 HydrophobicContact CD1-CD2 3.52Å; F580-Y588 AromaticContact CD1-CE2 3.32Å; F580-Y588 HydrophobicContact CD1-CE2 3.32Å; F580-Y588 HydrophobicContact CE1-CD2 4.23Å; F580-Y588 HydrophobicContact CE1-CE2 4.38Å; F580-Y588 HydrophobicContact CG-CD2 4.33Å; F580-Y588 AromaticContact CG-CE2 3.68Å; F580-Y588 HydrophobicContact CG-CE2 3.68Å; F580-Y588 WeakPolarHBondContact O-CE2 3.39Å; F580-Y588 PolarHBondContact O-OH 3.02Å; D585-Y588 WeakPolarHBondContact O-CB 3.19Å; D585-Y588 PolarHBondContact O-N 2.77Å; F586-Y588 PolarHBondContact O-N 3.45Å; Y588-L590 PolarHBondContact O-N 3.03Å; Y588-M591 PolarHBondContact O-N 3.17Å; Y588-M591 VanDerWaalsContact O-N 3.1Å; Y588-E592 PolarHBondContact O-N 2.88Å |
| 589 | K | 79.5 | Confident | 70.6 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -35.4 | -179.9 | -68.6 | 177.5 | -179.3 | 174.8 | 0 | 111.3 | D585 F586 N593 M615 | D585-K589 PolarHBondContact O-N 3.48Å; F586-K589 PolarHBondContact O-N 3.09Å; K589-N593 PolarHBondContact O-N 3.45Å; K589-N593 PolarHBondContact O-ND2 3.13Å; K589-M615 HydrophobicContact CB-CE 3.84Å; K589-M615 HydrophobicContact CB-SD 3.89Å |
| 590 | L | 83.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.7 | -177.4 | 67.3 | 0 | 0 | 0 | 111.5 | F586 K587 Y588 N593 F594 L612 M615 V628 W664 | F586-L590 PolarHBondContact O-N 3.08Å; K587-L590 PolarHBondContact O-N 3.4Å; Y588-L590 PolarHBondContact O-N 3.03Å; L590-N593 PolarHBondContact O-N 3.45Å; L590-F594 HydrophobicContact CD1-CE2 4.34Å; L590-F594 HydrophobicContact CD1-CZ 4.21Å; L590-F594 HydrophobicContact CD2-CE2 4.09Å; L590-F594 HydrophobicContact CD2-CZ 4.43Å; L590-F594 HydrophobicContact CG-CD2 4.39Å; L590-F594 HydrophobicContact CG-CE2 3.82Å; L590-F594 HydrophobicContact CG-CZ 4.17Å; L590-F594 PolarHBondContact O-N 3.25Å; L590-F594 VanDerWaalsContact O-N 3.12Å; L590-L612 HydrophobicContact CD1-CD2 3.66Å; L590-M615 HydrophobicContact CB-CE 4.02Å; L590-V628 HydrophobicContact CD1-CG2 4.04Å; L590-W664 HydrophobicContact CD2-CH2 3.85Å; L590-W664 HydrophobicContact CD2-CZ2 3.93Å; L590-W664 HydrophobicContact CD2-CZ3 4.41Å |
| 591 | M | 80.6 | Confident | 72.5 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -36.5 | -180 | -70 | -70.3 | 145.7 | 0 | 0 | 112.9 | Y549 I552 K587 Y588 N593 F594 L595 W664 | Y549-M591 HydrophobicContact CD1-CB 4.36Å; Y549-M591 HydrophobicContact CD1-CG 3.6Å; Y549-M591 HydrophobicContact CD1-SD 4.33Å; Y549-M591 HydrophobicContact CE1-CB 4.34Å; Y549-M591 HydrophobicContact CE1-CG 3.81Å; Y549-M591 HydrophobicContact CG-CG 4.36Å; I552-M591 HydrophobicContact CD1-CB 4.34Å; I552-M591 HydrophobicContact CG2-SD 4.35Å; K587-M591 VanDerWaalsContact O-CG 3.27Å; K587-M591 WeakPolarHBondContact O-CG 3.25Å; K587-M591 PolarHBondContact O-N 2.65Å; Y588-M591 PolarHBondContact O-N 3.17Å; Y588-M591 VanDerWaalsContact O-N 3.1Å; M591-N593 VanDerWaalsContact C-N 3.28Å; M591-N593 PolarHBondContact O-N 2.87Å; M591-F594 HydrophobicContact CE-CD2 3.72Å; M591-F594 HydrophobicContact CE-CE2 3.65Å; M591-F594 WeakPolarHBondContact O-CB 3.28Å; M591-F594 PolarHBondContact O-N 3.06Å; M591-F594 VanDerWaalsContact O-N 3.1Å; M591-F594 HydrophobicContact SD-CD2 3.73Å; M591-F594 HydrophobicContact SD-CE2 4.29Å; M591-L595 PolarHBondContact O-N 3.39Å; M591-W664 HydrophobicContact CE-CZ2 3.9Å |
| 592 | E | 81.2 | Confident | 73.7 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 172.1 | -175.1 | 179.4 | -175.5 | 0 | 0 | 111.4 | Y588 L595 L596 | Y588-E592 PolarHBondContact O-N 2.88Å; E592-L595 PolarHBondContact O-N 3.26Å; E592-L596 WeakPolarHBondContact O-CB 3.41Å; E592-L596 PolarHBondContact O-N 2.83Å |
| 593 | N | 83.1 | Confident | 75.3 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.1 | -32.4 | 175.5 | -73.2 | -65.4 | 0 | 0 | 0 | 112.7 | K589 L590 M591 L596 L597 N611 L612 | K589-N593 PolarHBondContact O-N 3.45Å; K589-N593 PolarHBondContact O-ND2 3.13Å; L590-N593 PolarHBondContact O-N 3.45Å; M591-N593 VanDerWaalsContact C-N 3.28Å; M591-N593 PolarHBondContact O-N 2.87Å; N593-L596 PolarHBondContact O-N 2.82Å; N593-L597 VanDerWaalsContact O-CG 3.32Å; N593-L597 WeakPolarHBondContact O-CG 3.48Å; N593-L597 PolarHBondContact O-N 3.1Å; N593-L597 VanDerWaalsContact O-N 3.12Å; N593-N611 WeakPolarHBondContact OD1-CB 3.5Å; N593-N611 PolarHBondContact OD1-ND2 2.89Å; N593-L612 HydrophobicContact CB-CD1 4.42Å; N593-L612 HydrophobicContact CB-CD2 4.01Å; N593-L612 HydrophobicContact CB-CG 4.07Å |
| 594 | F | 83 | Confident | 76.6 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 172.2 | -68.8 | -41.7 | 0 | 0 | 0 | 112.5 | L556 L590 M591 L596 L597 A598 L630 G631 | L556-F594 HydrophobicContact CD1-CB 3.65Å; L556-F594 WeakPolarHBondContact CD2-O 3.42Å; L590-F594 HydrophobicContact CD1-CE2 4.34Å; L590-F594 HydrophobicContact CD1-CZ 4.21Å; L590-F594 HydrophobicContact CD2-CE2 4.09Å; L590-F594 HydrophobicContact CD2-CZ 4.43Å; L590-F594 HydrophobicContact CG-CD2 4.39Å; L590-F594 HydrophobicContact CG-CE2 3.82Å; L590-F594 HydrophobicContact CG-CZ 4.17Å; L590-F594 PolarHBondContact O-N 3.25Å; L590-F594 VanDerWaalsContact O-N 3.12Å; M591-F594 HydrophobicContact CE-CD2 3.72Å; M591-F594 HydrophobicContact CE-CE2 3.65Å; M591-F594 WeakPolarHBondContact O-CB 3.28Å; M591-F594 PolarHBondContact O-N 3.06Å; M591-F594 VanDerWaalsContact O-N 3.1Å; M591-F594 HydrophobicContact SD-CD2 3.73Å; M591-F594 HydrophobicContact SD-CE2 4.29Å; F594-L596 VanDerWaalsContact C-N 3.34Å; F594-L597 HydrophobicContact CD1-CD1 4.36Å; F594-L597 WeakPolarHBondContact O-CB 3.32Å; F594-L597 PolarHBondContact O-N 3.19Å; F594-A598 PolarHBondContact O-N 3.46Å; F594-L630 HydrophobicContact CZ-CD2 4.3Å; F594-L630 HydrophobicContact CZ-CG 4.35Å; F594-G631 VanDerWaalsContact CE1-CA 3.42Å |
| 595 | L | 78.3 | Confident | 78 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 172.7 | -73.2 | 168.5 | 0 | 0 | 0 | 111.6 | I552 L556 L573 A576 M591 E592 L597 A598 S599 | I552-L595 HydrophobicContact CD1-CD1 3.95Å; I552-L595 HydrophobicContact CG1-CD1 4.39Å; I552-L595 HydrophobicContact CG1-CD2 4.41Å; I552-L595 HydrophobicContact CG2-CD1 4.46Å; I552-L595 HydrophobicContact CG2-CD2 3.8Å; I552-L595 HydrophobicContact CG2-CG 3.94Å; L556-L595 HydrophobicContact CD2-CD2 4.24Å; L573-L595 HydrophobicContact CD2-CB 4.24Å; L573-L595 HydrophobicContact CD2-CD2 4.11Å; L573-L595 HydrophobicContact CG-CD2 4.24Å; A576-L595 HydrophobicContact CB-CD1 4.43Å; A576-L595 HydrophobicContact CB-CD2 4.37Å; M591-L595 PolarHBondContact O-N 3.39Å; E592-L595 PolarHBondContact O-N 3.26Å; L595-L597 VanDerWaalsContact C-N 3.25Å; L595-L597 PolarHBondContact O-N 3.2Å; L595-A598 PolarHBondContact O-N 2.92Å; L595-S599 PolarHBondContact O-N 2.77Å |
| 596 | L | 80.6 | Confident | 78.9 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57 | -40.4 | 175.2 | -174 | 61.7 | 0 | 0 | 0 | 111.4 | E592 N593 F594 A598 S599 A604 K607 A608 | E592-L596 WeakPolarHBondContact O-CB 3.41Å; E592-L596 PolarHBondContact O-N 2.83Å; N593-L596 PolarHBondContact O-N 2.82Å; F594-L596 VanDerWaalsContact C-N 3.34Å; L596-A598 VanDerWaalsContact C-N 3.29Å; L596-A598 PolarHBondContact O-N 2.87Å; L596-S599 WeakPolarHBondContact O-CB 3.5Å; L596-S599 PolarHBondContact O-N 3.37Å; L596-S599 VanDerWaalsContact O-N 3.16Å; L596-S599 PolarHBondContact O-OG 2.86Å; L596-A604 HydrophobicContact CD1-CB 3.89Å; L596-A604 HydrophobicContact CG-CB 3.95Å; L596-A604 VanDerWaalsContact O-CB 3.29Å; L596-A604 WeakPolarHBondContact O-CB 3.4Å; L596-K607 HydrophobicContact CD2-CB 3.95Å; L596-A608 HydrophobicContact CD2-CB 4.06Å; L596-A608 HydrophobicContact CG-CB 4.48Å |
| 597 | L | 77 | Confident | 79.6 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -25.5 | 177.5 | -70.3 | 166.6 | 0 | 0 | 0 | 114.3 | N593 F594 L595 P605 A608 R634 V635 I638 | N593-L597 VanDerWaalsContact O-CG 3.32Å; N593-L597 WeakPolarHBondContact O-CG 3.48Å; N593-L597 PolarHBondContact O-N 3.1Å; N593-L597 VanDerWaalsContact O-N 3.12Å; F594-L597 HydrophobicContact CD1-CD1 4.36Å; F594-L597 WeakPolarHBondContact O-CB 3.32Å; F594-L597 PolarHBondContact O-N 3.19Å; L595-L597 VanDerWaalsContact C-N 3.25Å; L595-L597 PolarHBondContact O-N 3.2Å; L597-P605 HydrophobicContact CD2-CB 4.3Å; L597-A608 HydrophobicContact CD2-CB 3.7Å; L597-A608 HydrophobicContact CG-CB 3.86Å; L597-R634 HydrophobicContact CD1-CB 4.44Å; L597-V635 HydrophobicContact CD1-CG2 3.62Å; L597-V635 HydrophobicContact CD2-CB 4.19Å; L597-V635 HydrophobicContact CD2-CG1 4.29Å; L597-V635 HydrophobicContact CD2-CG2 3.54Å; L597-V635 HydrophobicContact CG-CG2 4.13Å; L597-I638 HydrophobicContact CB-CD1 4.27Å; L597-I638 HydrophobicContact CD2-CD1 4.05Å |
| 598 | A | 72 | Confident | 80.1 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -83.7 | -12.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L556 L573 F594 L595 L596 | L556-A598 HydrophobicContact CD2-CB 3.32Å; L573-A598 HydrophobicContact CD1-CB 4.44Å; F594-A598 PolarHBondContact O-N 3.46Å; L595-A598 PolarHBondContact O-N 2.92Å; L596-A598 VanDerWaalsContact C-N 3.29Å; L596-A598 PolarHBondContact O-N 2.87Å |
| 599 | S | 73.4 | Confident | 80.7 | Confident | 35 Ų | 35 | 52.9 Ų | 52.9 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -65.7 | 152 | 177.4 | 76.2 | 0 | 0 | 0 | 0 | 112.2 | L595 L596 D601 A604 | L595-S599 PolarHBondContact O-N 2.77Å; L596-S599 WeakPolarHBondContact O-CB 3.5Å; L596-S599 PolarHBondContact O-N 3.37Å; L596-S599 VanDerWaalsContact O-N 3.16Å; L596-S599 PolarHBondContact O-OG 2.86Å; S599-D601 PolarHBondContact O-N 2.83Å; S599-D601 VanDerWaalsContact O-N 3.16Å; S599-A604 VanDerWaalsContact OG-CB 3.26Å; S599-A604 WeakPolarHBondContact OG-CB 3.3Å |
| 600 | K | 66 | Low | 81.2 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -72.3 | 0.7 | 176.2 | -64.7 | -169.5 | -176.5 | -172.6 | 0 | 113.3 | W568 K602 | W568-K600 WeakPolarHBondContact O-CE 3.14Å; W568-K600 WeakPolarHBondContact O-CG 3.37Å; K600-K602 PolarHBondContact O-N 2.86Å |
| 601 | D | 77.5 | Confident | 81.4 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | trans | -77.4 | 122.1 | -172.6 | -78.6 | -3.4 | 0 | 0 | 0 | 111.3 | S599 T603 A604 | S599-D601 PolarHBondContact O-N 2.83Å; S599-D601 VanDerWaalsContact O-N 3.16Å; D601-T603 PolarHBondContact O-N 2.92Å; D601-T603 VanDerWaalsContact O-N 3.12Å; D601-A604 HydrophobicContact CB-CB 3.96Å; D601-A604 WeakPolarHBondContact O-CB 3.44Å; D601-A604 PolarHBondContact O-N 3.39Å | ||
| 602 | K | 76.5 | Confident | 81.6 | Confident | 201 Ų | 201 | 55.5 Ų | 55.5 | 87% | 0.874 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.4 | -179.9 | -65.1 | -174.1 | 179.5 | 179.2 | 0 | 114.1 | K600 | K600-K602 PolarHBondContact O-N 2.86Š|
| 603 | T | 84 | Confident | 81.9 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 43% | 0.429 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11 | 178.9 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | D601 E606 K607 | D601-T603 PolarHBondContact O-N 2.92Å; D601-T603 VanDerWaalsContact O-N 3.12Å; T603-E606 PolarHBondContact O-N 3.38Å; T603-K607 WeakPolarHBondContact O-CG 3.27Å; T603-K607 PolarHBondContact O-N 3.15Å; T603-K607 VanDerWaalsContact O-N 3.12Å |
| 604 | A | 83.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L596 S599 D601 E606 K607 A608 | L596-A604 HydrophobicContact CD1-CB 3.89Å; L596-A604 HydrophobicContact CG-CB 3.95Å; L596-A604 VanDerWaalsContact O-CB 3.29Å; L596-A604 WeakPolarHBondContact O-CB 3.4Å; S599-A604 VanDerWaalsContact OG-CB 3.26Å; S599-A604 WeakPolarHBondContact OG-CB 3.3Å; D601-A604 HydrophobicContact CB-CB 3.96Å; D601-A604 WeakPolarHBondContact O-CB 3.44Å; D601-A604 PolarHBondContact O-N 3.39Å; A604-E606 VanDerWaalsContact C-N 3.32Å; A604-E606 PolarHBondContact O-N 2.88Å; A604-K607 PolarHBondContact O-N 3.14Å; A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.16Å; A604-A608 PolarHBondContact O-N 3.4Å |
| 605 | P | 83.6 | Confident | 81.8 | Confident | 18 Ų | 18 | 62 Ų | 62 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -34.5 | -178.3 | 25 | -34.5 | 0 | 0 | 0 | 112.7 | L597 L609 V635 I638 L639 | L597-P605 HydrophobicContact CD2-CB 4.3Å; P605-L609 WeakPolarHBondContact O-CB 3.49Å; P605-L609 PolarHBondContact O-N 3.05Å; P605-V635 HydrophobicContact CB-CG1 4.34Å; P605-V635 WeakPolarHBondContact O-CG1 3.46Å; P605-I638 HydrophobicContact CB-CG2 4.21Å; P605-L639 HydrophobicContact CB-CD2 3.89Å; P605-L639 HydrophobicContact CB-CG 4.19Å; P605-L639 HydrophobicContact CG-CD2 3.99Å |
| 606 | E | 87.3 | Confident | 81.7 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -72.2 | -38.8 | 176.6 | -65.7 | -178.9 | 168.9 | 0 | 0 | 112 | T603 A604 L609 N610 | T603-E606 PolarHBondContact O-N 3.38Å; A604-E606 VanDerWaalsContact C-N 3.32Å; A604-E606 PolarHBondContact O-N 2.88Å; E606-L609 WeakPolarHBondContact O-CB 3.14Å; E606-L609 PolarHBondContact O-N 3.47Å; E606-N610 PolarHBondContact O-N 3Å; E606-N610 VanDerWaalsContact O-N 3.09Å; E606-N610 PolarHBondContact O-ND2 3.05Å |
| 607 | K | 88.5 | Confident | 81.2 | Confident | 113 Ų | 113 | 67.3 Ų | 67.3 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 173.4 | -71.5 | 176.1 | -178.2 | 175.6 | 0 | 111.5 | L596 T603 A604 L609 N610 N611 | L596-K607 HydrophobicContact CD2-CB 3.95Å; T603-K607 WeakPolarHBondContact O-CG 3.27Å; T603-K607 PolarHBondContact O-N 3.15Å; T603-K607 VanDerWaalsContact O-N 3.12Å; A604-K607 PolarHBondContact O-N 3.14Å; K607-L609 VanDerWaalsContact C-N 3.29Å; K607-L609 PolarHBondContact O-N 3.09Å; K607-N610 PolarHBondContact O-N 3.09Å; K607-N611 VanDerWaalsContact O-CG 3.31Å; K607-N611 PolarHBondContact O-N 3.44Å |
| 608 | A | 87.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L596 L597 A604 N611 L612 V635 | L596-A608 HydrophobicContact CD2-CB 4.06Å; L596-A608 HydrophobicContact CG-CB 4.48Å; L597-A608 HydrophobicContact CD2-CB 3.7Å; L597-A608 HydrophobicContact CG-CB 3.86Å; A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.16Å; A604-A608 PolarHBondContact O-N 3.4Å; A608-N611 PolarHBondContact O-N 3.38Å; A608-L612 VanDerWaalsContact O-CB 3.29Å; A608-L612 WeakPolarHBondContact O-CB 3.49Å; A608-L612 WeakPolarHBondContact O-CD1 3.26Å; A608-L612 WeakPolarHBondContact O-CG 3.29Å; A608-L612 PolarHBondContact O-N 3.46Å; A608-V635 HydrophobicContact CB-CG2 4.34Å |
| 609 | L | 88.2 | Confident | 79.6 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.6 | -51.7 | 175.1 | -171.6 | 60.9 | 0 | 0 | 0 | 111.6 | P605 E606 K607 N611 L612 L613 L632 V635 Y636 L639 | P605-L609 WeakPolarHBondContact O-CB 3.49Å; P605-L609 PolarHBondContact O-N 3.05Å; E606-L609 WeakPolarHBondContact O-CB 3.14Å; E606-L609 PolarHBondContact O-N 3.47Å; K607-L609 VanDerWaalsContact C-N 3.29Å; K607-L609 PolarHBondContact O-N 3.09Å; L609-N611 VanDerWaalsContact C-N 3.34Å; L609-N611 PolarHBondContact O-N 3.14Å; L609-L612 PolarHBondContact O-N 3.05Å; L609-L613 HydrophobicContact CD1-CD1 4.32Å; L609-L613 HydrophobicContact CD1-CG 4.46Å; L609-L613 HydrophobicContact CG-CD1 4.05Å; L609-L613 WeakPolarHBondContact O-CB 3.26Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.32Å; L609-L613 PolarHBondContact O-N 3.27Å; L609-L632 HydrophobicContact CD1-CD2 3.77Å; L609-V635 HydrophobicContact CB-CG1 3.87Å; L609-V635 HydrophobicContact CD1-CB 4.46Å; L609-V635 HydrophobicContact CD1-CG1 4.05Å; L609-V635 HydrophobicContact CG-CG1 4.45Å; L609-Y636 HydrophobicContact CD1-CD1 4.41Å; L609-Y636 HydrophobicContact CD1-CE1 3.75Å; L609-Y636 HydrophobicContact CD1-CE2 4.43Å; L609-Y636 HydrophobicContact CD2-CE1 4.23Å; L609-L639 HydrophobicContact CD2-CD1 4.14Å |
| 610 | N | 89.1 | Confident | 78.2 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | -178 | -71.6 | -26 | 0 | 0 | 0 | 112 | E606 K607 R614 | E606-N610 PolarHBondContact O-N 3Å; E606-N610 VanDerWaalsContact O-N 3.09Å; E606-N610 PolarHBondContact O-ND2 3.05Å; K607-N610 PolarHBondContact O-N 3.09Å; N610-R614 VanDerWaalsContact O-CG 3.32Å; N610-R614 WeakPolarHBondContact O-CG 3.19Å; N610-R614 PolarHBondContact O-N 3.33Å; N610-R614 VanDerWaalsContact O-N 3.14Å |
| 611 | N | 87.6 | Confident | 77.2 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 176.6 | -71.3 | -11.1 | 0 | 0 | 0 | 111.9 | N593 K607 A608 L609 R614 M615 | N593-N611 WeakPolarHBondContact OD1-CB 3.5Å; N593-N611 PolarHBondContact OD1-ND2 2.89Å; K607-N611 VanDerWaalsContact O-CG 3.31Å; K607-N611 PolarHBondContact O-N 3.44Å; A608-N611 PolarHBondContact O-N 3.38Å; L609-N611 VanDerWaalsContact C-N 3.34Å; L609-N611 PolarHBondContact O-N 3.14Å; N611-R614 PolarHBondContact O-N 2.99Å; N611-M615 WeakPolarHBondContact O-CG 3.4Å; N611-M615 PolarHBondContact O-N 3.25Å |
| 612 | L | 86.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.7 | -33.9 | -179.6 | -71.6 | 168.7 | 0 | 0 | 0 | 112.5 | L590 N593 A608 L609 M615 G616 V628 L632 V635 | L590-L612 HydrophobicContact CD1-CD2 3.66Å; N593-L612 HydrophobicContact CB-CD1 4.42Å; N593-L612 HydrophobicContact CB-CD2 4.01Å; N593-L612 HydrophobicContact CB-CG 4.07Å; A608-L612 VanDerWaalsContact O-CB 3.29Å; A608-L612 WeakPolarHBondContact O-CB 3.49Å; A608-L612 WeakPolarHBondContact O-CD1 3.26Å; A608-L612 WeakPolarHBondContact O-CG 3.29Å; A608-L612 PolarHBondContact O-N 3.46Å; L609-L612 PolarHBondContact O-N 3.05Å; L612-M615 HydrophobicContact CD2-SD 4.41Å; L612-M615 PolarHBondContact O-N 3.07Å; L612-G616 PolarHBondContact O-N 2.88Å; L612-V628 HydrophobicContact CB-CG1 4.5Å; L612-V628 WeakPolarHBondContact O-CG1 3.2Å; L612-L632 HydrophobicContact CB-CD2 3.68Å; L612-L632 HydrophobicContact CB-CG 4.14Å; L612-V635 HydrophobicContact CD1-CG2 3.73Å |
| 613 | L | 85.9 | Confident | 74.4 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 172 | -73.6 | 172.1 | 0 | 0 | 0 | 111.1 | L609 M615 G616 D617 L632 | L609-L613 HydrophobicContact CD1-CD1 4.32Å; L609-L613 HydrophobicContact CD1-CG 4.46Å; L609-L613 HydrophobicContact CG-CD1 4.05Å; L609-L613 WeakPolarHBondContact O-CB 3.26Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.32Å; L609-L613 PolarHBondContact O-N 3.27Å; L613-M615 VanDerWaalsContact C-N 3.34Å; L613-M615 PolarHBondContact O-N 3.27Å; L613-G616 WeakPolarHBondContact O-CA 3.38Å; L613-G616 PolarHBondContact O-N 3.23Å; L613-D617 PolarHBondContact O-N 3.29Å; L613-L632 HydrophobicContact CD2-CD1 4.33Å; L613-L632 HydrophobicContact CD2-CD2 3.98Å; L613-L632 HydrophobicContact CG-CD2 4.03Å |
| 614 | R | 84.1 | Confident | 73.3 | Confident | 170 Ų | 170 | 75.7 Ų | 75.7 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.2 | -44 | 174.1 | -72 | 174.1 | -179 | -172.8 | -0.5 | 112.1 | N610 N611 G616 D617 D618 | N610-R614 VanDerWaalsContact O-CG 3.32Å; N610-R614 WeakPolarHBondContact O-CG 3.19Å; N610-R614 PolarHBondContact O-N 3.33Å; N610-R614 VanDerWaalsContact O-N 3.14Å; N611-R614 PolarHBondContact O-N 2.99Å; R614-G616 PolarHBondContact O-N 3Å; R614-D617 PolarHBondContact O-N 3.37Å; R614-D618 PolarHBondContact O-N 3.38Å |
| 615 | M | 80.9 | Confident | 73 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 174.9 | -72.4 | -176.8 | 69.1 | 0 | 0 | 112 | F586 K589 L590 N611 L612 L613 V619 V628 | F586-M615 HydrophobicContact CD1-CE 4.48Å; F586-M615 HydrophobicContact CD2-CE 3.78Å; F586-M615 HydrophobicContact CE1-CE 4.25Å; F586-M615 HydrophobicContact CE2-CE 3.55Å; F586-M615 HydrophobicContact CG-CE 4.25Å; F586-M615 HydrophobicContact CZ-CE 3.82Å; K589-M615 HydrophobicContact CB-CE 3.84Å; K589-M615 HydrophobicContact CB-SD 3.89Å; L590-M615 HydrophobicContact CB-CE 4.02Å; N611-M615 WeakPolarHBondContact O-CG 3.4Å; N611-M615 PolarHBondContact O-N 3.25Å; L612-M615 HydrophobicContact CD2-SD 4.41Å; L612-M615 PolarHBondContact O-N 3.07Å; L613-M615 VanDerWaalsContact C-N 3.34Å; L613-M615 PolarHBondContact O-N 3.27Å; M615-V619 VanDerWaalsContact O-CG2 3.27Å; M615-V619 WeakPolarHBondContact O-CG2 3.21Å; M615-V619 PolarHBondContact O-N 2.99Å; M615-V628 HydrophobicContact CB-CG2 4.31Å |
| 616 | G | 75 | Confident | 73 | Confident | 35 Ų | 35 | 76.8 Ų | 76.8 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L612 L613 R614 | L612-G616 PolarHBondContact O-N 2.88Å; L613-G616 WeakPolarHBondContact O-CA 3.38Å; L613-G616 PolarHBondContact O-N 3.23Å; R614-G616 PolarHBondContact O-N 3Å |
| 617 | D | 70 | Confident | 72.9 | Confident | 136 Ų | 136 | 71.1 Ų | 71.1 | 73% | 0.727 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73.9 | -33 | 177.2 | -65.6 | -25.9 | 0 | 0 | 0 | 112.1 | L613 R614 V619 | L613-D617 PolarHBondContact O-N 3.29Å; R614-D617 PolarHBondContact O-N 3.37Å; D617-V619 VanDerWaalsContact C-N 3.33Å |
| 618 | D | 59.5 | Low | 72.9 | Confident | 137 Ų | 137 | 66 Ų | 66 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.7 | -22.9 | 178.6 | -72.9 | -20.7 | 0 | 0 | 0 | 113 | R614 S620 | R614-D618 PolarHBondContact O-N 3.38Å; D618-S620 PolarHBondContact O-N 3.32Å |
| 619 | V | 56.1 | Low | 72.9 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 26% | 0.261 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -76.3 | 111.3 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | F586 M615 D617 G623 N625 | F586-V619 HydrophobicContact CE2-CG2 3.69Å; F586-V619 HydrophobicContact CZ-CG2 4.15Å; M615-V619 VanDerWaalsContact O-CG2 3.27Å; M615-V619 WeakPolarHBondContact O-CG2 3.21Å; M615-V619 PolarHBondContact O-N 2.99Å; D617-V619 VanDerWaalsContact C-N 3.33Å; V619-G623 WeakPolarHBondContact CG1-O 3.27Å; V619-N625 HydrophobicContact CG2-CB 4.5Å |
| 620 | S | 45.4 | Very low | 72.9 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | trans | -35.2 | 139.8 | 174.1 | 48.7 | 0 | 0 | 0 | 0 | 113 | D618 D622 | D618-S620 PolarHBondContact O-N 3.32Å; S620-D622 PolarHBondContact O-N 3.14Å | ||
| 621 | Q | 43.4 | Very low | 72.8 | Confident | 198 Ų | 198 | 60.9 Ų | 60.9 | 93% | 0.925 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | -4.1 | -167.5 | -69.1 | 178.5 | -22.1 | 0 | 0 | 118.9 | ||
| 622 | D | 43.9 | Very low | 72.9 | Confident | 164 Ų | 164 | 58.8 Ų | 58.8 | 88% | 0.877 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 7.2 | -166.9 | -68.9 | -27.4 | 0 | 0 | 0 | 116 | S620 | S620-D622 PolarHBondContact O-N 3.14Š|
| 623 | G | 52.5 | Low | 73 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | trans | -167.6 | 103.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | V619 N625 | V619-G623 WeakPolarHBondContact CG1-O 3.27Å; G623-N625 PolarHBondContact O-N 3.39Å | ||
| 624 | S | 60.8 | Low | 73.1 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | trans | -66.1 | 107.7 | 175.1 | 54 | 0 | 0 | 0 | 0 | 110 | V626 | S624-V626 PolarHBondContact O-N 2.91Š| ||
| 625 | N | 76.9 | Confident | 73.3 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | trans | -57.8 | 120.7 | -177.5 | -169.4 | -56.2 | 0 | 0 | 0 | 110.9 | F586 V619 G623 G627 V628 I629 | F586-N625 HydrophobicContact CE1-CB 4.44Å; F586-N625 WeakPolarHBondContact CE1-ND2 3.37Å; F586-N625 HydrophobicContact CZ-CB 4.01Å; F586-N625 VanDerWaalsContact CZ-ND2 3.25Å; F586-N625 WeakPolarHBondContact CZ-ND2 3.4Å; V619-N625 HydrophobicContact CG2-CB 4.5Å; G623-N625 PolarHBondContact O-N 3.39Å; N625-G627 PolarHBondContact O-N 2.9Å; N625-G627 PolarHBondContact OD1-N 3.16Å; N625-V628 HydrophobicContact CB-CB 4.39Å; N625-V628 HydrophobicContact CB-CG2 4.13Å; N625-V628 PolarHBondContact O-N 3.45Å; N625-V628 VanDerWaalsContact O-N 3.13Å; N625-I629 PolarHBondContact O-N 3.37Å; N625-I629 VanDerWaalsContact O-N 3.12Å | ||
| 626 | V | 84.6 | Confident | 73.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -38.2 | -175.1 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | S624 V628 I629 L630 T652 D661 W664 L665 | S624-V626 PolarHBondContact O-N 2.91Å; V626-V628 PolarHBondContact O-N 3.14Å; V626-I629 PolarHBondContact O-N 3.15Å; V626-L630 PolarHBondContact O-N 2.63Å; V626-T652 HydrophobicContact CG1-CG2 4.49Å; V626-D661 HydrophobicContact CB-CB 4.1Å; V626-D661 HydrophobicContact CG2-CB 4Å; V626-W664 HydrophobicContact CB-CB 4.44Å; V626-W664 HydrophobicContact CG1-CB 3.76Å; V626-L665 HydrophobicContact CB-CD2 4.4Å; V626-L665 HydrophobicContact CG1-CD2 3.62Å; V626-L665 HydrophobicContact CG1-CG 3.88Å; V626-L665 HydrophobicContact CG2-CD2 3.83Å; V626-L665 HydrophobicContact CG2-CG 4.25Å |
| 627 | G | 84.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N625 L630 G631 | N625-G627 PolarHBondContact O-N 2.9Å; N625-G627 PolarHBondContact OD1-N 3.16Å; G627-L630 WeakPolarHBondContact O-CB 3.3Å; G627-L630 PolarHBondContact O-N 3.44Å; G627-G631 PolarHBondContact O-N 3.31Å |
| 628 | V | 86.9 | Confident | 75 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 175.6 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | F586 L590 L612 M615 N625 V626 L630 G631 L632 | F586-V628 HydrophobicContact CE1-CG2 4.39Å; F586-V628 HydrophobicContact CE2-CG2 4.36Å; F586-V628 HydrophobicContact CZ-CG2 3.57Å; L590-V628 HydrophobicContact CD1-CG2 4.04Å; L612-V628 HydrophobicContact CB-CG1 4.5Å; L612-V628 WeakPolarHBondContact O-CG1 3.2Å; M615-V628 HydrophobicContact CB-CG2 4.31Å; N625-V628 HydrophobicContact CB-CB 4.39Å; N625-V628 HydrophobicContact CB-CG2 4.13Å; N625-V628 PolarHBondContact O-N 3.45Å; N625-V628 VanDerWaalsContact O-N 3.13Å; V626-V628 PolarHBondContact O-N 3.14Å; V628-L630 VanDerWaalsContact C-N 3.32Å; V628-L630 PolarHBondContact O-N 3.09Å; V628-G631 PolarHBondContact O-N 3.5Å; V628-L632 HydrophobicContact CG1-CD1 4.07Å; V628-L632 HydrophobicContact CG1-CG 4.31Å; V628-L632 WeakPolarHBondContact O-CG 3.32Å; V628-L632 PolarHBondContact O-N 3.14Å |
| 629 | I | 88.1 | Confident | 76.3 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.2 | -65 | 167.6 | 0 | 0 | 0 | 110.8 | N625 V626 L632 A633 C648 K651 T652 | N625-I629 PolarHBondContact O-N 3.37Å; N625-I629 VanDerWaalsContact O-N 3.12Å; V626-I629 PolarHBondContact O-N 3.15Å; I629-L632 PolarHBondContact O-N 3.2Å; I629-A633 VanDerWaalsContact O-CB 3.28Å; I629-A633 WeakPolarHBondContact O-CB 3.39Å; I629-A633 PolarHBondContact O-N 3.37Å; I629-C648 HydrophobicContact CG2-CB 4.22Å; I629-C648 WeakPolarHBondContact CG2-O 3.28Å; I629-K651 HydrophobicContact CD1-CB 4.32Å; I629-T652 HydrophobicContact CB-CG2 4.14Å; I629-T652 HydrophobicContact CD1-CG2 3.87Å; I629-T652 HydrophobicContact CG2-CG2 3.56Å |
| 630 | L | 88.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.5 | -179.1 | 60.9 | 0 | 0 | 0 | 111.5 | F594 V626 G627 V628 A633 R634 W664 E667 L671 | F594-L630 HydrophobicContact CZ-CD2 4.3Å; F594-L630 HydrophobicContact CZ-CG 4.35Å; V626-L630 PolarHBondContact O-N 2.63Å; G627-L630 WeakPolarHBondContact O-CB 3.3Å; G627-L630 PolarHBondContact O-N 3.44Å; V628-L630 VanDerWaalsContact C-N 3.32Å; V628-L630 PolarHBondContact O-N 3.09Å; L630-A633 PolarHBondContact O-N 3.41Å; L630-R634 HydrophobicContact CD1-CG 4.47Å; L630-R634 WeakPolarHBondContact O-CB 3.43Å; L630-R634 WeakPolarHBondContact O-CG 3.49Å; L630-R634 PolarHBondContact O-N 2.87Å; L630-W664 HydrophobicContact CD2-CB 4.1Å; L630-W664 HydrophobicContact CD2-CG 4.14Å; L630-E667 HydrophobicContact CD1-CB 3.98Å; L630-E667 HydrophobicContact CD2-CB 4.11Å; L630-L671 HydrophobicContact CD1-CD1 3.4Å |
| 631 | G | 87.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56 | -55.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F594 G627 V628 A633 R634 V635 | F594-G631 VanDerWaalsContact CE1-CA 3.42Å; G627-G631 PolarHBondContact O-N 3.31Å; V628-G631 PolarHBondContact O-N 3.5Å; G631-A633 VanDerWaalsContact C-N 3.28Å; G631-A633 PolarHBondContact O-N 3.03Å; G631-R634 PolarHBondContact O-N 3.19Å; G631-V635 WeakPolarHBondContact O-CG2 3.36Å; G631-V635 PolarHBondContact O-N 3.46Å |
| 632 | L | 89.1 | Confident | 82.1 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -42 | 178.4 | -69.2 | 173.6 | 0 | 0 | 0 | 111.4 | L609 L612 L613 V628 I629 V635 Y636 | L609-L632 HydrophobicContact CD1-CD2 3.77Å; L612-L632 HydrophobicContact CB-CD2 3.68Å; L612-L632 HydrophobicContact CB-CG 4.14Å; L613-L632 HydrophobicContact CD2-CD1 4.33Å; L613-L632 HydrophobicContact CD2-CD2 3.98Å; L613-L632 HydrophobicContact CG-CD2 4.03Å; V628-L632 HydrophobicContact CG1-CD1 4.07Å; V628-L632 HydrophobicContact CG1-CG 4.31Å; V628-L632 WeakPolarHBondContact O-CG 3.32Å; V628-L632 PolarHBondContact O-N 3.14Å; I629-L632 PolarHBondContact O-N 3.2Å; L632-V635 PolarHBondContact O-N 3.36Å; L632-Y636 HydrophobicContact CB-CD2 4.4Å; L632-Y636 HydrophobicContact CB-CE2 4.19Å; L632-Y636 WeakPolarHBondContact O-CB 3.47Å; L632-Y636 WeakPolarHBondContact O-CD2 3.4Å; L632-Y636 PolarHBondContact O-N 3.13Å |
| 633 | A | 88.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I629 L630 G631 R637 L649 | I629-A633 VanDerWaalsContact O-CB 3.28Å; I629-A633 WeakPolarHBondContact O-CB 3.39Å; I629-A633 PolarHBondContact O-N 3.37Å; L630-A633 PolarHBondContact O-N 3.41Å; G631-A633 VanDerWaalsContact C-N 3.28Å; G631-A633 PolarHBondContact O-N 3.03Å; A633-R637 VanDerWaalsContact O-CB 3.32Å; A633-R637 WeakPolarHBondContact O-CB 3.25Å; A633-R637 PolarHBondContact O-N 2.96Å; A633-L649 HydrophobicContact CB-CD1 4.03Å; A633-L649 HydrophobicContact CB-CD2 3.52Å; A633-L649 HydrophobicContact CB-CG 3.61Å |
| 634 | R | 87.8 | Confident | 86.1 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 174.7 | -74.1 | 174.9 | 175.6 | 176.6 | -2.6 | 111.2 | L597 L630 G631 R637 I638 E667 L671 | L597-R634 HydrophobicContact CD1-CB 4.44Å; L630-R634 HydrophobicContact CD1-CG 4.47Å; L630-R634 WeakPolarHBondContact O-CB 3.43Å; L630-R634 WeakPolarHBondContact O-CG 3.49Å; L630-R634 PolarHBondContact O-N 2.87Å; G631-R634 PolarHBondContact O-N 3.19Å; R634-R637 WeakPolarHBondContact O-CB 3.17Å; R634-R637 PolarHBondContact O-N 3.25Å; R634-I638 WeakPolarHBondContact O-CG1 3.16Å; R634-I638 PolarHBondContact O-N 2.75Å; R634-E667 IonicContact NH2-OE2 2.77Å; R634-E667 PolarHBondContact NH2-OE2 2.72Å; R634-E667 VanDerWaalsContact NH2-OE2 3.12Å; R634-L671 HydrophobicContact CG-CD1 4.21Å |
| 635 | V | 88 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -50.4 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | L597 P605 A608 L609 L612 G631 L632 R637 I638 L639 | L597-V635 HydrophobicContact CD1-CG2 3.62Å; L597-V635 HydrophobicContact CD2-CB 4.19Å; L597-V635 HydrophobicContact CD2-CG1 4.29Å; L597-V635 HydrophobicContact CD2-CG2 3.54Å; L597-V635 HydrophobicContact CG-CG2 4.13Å; P605-V635 HydrophobicContact CB-CG1 4.34Å; P605-V635 WeakPolarHBondContact O-CG1 3.46Å; A608-V635 HydrophobicContact CB-CG2 4.34Å; L609-V635 HydrophobicContact CB-CG1 3.87Å; L609-V635 HydrophobicContact CD1-CB 4.46Å; L609-V635 HydrophobicContact CD1-CG1 4.05Å; L609-V635 HydrophobicContact CG-CG1 4.45Å; L612-V635 HydrophobicContact CD1-CG2 3.73Å; G631-V635 WeakPolarHBondContact O-CG2 3.36Å; G631-V635 PolarHBondContact O-N 3.46Å; L632-V635 PolarHBondContact O-N 3.36Å; V635-R637 VanDerWaalsContact C-N 3.25Å; V635-R637 PolarHBondContact O-N 3.03Å; V635-I638 PolarHBondContact O-N 3.5Å; V635-I638 VanDerWaalsContact O-N 3.16Å; V635-L639 HydrophobicContact CG1-CD1 3.88Å; V635-L639 HydrophobicContact CG1-CG 4.31Å; V635-L639 WeakPolarHBondContact O-CB 3.46Å; V635-L639 WeakPolarHBondContact O-CG 3.34Å; V635-L639 PolarHBondContact O-N 2.97Å |
| 636 | Y | 89.5 | Confident | 88.2 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -33.4 | 179.5 | -74.6 | -47.5 | 0 | 0 | 0 | 112.3 | L609 L632 L639 K640 Q641 K644 | L609-Y636 HydrophobicContact CD1-CD1 4.41Å; L609-Y636 HydrophobicContact CD1-CE1 3.75Å; L609-Y636 HydrophobicContact CD1-CE2 4.43Å; L609-Y636 HydrophobicContact CD2-CE1 4.23Å; L632-Y636 HydrophobicContact CB-CD2 4.4Å; L632-Y636 HydrophobicContact CB-CE2 4.19Å; L632-Y636 WeakPolarHBondContact O-CB 3.47Å; L632-Y636 WeakPolarHBondContact O-CD2 3.4Å; L632-Y636 PolarHBondContact O-N 3.13Å; Y636-L639 CarbonylContact O-C 3.38Å; Y636-K640 PolarHBondContact O-N 3.01Å; Y636-Q641 HydrophobicContact CD1-CB 4.17Å; Y636-Q641 CarbonylContact O-C 3.55Å; Y636-Q641 WeakPolarHBondContact O-CA 3.42Å; Y636-Q641 PolarHBondContact O-N 3.32Å; Y636-K644 HydrophobicContact CD1-CB 4Å; Y636-K644 HydrophobicContact CD1-CD 4.18Å; Y636-K644 HydrophobicContact CD2-CB 3.98Å; Y636-K644 HydrophobicContact CE1-CB 4.19Å; Y636-K644 HydrophobicContact CE1-CD 3.81Å; Y636-K644 HydrophobicContact CE2-CB 4.15Å; Y636-K644 HydrophobicContact CG-CB 3.92Å |
| 637 | R | 86.8 | Confident | 88.5 | Confident | 53 Ų | 53 | 42 Ų | 42 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 173.1 | -178.5 | 179.1 | 163 | 121.9 | -1.2 | 111.4 | V562 I563 A633 R634 V635 L639 K640 D674 | V562-R637 VanDerWaalsContact CG1-CZ 3.42Å; V562-R637 PolarHBondContact O-NH2 3.19Å; I563-R637 PolarHBondContact O-NE 3.4Å; A633-R637 VanDerWaalsContact O-CB 3.32Å; A633-R637 WeakPolarHBondContact O-CB 3.25Å; A633-R637 PolarHBondContact O-N 2.96Å; R634-R637 WeakPolarHBondContact O-CB 3.17Å; R634-R637 PolarHBondContact O-N 3.25Å; V635-R637 VanDerWaalsContact C-N 3.25Å; V635-R637 PolarHBondContact O-N 3.03Å; R637-L639 PolarHBondContact O-N 3.19Å; R637-K640 PolarHBondContact O-N 2.88Å; R637-D674 IonicContact CZ-OD2 2.98Å; R637-D674 IonicContact NH1-OD2 3.28Å; R637-D674 PolarHBondContact NH1-OD2 3.36Å; R637-D674 IonicContact NH2-OD2 3.78Å; R637-D674 PolarHBondContact NH2-OD2 3.24Å; R637-D674 VanDerWaalsContact NH2-OD2 3.12Å |
| 638 | I | 85.8 | Confident | 88.6 | Confident | 69 Ų | 69 | 43 Ų | 43 | 35% | 0.354 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.6 | -68.4 | 164.2 | 0 | 0 | 0 | 111.2 | L597 P605 R634 V635 K640 | L597-I638 HydrophobicContact CB-CD1 4.27Å; L597-I638 HydrophobicContact CD2-CD1 4.05Å; P605-I638 HydrophobicContact CB-CG2 4.21Å; R634-I638 WeakPolarHBondContact O-CG1 3.16Å; R634-I638 PolarHBondContact O-N 2.75Å; V635-I638 PolarHBondContact O-N 3.5Å; V635-I638 VanDerWaalsContact O-N 3.16Å; I638-K640 PolarHBondContact O-N 3.25Å; I638-K640 VanDerWaalsContact O-N 3.14Å |
| 639 | L | 86.9 | Confident | 88.8 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 5.7 | 175.2 | -66 | 177 | 0 | 0 | 0 | 113.8 | P605 L609 V635 Y636 R637 Q641 | P605-L639 HydrophobicContact CB-CD2 3.89Å; P605-L639 HydrophobicContact CB-CG 4.19Å; P605-L639 HydrophobicContact CG-CD2 3.99Å; L609-L639 HydrophobicContact CD2-CD1 4.14Å; V635-L639 HydrophobicContact CG1-CD1 3.88Å; V635-L639 HydrophobicContact CG1-CG 4.31Å; V635-L639 WeakPolarHBondContact O-CB 3.46Å; V635-L639 WeakPolarHBondContact O-CG 3.34Å; V635-L639 PolarHBondContact O-N 2.97Å; Y636-L639 CarbonylContact O-C 3.38Å; R637-L639 PolarHBondContact O-N 3.19Å; L639-Q641 HydrophobicContact CB-CG 4.34Å; L639-Q641 PolarHBondContact O-N 3.29Å; L639-Q641 VanDerWaalsContact O-N 3.11Å |
| 640 | K | 86.9 | Confident | 88.9 | Confident | 183 Ų | 183 | 47.2 Ų | 47.2 | 80% | 0.796 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 16.9 | -177.1 | -56.9 | -179.4 | 178.1 | 179.6 | 0 | 114.7 | Y636 R637 I638 T642 | Y636-K640 PolarHBondContact O-N 3.01Å; R637-K640 PolarHBondContact O-N 2.88Å; I638-K640 PolarHBondContact O-N 3.25Å; I638-K640 VanDerWaalsContact O-N 3.14Å; K640-T642 VanDerWaalsContact C-N 3.3Å; K640-T642 PolarHBondContact O-N 3.48Å |
| 641 | Q | 90.1 | Very high | 88.8 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | trans | -89.1 | 59.5 | 175.9 | -62.3 | -176.1 | 17.2 | 0 | 0 | 111.1 | Y636 L639 A643 K644 A645 | Y636-Q641 HydrophobicContact CD1-CB 4.17Å; Y636-Q641 CarbonylContact O-C 3.55Å; Y636-Q641 WeakPolarHBondContact O-CA 3.42Å; Y636-Q641 PolarHBondContact O-N 3.32Å; L639-Q641 HydrophobicContact CB-CG 4.34Å; L639-Q641 PolarHBondContact O-N 3.29Å; L639-Q641 VanDerWaalsContact O-N 3.11Å; Q641-A643 VanDerWaalsContact C-N 3.25Å; Q641-A643 PolarHBondContact O-N 3.24Å; Q641-K644 HydrophobicContact CB-CB 4.49Å; Q641-K644 PolarHBondContact O-N 2.87Å; Q641-K644 VanDerWaalsContact O-N 3.1Å; Q641-K644 VanDerWaalsContact OE1-CD 3.28Å; Q641-A645 PolarHBondContact O-N 3.19Å | ||
| 642 | T | 90.1 | Very high | 88.7 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 44% | 0.436 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -31.6 | -173.4 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | K640 A645 K646 | K640-T642 VanDerWaalsContact C-N 3.3Å; K640-T642 PolarHBondContact O-N 3.48Å; T642-A645 PolarHBondContact O-N 3.42Å; T642-K646 WeakPolarHBondContact O-CB 3.45Å; T642-K646 PolarHBondContact O-N 2.71Å |
| 643 | A | 91.1 | Very high | 88.6 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q641 K646 I647 | Q641-A643 VanDerWaalsContact C-N 3.25Å; Q641-A643 PolarHBondContact O-N 3.24Å; A643-K646 PolarHBondContact O-N 3.22Å; A643-I647 WeakPolarHBondContact O-CG1 2.91Å; A643-I647 PolarHBondContact O-N 3.43Å |
| 644 | K | 89.9 | Confident | 88.3 | Confident | 103 Ų | 103 | 63.1 Ų | 63.1 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 177.2 | -65.4 | -170.1 | -168.9 | 165.2 | 0 | 111.4 | Y636 Q641 K646 I647 C648 | Y636-K644 HydrophobicContact CD1-CB 4Å; Y636-K644 HydrophobicContact CD1-CD 4.18Å; Y636-K644 HydrophobicContact CD2-CB 3.98Å; Y636-K644 HydrophobicContact CE1-CB 4.19Å; Y636-K644 HydrophobicContact CE1-CD 3.81Å; Y636-K644 HydrophobicContact CE2-CB 4.15Å; Y636-K644 HydrophobicContact CG-CB 3.92Å; Q641-K644 HydrophobicContact CB-CB 4.49Å; Q641-K644 PolarHBondContact O-N 2.87Å; Q641-K644 VanDerWaalsContact O-N 3.1Å; Q641-K644 VanDerWaalsContact OE1-CD 3.28Å; K644-K646 VanDerWaalsContact C-N 3.27Å; K644-K646 PolarHBondContact O-N 3.28Å; K644-I647 PolarHBondContact O-N 3.33Å; K644-I647 VanDerWaalsContact O-N 3.11Å; K644-C648 PolarHBondContact O-N 3.39Å; K644-C648 PolarHBondContact O-SG 2.8Å |
| 645 | A | 89.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.4 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q641 T642 I647 C648 L649 I675 | Q641-A645 PolarHBondContact O-N 3.19Å; T642-A645 PolarHBondContact O-N 3.42Å; A645-I647 PolarHBondContact O-N 3.26Å; A645-C648 PolarHBondContact O-N 3.08Å; A645-L649 VanDerWaalsContact O-CG 3.29Å; A645-L649 WeakPolarHBondContact O-CG 3.18Å; A645-L649 PolarHBondContact O-N 2.7Å; A645-I675 HydrophobicContact CB-CD1 4.24Å |
| 646 | K | 91.3 | Very high | 87.5 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 177.6 | -176.8 | 179 | -179 | 174.5 | 0 | 113.3 | T642 A643 K644 L649 K650 L672 I675 Y676 | T642-K646 WeakPolarHBondContact O-CB 3.45Å; T642-K646 PolarHBondContact O-N 2.71Å; A643-K646 PolarHBondContact O-N 3.22Å; K644-K646 VanDerWaalsContact C-N 3.27Å; K644-K646 PolarHBondContact O-N 3.28Å; K646-L649 PolarHBondContact O-N 3.17Å; K646-K650 WeakPolarHBondContact O-CG 3.32Å; K646-K650 PolarHBondContact O-N 2.94Å; K646-L672 HydrophobicContact CG-CD1 4.01Å; K646-I675 HydrophobicContact CB-CG2 4.42Å; K646-I675 HydrophobicContact CD-CG2 4.35Å; K646-Y676 VanDerWaalsContact NZ-CE1 3.33Å |
| 647 | I | 90 | Very high | 87.1 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 56% | 0.559 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 178.3 | -67.8 | 165.5 | 0 | 0 | 0 | 110.4 | A643 K644 A645 K650 | A643-I647 WeakPolarHBondContact O-CG1 2.91Å; A643-I647 PolarHBondContact O-N 3.43Å; K644-I647 PolarHBondContact O-N 3.33Å; K644-I647 VanDerWaalsContact O-N 3.11Å; A645-I647 PolarHBondContact O-N 3.26Å; I647-K650 PolarHBondContact O-N 3.11Å |
| 648 | C | 88 | Confident | 86.6 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 175.3 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | I629 K644 A645 K650 K651 | I629-C648 HydrophobicContact CG2-CB 4.22Å; I629-C648 WeakPolarHBondContact CG2-O 3.28Å; K644-C648 PolarHBondContact O-N 3.39Å; K644-C648 PolarHBondContact O-SG 2.8Å; A645-C648 PolarHBondContact O-N 3.08Å; C648-K650 VanDerWaalsContact C-N 3.31Å; C648-K650 PolarHBondContact O-N 3.18Å; C648-K651 VanDerWaalsContact O-CB 3.29Å; C648-K651 WeakPolarHBondContact O-CB 3.4Å; C648-K651 PolarHBondContact O-N 3.21Å; C648-K651 VanDerWaalsContact O-N 3.09Å |
| 649 | L | 90.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -32.2 | -178.7 | -69 | 171.4 | 0 | 0 | 0 | 113.2 | A633 A645 K646 K651 T652 C668 L671 L672 I675 | A633-L649 HydrophobicContact CB-CD1 4.03Å; A633-L649 HydrophobicContact CB-CD2 3.52Å; A633-L649 HydrophobicContact CB-CG 3.61Å; A645-L649 VanDerWaalsContact O-CG 3.29Å; A645-L649 WeakPolarHBondContact O-CG 3.18Å; A645-L649 PolarHBondContact O-N 2.7Å; K646-L649 PolarHBondContact O-N 3.17Å; L649-K651 PolarHBondContact O-N 3.45Å; L649-T652 PolarHBondContact O-N 3.13Å; L649-T652 PolarHBondContact O-OG1 3.02Å; L649-C668 HydrophobicContact CD2-CB 3.74Å; L649-L671 HydrophobicContact CD1-CB 3.82Å; L649-L671 HydrophobicContact CD2-CB 4.43Å; L649-L672 HydrophobicContact CB-CB 4.16Å; L649-L672 HydrophobicContact CB-CD1 4.12Å; L649-L672 HydrophobicContact CD1-CB 4.16Å; L649-I675 HydrophobicContact CD1-CD1 3.87Å |
| 650 | K | 90.5 | Very high | 85.5 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -26.6 | 174.8 | -83.4 | -176.2 | 168.9 | -160.9 | 0 | 113.1 | K646 I647 C648 T652 L653 Y676 | K646-K650 WeakPolarHBondContact O-CG 3.32Å; K646-K650 PolarHBondContact O-N 2.94Å; I647-K650 PolarHBondContact O-N 3.11Å; C648-K650 VanDerWaalsContact C-N 3.31Å; C648-K650 PolarHBondContact O-N 3.18Å; K650-T652 PolarHBondContact O-N 2.71Å; K650-L653 HydrophobicContact CG-CD1 4.49Å; K650-L653 PolarHBondContact O-N 3.2Å; K650-Y676 WeakPolarHBondContact CE-OH 3.49Å |
| 651 | K | 86.5 | Confident | 85.2 | Confident | 131 Ų | 131 | 59.1 Ų | 59.1 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -64.1 | -27.3 | 176.2 | -59.1 | -174.6 | 177.6 | -174.8 | 0 | 112.1 | I629 C648 L649 L653 | I629-K651 HydrophobicContact CD1-CB 4.32Å; C648-K651 VanDerWaalsContact O-CB 3.29Å; C648-K651 WeakPolarHBondContact O-CB 3.4Å; C648-K651 PolarHBondContact O-N 3.21Å; C648-K651 VanDerWaalsContact O-N 3.09Å; L649-K651 PolarHBondContact O-N 3.45Å; K651-L653 VanDerWaalsContact C-N 3.31Å; K651-L653 PolarHBondContact O-N 3.09Å |
| 652 | T | 86.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -79.8 | -9.5 | -178.8 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | V626 I629 L649 K650 N654 A655 C668 | V626-T652 HydrophobicContact CG1-CG2 4.49Å; I629-T652 HydrophobicContact CB-CG2 4.14Å; I629-T652 HydrophobicContact CD1-CG2 3.87Å; I629-T652 HydrophobicContact CG2-CG2 3.56Å; L649-T652 PolarHBondContact O-N 3.13Å; L649-T652 PolarHBondContact O-OG1 3.02Å; K650-T652 PolarHBondContact O-N 2.71Å; T652-N654 VanDerWaalsContact C-N 3.27Å; T652-N654 PolarHBondContact O-N 3.4Å; T652-A655 PolarHBondContact O-N 3.5Å; T652-C668 HydrophobicContact CG2-CB 4.08Å |
| 653 | L | 85.7 | Confident | 84.6 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -68.9 | -28.1 | 178.3 | -69.4 | 173.7 | 0 | 0 | 0 | 112.7 | K650 K651 L672 V688 | K650-L653 HydrophobicContact CG-CD1 4.49Å; K650-L653 PolarHBondContact O-N 3.2Å; K651-L653 VanDerWaalsContact C-N 3.31Å; K651-L653 PolarHBondContact O-N 3.09Å; L653-L672 HydrophobicContact CD1-CD2 4.01Å; L653-L672 HydrophobicContact CD2-CD2 4.09Å; L653-L672 HydrophobicContact CG-CD2 4.12Å; L653-V688 HydrophobicContact CD2-CG2 4.08Å |
| 654 | N | 82 | Confident | 84.4 | Confident | 156 Ų | 156 | 53 Ų | 53 | 83% | 0.834 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -104.2 | 4.3 | 179.3 | -63.2 | -9.1 | 0 | 0 | 0 | 112.4 | T652 | T652-N654 VanDerWaalsContact C-N 3.27Å; T652-N654 PolarHBondContact O-N 3.4Å |
| 655 | A | 80.3 | Confident | 84.4 | Confident | 25 Ų | 25 | 48 Ų | 48 | 21% | 0.207 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -72 | 141 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T652 W657 L665 | T652-A655 PolarHBondContact O-N 3.5Å; A655-W657 PolarHBondContact O-N 3.36Å; A655-L665 HydrophobicContact CB-CD2 4.12Å |
| 656 | P | 78.9 | Confident | 84.4 | Confident | 73 Ų | 73 | 49 Ų | 49 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 137.3 | 176 | 26.8 | -33.6 | 0 | 0 | 0 | 109.8 | ||
| 657 | W | 81.5 | Confident | 84.2 | Confident | 34 Ų | 34 | 49 Ų | 49 | 13% | 0.129 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -84 | 119.7 | 177.6 | -175.2 | 89.6 | 0 | 0 | 0 | 109.7 | Y467 Q468 A655 F659 A662 L665 W669 H695 | Y467-W657 AromaticContact CD1-CH2 3.53Å; Y467-W657 HydrophobicContact CD1-CH2 3.53Å; Y467-W657 HydrophobicContact CD1-CZ2 4.48Å; Y467-W657 AromaticContact CD1-CZ3 3.85Å; Y467-W657 HydrophobicContact CD1-CZ3 3.85Å; Y467-W657 AromaticContact CE1-CH2 3.36Å; Y467-W657 HydrophobicContact CE1-CH2 3.36Å; Y467-W657 AromaticContact CE1-CZ2 3.91Å; Y467-W657 HydrophobicContact CE1-CZ2 3.91Å; Y467-W657 HydrophobicContact CE1-CZ3 4.09Å; Q468-W657 HydrophobicContact CG-CE3 3.76Å; Q468-W657 HydrophobicContact CG-CZ3 3.63Å; Q468-W657 PolarHBondContact NE2-O 3.22Å; A655-W657 PolarHBondContact O-N 3.36Å; W657-F659 AromaticContact CH2-CD1 3.76Å; W657-F659 HydrophobicContact CH2-CD1 3.76Å; W657-F659 HydrophobicContact CH2-CD2 4.4Å; W657-F659 AromaticContact CH2-CE1 3.49Å; W657-F659 HydrophobicContact CH2-CE1 3.49Å; W657-F659 VanDerWaalsContact CH2-CE1 3.49Å; W657-F659 HydrophobicContact CH2-CE2 4.13Å; W657-F659 HydrophobicContact CH2-CG 4.24Å; W657-F659 AromaticContact CH2-CZ 3.7Å; W657-F659 HydrophobicContact CH2-CZ 3.7Å; W657-F659 HydrophobicContact CZ2-CD1 4.44Å; W657-F659 HydrophobicContact CZ2-CE1 4.39Å; W657-F659 HydrophobicContact CZ3-CD1 4.45Å; W657-F659 HydrophobicContact CZ3-CD2 4.32Å; W657-F659 HydrophobicContact CZ3-CE1 4.22Å; W657-F659 HydrophobicContact CZ3-CE2 4.03Å; W657-F659 HydrophobicContact CZ3-CZ 4.02Å; W657-A662 HydrophobicContact CZ2-CB 4.05Å; W657-L665 HydrophobicContact CB-CD1 4.44Å; W657-L665 HydrophobicContact CG-CD1 4.4Å; W657-W669 AromaticContact CD1-CH2 3.83Å; W657-H695 AromaticContact CD1-CG 3.83Å; W657-H695 AromaticContact CD1-ND1 3.89Å; W657-H695 AromaticContact CD2-ND1 3.79Å; W657-H695 AromaticContact CG-CE1 3.96Å; W657-H695 AromaticContact CG-ND1 3.72Å; W657-H695 AromaticContact NE1-CG 3.86Å |
| 658 | N | 77.2 | Confident | 84.3 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | trans | -128.4 | 165.2 | 175.4 | 65.3 | 26.3 | 0 | 0 | 0 | 109.5 | E660 D661 A662 | N658-E660 PolarHBondContact OD1-N 3.45Å; N658-D661 PolarHBondContact ND2-OD2 2.67Å; N658-D661 WeakPolarHBondContact OD1-CA 3.37Å; N658-D661 WeakPolarHBondContact OD1-CB 3.49Å; N658-D661 PolarHBondContact OD1-N 3.5Å; N658-D661 PolarHBondContact OD1-OD2 3.45Å; N658-A662 WeakPolarHBondContact O-CA 3.43Å; N658-A662 VanDerWaalsContact O-CB 3.32Å; N658-A662 WeakPolarHBondContact O-CB 3.3Å; N658-A662 PolarHBondContact O-N 3.03Å; N658-A662 VanDerWaalsContact O-N 3.12Å | ||
| 659 | F | 74.3 | Confident | 84.6 | Confident | 39 Ų | 39 | 43.5 Ų | 43.5 | 17% | 0.171 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -26 | -179.4 | -79.1 | -73.7 | 0 | 0 | 0 | 114.1 | D464 Y467 R495 W657 | D464-F659 HydrophobicContact CB-CD2 4.19Å; D464-F659 HydrophobicContact CB-CE2 3.51Å; D464-F659 HydrophobicContact CB-CZ 4.3Å; D464-F659 VanDerWaalsContact OD1-CE2 3.31Å; D464-F659 WeakPolarHBondContact OD1-CE2 3.44Å; D464-F659 WeakPolarHBondContact OD1-CZ 3.31Å; Y467-F659 HydrophobicContact CD1-CE1 4.17Å; Y467-F659 AromaticContact CD1-CZ 3.7Å; Y467-F659 HydrophobicContact CD1-CZ 3.7Å; Y467-F659 HydrophobicContact CE1-CE1 4.34Å; Y467-F659 HydrophobicContact CE1-CZ 4.32Å; Y467-F659 AromaticContact CG-CZ 3.99Å; Y467-F659 HydrophobicContact CG-CZ 3.99Å; R495-F659 VanDerWaalsContact NH2-CB 3.29Å; R495-F659 VanDerWaalsContact NH2-CD1 3.34Å; W657-F659 AromaticContact CH2-CD1 3.76Å; W657-F659 HydrophobicContact CH2-CD1 3.76Å; W657-F659 HydrophobicContact CH2-CD2 4.4Å; W657-F659 AromaticContact CH2-CE1 3.49Å; W657-F659 HydrophobicContact CH2-CE1 3.49Å; W657-F659 VanDerWaalsContact CH2-CE1 3.49Å; W657-F659 HydrophobicContact CH2-CE2 4.13Å; W657-F659 HydrophobicContact CH2-CG 4.24Å; W657-F659 AromaticContact CH2-CZ 3.7Å; W657-F659 HydrophobicContact CH2-CZ 3.7Å; W657-F659 HydrophobicContact CZ2-CD1 4.44Å; W657-F659 HydrophobicContact CZ2-CE1 4.39Å; W657-F659 HydrophobicContact CZ3-CD1 4.45Å; W657-F659 HydrophobicContact CZ3-CD2 4.32Å; W657-F659 HydrophobicContact CZ3-CE1 4.22Å; W657-F659 HydrophobicContact CZ3-CE2 4.03Å; W657-F659 HydrophobicContact CZ3-CZ 4.02Å |
| 660 | E | 75.3 | Confident | 84.6 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -44.1 | -179.8 | -67.4 | -160.8 | -160.5 | 0 | 0 | 112.2 | K587 N658 | K587-E660 IonicContact NZ-OE2 2.65Å; K587-E660 PolarHBondContact NZ-OE2 3.37Å; N658-E660 PolarHBondContact OD1-N 3.45Å |
| 661 | D | 80 | Confident | 84.7 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -2.7 | -179.6 | -56 | -47.4 | 0 | 0 | 0 | 112.4 | V626 N658 N663 W664 L665 | V626-D661 HydrophobicContact CB-CB 4.1Å; V626-D661 HydrophobicContact CG2-CB 4Å; N658-D661 PolarHBondContact ND2-OD2 2.67Å; N658-D661 WeakPolarHBondContact OD1-CA 3.37Å; N658-D661 WeakPolarHBondContact OD1-CB 3.49Å; N658-D661 PolarHBondContact OD1-N 3.5Å; N658-D661 PolarHBondContact OD1-OD2 3.45Å; D661-N663 VanDerWaalsContact C-N 3.31Å; D661-N663 PolarHBondContact O-N 2.98Å; D661-W664 HydrophobicContact CB-CE3 4.42Å; D661-W664 CarbonylContact O-C 3.45Å; D661-W664 PolarHBondContact O-N 2.93Å; D661-W664 VanDerWaalsContact OD1-CE3 3.31Å; D661-W664 WeakPolarHBondContact OD1-CZ3 3.24Å; D661-L665 HydrophobicContact CB-CD1 4.43Å; D661-L665 HydrophobicContact CB-CG 4.36Å; D661-L665 PolarHBondContact O-N 2.92Å |
| 662 | A | 83.6 | Confident | 85 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 13% | 0.132 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -50.9 | -45.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W657 N658 L665 E666 | W657-A662 HydrophobicContact CZ2-CB 4.05Å; N658-A662 WeakPolarHBondContact O-CA 3.43Å; N658-A662 VanDerWaalsContact O-CB 3.32Å; N658-A662 WeakPolarHBondContact O-CB 3.3Å; N658-A662 PolarHBondContact O-N 3.03Å; N658-A662 VanDerWaalsContact O-N 3.12Å; A662-L665 PolarHBondContact O-N 3.46Å; A662-E666 WeakPolarHBondContact O-CB 3.43Å; A662-E666 PolarHBondContact O-N 3.13Å |
| 663 | N | 84 | Confident | 85.3 | Confident | 43 Ų | 43 | 32.5 Ų | 32.5 | 23% | 0.23 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 178.5 | -74.4 | -35.7 | 0 | 0 | 0 | 111.9 | K523 D661 E667 | K523-N663 PolarHBondContact NZ-OD1 3.47Å; K523-N663 VanDerWaalsContact NZ-OD1 3.12Å; D661-N663 VanDerWaalsContact C-N 3.31Å; D661-N663 PolarHBondContact O-N 2.98Å; N663-E667 WeakPolarHBondContact O-CB 3.48Å; N663-E667 WeakPolarHBondContact O-CG 3.4Å; N663-E667 PolarHBondContact O-N 3.13Å |
| 664 | W | 86.9 | Confident | 85.6 | Confident | 19 Ų | 19 | 31.1 Ų | 31.1 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.1 | -38.9 | 178.3 | -61.8 | -23.7 | 0 | 0 | 0 | 112 | E553 K587 L590 M591 V626 L630 D661 E667 C668 | E553-W664 PolarHBondContact OE1-NE1 3.29Å; K587-W664 HydrophobicContact CG-CH2 4.43Å; L590-W664 HydrophobicContact CD2-CH2 3.85Å; L590-W664 HydrophobicContact CD2-CZ2 3.93Å; L590-W664 HydrophobicContact CD2-CZ3 4.41Å; M591-W664 HydrophobicContact CE-CZ2 3.9Å; V626-W664 HydrophobicContact CB-CB 4.44Å; V626-W664 HydrophobicContact CG1-CB 3.76Å; L630-W664 HydrophobicContact CD2-CB 4.1Å; L630-W664 HydrophobicContact CD2-CG 4.14Å; D661-W664 HydrophobicContact CB-CE3 4.42Å; D661-W664 CarbonylContact O-C 3.45Å; D661-W664 PolarHBondContact O-N 2.93Å; D661-W664 VanDerWaalsContact OD1-CE3 3.31Å; D661-W664 WeakPolarHBondContact OD1-CZ3 3.24Å; W664-E667 PolarHBondContact O-N 3.06Å; W664-C668 WeakPolarHBondContact O-CB 3.42Å; W664-C668 PolarHBondContact O-N 3.27Å; W664-C668 PolarHBondContact O-SG 2.56Å |
| 665 | L | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 172.7 | -74.1 | 173.9 | 0 | 0 | 0 | 111.1 | V626 A655 W657 D661 A662 E667 C668 W669 | V626-L665 HydrophobicContact CB-CD2 4.4Å; V626-L665 HydrophobicContact CG1-CD2 3.62Å; V626-L665 HydrophobicContact CG1-CG 3.88Å; V626-L665 HydrophobicContact CG2-CD2 3.83Å; V626-L665 HydrophobicContact CG2-CG 4.25Å; A655-L665 HydrophobicContact CB-CD2 4.12Å; W657-L665 HydrophobicContact CB-CD1 4.44Å; W657-L665 HydrophobicContact CG-CD1 4.4Å; D661-L665 HydrophobicContact CB-CD1 4.43Å; D661-L665 HydrophobicContact CB-CG 4.36Å; D661-L665 PolarHBondContact O-N 2.92Å; A662-L665 PolarHBondContact O-N 3.46Å; L665-E667 PolarHBondContact O-N 3.46Å; L665-C668 WeakPolarHBondContact O-CB 3.43Å; L665-C668 PolarHBondContact O-N 2.87Å; L665-W669 HydrophobicContact CB-CH2 4.27Å; L665-W669 HydrophobicContact CB-CZ2 4.15Å; L665-W669 VanDerWaalsContact O-CD2 3.29Å; L665-W669 PolarHBondContact O-N 2.81Å |
| 666 | E | 88.8 | Confident | 86.7 | Confident | 20 Ų | 20 | 23.9 Ų | 23.9 | 9% | 0.093 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.7 | -50.5 | 175.6 | -172.9 | -176.1 | 147.7 | 0 | 0 | 110.9 | K523 A662 C668 W669 L670 N696 C699 | K523-E666 IonicContact NZ-OE1 2.69Å; K523-E666 IonicContact NZ-OE2 3.48Å; A662-E666 WeakPolarHBondContact O-CB 3.43Å; A662-E666 PolarHBondContact O-N 3.13Å; E666-C668 PolarHBondContact O-N 3.1Å; E666-W669 PolarHBondContact O-N 3.44Å; E666-L670 HydrophobicContact CG-CD1 4.15Å; E666-L670 WeakPolarHBondContact O-CB 3.26Å; E666-L670 VanDerWaalsContact O-CG 3.25Å; E666-L670 WeakPolarHBondContact O-CG 3.26Å; E666-L670 PolarHBondContact O-N 3.41Å; E666-N696 PolarHBondContact OE2-ND2 3.02Å; E666-C699 PolarHBondContact OE1-SG 3.45Å |
| 667 | E | 88.6 | Confident | 87.3 | Confident | 30 Ų | 30 | 21 Ų | 21 | 14% | 0.14 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.9 | -77.1 | -78.4 | 128 | 0 | 0 | 112.7 | L630 R634 N663 W664 L665 L670 L671 K701 | L630-E667 HydrophobicContact CD1-CB 3.98Å; L630-E667 HydrophobicContact CD2-CB 4.11Å; R634-E667 IonicContact NH2-OE2 2.77Å; R634-E667 PolarHBondContact NH2-OE2 2.72Å; R634-E667 VanDerWaalsContact NH2-OE2 3.12Å; N663-E667 WeakPolarHBondContact O-CB 3.48Å; N663-E667 WeakPolarHBondContact O-CG 3.4Å; N663-E667 PolarHBondContact O-N 3.13Å; W664-E667 PolarHBondContact O-N 3.06Å; L665-E667 PolarHBondContact O-N 3.46Å; E667-L670 PolarHBondContact O-N 3.19Å; E667-L671 WeakPolarHBondContact O-CB 3.37Å; E667-L671 WeakPolarHBondContact O-CG 3.45Å; E667-L671 PolarHBondContact O-N 3.06Å; E667-K701 IonicContact OE1-NZ 2.86Å; E667-K701 PolarHBondContact OE1-NZ 3.03Å |
| 668 | C | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 174 | -78.9 | 0 | 0 | 0 | 0 | 112 | L649 T652 W664 L665 E666 L671 L672 | L649-C668 HydrophobicContact CD2-CB 3.74Å; T652-C668 HydrophobicContact CG2-CB 4.08Å; W664-C668 WeakPolarHBondContact O-CB 3.42Å; W664-C668 PolarHBondContact O-N 3.27Å; W664-C668 PolarHBondContact O-SG 2.56Å; L665-C668 WeakPolarHBondContact O-CB 3.43Å; L665-C668 PolarHBondContact O-N 2.87Å; E666-C668 PolarHBondContact O-N 3.1Å; C668-L671 PolarHBondContact O-N 2.55Å; C668-L672 WeakPolarHBondContact O-CB 3.42Å; C668-L672 PolarHBondContact O-N 2.64Å |
| 669 | W | 93.5 | Very high | 88.4 | Confident | 13 Ų | 13 | 25.2 Ų | 25.2 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 178 | -62.9 | -27.4 | 0 | 0 | 0 | 111.9 | W657 L665 E666 L672 A673 V688 C692 H695 | W657-W669 AromaticContact CD1-CH2 3.83Å; L665-W669 HydrophobicContact CB-CH2 4.27Å; L665-W669 HydrophobicContact CB-CZ2 4.15Å; L665-W669 VanDerWaalsContact O-CD2 3.29Å; L665-W669 PolarHBondContact O-N 2.81Å; E666-W669 PolarHBondContact O-N 3.44Å; W669-L672 PolarHBondContact O-N 3.11Å; W669-A673 WeakPolarHBondContact O-CB 3.31Å; W669-A673 PolarHBondContact O-N 2.96Å; W669-V688 HydrophobicContact CB-CG1 3.71Å; W669-V688 HydrophobicContact CG-CG1 4.27Å; W669-V688 VanDerWaalsContact O-CG1 3.3Å; W669-V688 WeakPolarHBondContact O-CG1 3.28Å; W669-C692 HydrophobicContact CB-CB 4.49Å; W669-C692 HydrophobicContact CE3-CB 3.94Å; W669-H695 AromaticContact CH2-CD2 3.62Å; W669-H695 HydrophobicContact CZ3-CB 4.34Å; W669-H695 AromaticContact CZ3-CD2 4Å |
| 670 | L | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 175.5 | -70.3 | 172.2 | 0 | 0 | 0 | 112.1 | E666 E667 L672 A673 D674 L689 K701 A702 Y705 | E666-L670 HydrophobicContact CG-CD1 4.15Å; E666-L670 WeakPolarHBondContact O-CB 3.26Å; E666-L670 VanDerWaalsContact O-CG 3.25Å; E666-L670 WeakPolarHBondContact O-CG 3.26Å; E666-L670 PolarHBondContact O-N 3.41Å; E667-L670 PolarHBondContact O-N 3.19Å; L670-L672 VanDerWaalsContact C-N 3.3Å; L670-L672 PolarHBondContact O-N 3.27Å; L670-A673 PolarHBondContact O-N 3.46Å; L670-D674 WeakPolarHBondContact O-CB 3.5Å; L670-D674 PolarHBondContact O-N 2.93Å; L670-L689 HydrophobicContact CD2-CD2 4.19Å; L670-K701 HydrophobicContact CD1-CB 3.99Å; L670-K701 HydrophobicContact CD1-CD 3.72Å; L670-K701 HydrophobicContact CD2-CB 3.96Å; L670-A702 HydrophobicContact CD2-CB 4.08Å; L670-Y705 HydrophobicContact CB-CE2 4.41Å; L670-Y705 HydrophobicContact CD2-CD2 3.88Å; L670-Y705 HydrophobicContact CD2-CE2 4.1Å |
| 671 | L | 90.7 | Very high | 90 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 173.6 | -83.2 | 164.1 | 0 | 0 | 0 | 112 | V562 L630 R634 L649 E667 C668 I675 | V562-L671 HydrophobicContact CG1-CD2 3.19Å; V562-L671 HydrophobicContact CG1-CG 3.95Å; L630-L671 HydrophobicContact CD1-CD1 3.4Å; R634-L671 HydrophobicContact CG-CD1 4.21Å; L649-L671 HydrophobicContact CD1-CB 3.82Å; L649-L671 HydrophobicContact CD2-CB 4.43Å; E667-L671 WeakPolarHBondContact O-CB 3.37Å; E667-L671 WeakPolarHBondContact O-CG 3.45Å; E667-L671 PolarHBondContact O-N 3.06Å; C668-L671 PolarHBondContact O-N 2.55Å; L671-I675 VanDerWaalsContact O-CG1 3.3Å; L671-I675 WeakPolarHBondContact O-CG1 3.35Å; L671-I675 PolarHBondContact O-N 3.13Å; L671-I675 VanDerWaalsContact O-N 3.11Å |
| 672 | L | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 178 | -178.1 | 60.2 | 0 | 0 | 0 | 111.4 | K646 L649 L653 C668 W669 L670 I675 Y676 V688 | K646-L672 HydrophobicContact CG-CD1 4.01Å; L649-L672 HydrophobicContact CB-CB 4.16Å; L649-L672 HydrophobicContact CB-CD1 4.12Å; L649-L672 HydrophobicContact CD1-CB 4.16Å; L653-L672 HydrophobicContact CD1-CD2 4.01Å; L653-L672 HydrophobicContact CD2-CD2 4.09Å; L653-L672 HydrophobicContact CG-CD2 4.12Å; C668-L672 WeakPolarHBondContact O-CB 3.42Å; C668-L672 PolarHBondContact O-N 2.64Å; W669-L672 PolarHBondContact O-N 3.11Å; L670-L672 VanDerWaalsContact C-N 3.3Å; L670-L672 PolarHBondContact O-N 3.27Å; L672-I675 PolarHBondContact O-N 3.1Å; L672-Y676 HydrophobicContact CD1-CD2 4.15Å; L672-Y676 HydrophobicContact CD1-CE2 3.63Å; L672-Y676 HydrophobicContact CD2-CE2 4.02Å; L672-Y676 HydrophobicContact CG-CD2 3.93Å; L672-Y676 HydrophobicContact CG-CE2 3.54Å; L672-Y676 VanDerWaalsContact O-CD2 3.24Å; L672-Y676 WeakPolarHBondContact O-CD2 3.15Å; L672-Y676 PolarHBondContact O-N 3.42Å; L672-V688 HydrophobicContact CB-CG1 4.49Å; L672-V688 HydrophobicContact CD2-CG1 4.34Å; L672-V688 HydrophobicContact CD2-CG2 4.02Å; L672-V688 HydrophobicContact CG-CG2 4.47Å |
| 673 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W669 L670 I675 Y676 I677 V688 L689 | W669-A673 WeakPolarHBondContact O-CB 3.31Å; W669-A673 PolarHBondContact O-N 2.96Å; L670-A673 PolarHBondContact O-N 3.46Å; A673-I675 VanDerWaalsContact C-N 3.34Å; A673-I675 PolarHBondContact O-N 3.48Å; A673-Y676 PolarHBondContact O-N 2.94Å; A673-Y676 VanDerWaalsContact O-N 3.09Å; A673-I677 VanDerWaalsContact O-CG1 3.23Å; A673-I677 WeakPolarHBondContact O-CG1 3.43Å; A673-I677 PolarHBondContact O-N 3.14Å; A673-V688 HydrophobicContact CB-CG1 4.5Å; A673-L689 HydrophobicContact CB-CD1 4.32Å; A673-L689 HydrophobicContact CB-CD2 3.73Å; A673-L689 HydrophobicContact CB-CG 3.83Å |
| 674 | D | 91.9 | Very high | 91.5 | Very high | 40 Ų | 40 | 36 Ų | 36 | 21% | 0.214 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.4 | -168.3 | 38 | 0 | 0 | 0 | 111.7 | R637 L670 Y676 I677 G678 Y705 | R637-D674 IonicContact CZ-OD2 2.98Å; R637-D674 IonicContact NH1-OD2 3.28Å; R637-D674 PolarHBondContact NH1-OD2 3.36Å; R637-D674 IonicContact NH2-OD2 3.78Å; R637-D674 PolarHBondContact NH2-OD2 3.24Å; R637-D674 VanDerWaalsContact NH2-OD2 3.12Å; L670-D674 WeakPolarHBondContact O-CB 3.5Å; L670-D674 PolarHBondContact O-N 2.93Å; D674-Y676 PolarHBondContact O-N 3.24Å; D674-I677 PolarHBondContact O-N 2.91Å; D674-G678 PolarHBondContact O-N 3.31Å; D674-Y705 HydrophobicContact CB-CE2 4.37Å; D674-Y705 PolarHBondContact OD1-OH 2.85Å |
| 675 | I | 91.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.1 | -67.4 | 166.5 | 0 | 0 | 0 | 111.3 | A645 K646 L649 L671 L672 A673 G678 Q679 | A645-I675 HydrophobicContact CB-CD1 4.24Å; K646-I675 HydrophobicContact CB-CG2 4.42Å; K646-I675 HydrophobicContact CD-CG2 4.35Å; L649-I675 HydrophobicContact CD1-CD1 3.87Å; L671-I675 VanDerWaalsContact O-CG1 3.3Å; L671-I675 WeakPolarHBondContact O-CG1 3.35Å; L671-I675 PolarHBondContact O-N 3.13Å; L671-I675 VanDerWaalsContact O-N 3.11Å; L672-I675 PolarHBondContact O-N 3.1Å; A673-I675 VanDerWaalsContact C-N 3.34Å; A673-I675 PolarHBondContact O-N 3.48Å; I675-G678 PolarHBondContact O-N 3.06Å; I675-Q679 WeakPolarHBondContact O-CG 3.49Å; I675-Q679 PolarHBondContact O-N 3.14Å |
| 676 | Y | 94.1 | Very high | 92 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | 177.5 | -77.1 | -52 | 0 | 0 | 0 | 112.6 | K646 K650 L672 A673 D674 G678 Q679 S680 K681 H684 V688 | K646-Y676 VanDerWaalsContact NZ-CE1 3.33Å; K650-Y676 WeakPolarHBondContact CE-OH 3.49Å; L672-Y676 HydrophobicContact CD1-CD2 4.15Å; L672-Y676 HydrophobicContact CD1-CE2 3.63Å; L672-Y676 HydrophobicContact CD2-CE2 4.02Å; L672-Y676 HydrophobicContact CG-CD2 3.93Å; L672-Y676 HydrophobicContact CG-CE2 3.54Å; L672-Y676 VanDerWaalsContact O-CD2 3.24Å; L672-Y676 WeakPolarHBondContact O-CD2 3.15Å; L672-Y676 PolarHBondContact O-N 3.42Å; A673-Y676 PolarHBondContact O-N 2.94Å; A673-Y676 VanDerWaalsContact O-N 3.09Å; D674-Y676 PolarHBondContact O-N 3.24Å; Y676-G678 VanDerWaalsContact C-N 3.33Å; Y676-Q679 CarbonylContact O-C 3.59Å; Y676-Q679 PolarHBondContact O-N 3.35Å; Y676-Q679 VanDerWaalsContact O-N 3.16Å; Y676-S680 PolarHBondContact O-N 3.49Å; Y676-S680 VanDerWaalsContact O-N 3.15Å; Y676-K681 HydrophobicContact CD1-CB 3.96Å; Y676-K681 HydrophobicContact CD1-CD 4.21Å; Y676-K681 HydrophobicContact CE1-CD 4.47Å; Y676-K681 PolarHBondContact O-N 3.15Å; Y676-H684 HydrophobicContact CD1-CB 4.09Å; Y676-H684 HydrophobicContact CD2-CB 4.16Å; Y676-H684 HydrophobicContact CE1-CB 4.06Å; Y676-H684 HydrophobicContact CE2-CB 4.15Å; Y676-H684 HydrophobicContact CG-CB 4.15Å; Y676-V688 HydrophobicContact CD2-CG2 4.47Å; Y676-V688 HydrophobicContact CE2-CG2 4.16Å |
| 677 | I | 91.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 175.6 | -67.9 | 166.8 | 0 | 0 | 0 | 110.4 | A673 D674 Q679 S680 A685 Y705 I709 K712 | A673-I677 VanDerWaalsContact O-CG1 3.23Å; A673-I677 WeakPolarHBondContact O-CG1 3.43Å; A673-I677 PolarHBondContact O-N 3.14Å; D674-I677 PolarHBondContact O-N 2.91Å; I677-Q679 VanDerWaalsContact C-N 3.31Å; I677-Q679 PolarHBondContact O-N 3.01Å; I677-S680 PolarHBondContact O-N 2.89Å; I677-A685 HydrophobicContact CG1-CB 3.81Å; I677-Y705 HydrophobicContact CD1-CD1 3.69Å; I677-Y705 HydrophobicContact CD1-CE1 4.37Å; I677-Y705 HydrophobicContact CD1-CG 3.81Å; I677-I709 HydrophobicContact CD1-CD1 3.95Å; I677-I709 HydrophobicContact CD1-CG1 4.07Å; I677-I709 HydrophobicContact CG1-CD1 3.86Å; I677-I709 HydrophobicContact CG1-CG1 3.9Å; I677-K712 VanDerWaalsContact CG2-NZ 3.28Å |
| 678 | G | 90 | Very high | 92.5 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 68% | 0.68 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.8 | -32.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D674 I675 Y676 S680 | D674-G678 PolarHBondContact O-N 3.31Å; I675-G678 PolarHBondContact O-N 3.06Å; Y676-G678 VanDerWaalsContact C-N 3.33Å; G678-S680 VanDerWaalsContact C-N 3.28Å; G678-S680 PolarHBondContact O-N 3.19Å |
| 679 | Q | 92.2 | Very high | 92.6 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4.6 | 174.8 | -69.3 | 176.7 | 2.6 | 0 | 0 | 113.8 | I675 Y676 I677 K681 | I675-Q679 WeakPolarHBondContact O-CG 3.49Å; I675-Q679 PolarHBondContact O-N 3.14Å; Y676-Q679 CarbonylContact O-C 3.59Å; Y676-Q679 PolarHBondContact O-N 3.35Å; Y676-Q679 VanDerWaalsContact O-N 3.16Å; I677-Q679 VanDerWaalsContact C-N 3.31Å; I677-Q679 PolarHBondContact O-N 3.01Å; Q679-K681 HydrophobicContact CB-CD 4.48Å; Q679-K681 HydrophobicContact CB-CG 4.21Å; Q679-K681 PolarHBondContact O-N 2.91Å |
| 680 | S | 90 | Very high | 92.5 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 20.9 | -173.4 | -54.2 | 0 | 0 | 0 | 0 | 114.8 | Y676 I677 G678 N682 | Y676-S680 PolarHBondContact O-N 3.49Å; Y676-S680 VanDerWaalsContact O-N 3.15Å; I677-S680 PolarHBondContact O-N 2.89Å; G678-S680 VanDerWaalsContact C-N 3.28Å; G678-S680 PolarHBondContact O-N 3.19Å; S680-N682 VanDerWaalsContact C-N 3.29Å; S680-N682 PolarHBondContact O-N 3.17Å; S680-N682 VanDerWaalsContact O-N 3.14Å |
| 681 | K | 93.2 | Very high | 92.4 | Very high | 98 Ų | 98 | 49 Ų | 49 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | trans | -89.2 | 64.5 | 176.8 | -66.8 | -172.3 | 175.9 | -167.4 | 0 | 110.5 | Y676 Q679 E683 H684 A685 | Y676-K681 HydrophobicContact CD1-CB 3.96Å; Y676-K681 HydrophobicContact CD1-CD 4.21Å; Y676-K681 HydrophobicContact CE1-CD 4.47Å; Y676-K681 PolarHBondContact O-N 3.15Å; Q679-K681 HydrophobicContact CB-CD 4.48Å; Q679-K681 HydrophobicContact CB-CG 4.21Å; Q679-K681 PolarHBondContact O-N 2.91Å; K681-E683 PolarHBondContact O-N 2.92Å; K681-H684 PolarHBondContact O-N 3.14Å; K681-A685 PolarHBondContact O-N 3.18Å; K681-A685 VanDerWaalsContact O-N 3.15Å | ||
| 682 | N | 92 | Very high | 92.4 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -37.6 | -169.3 | -67 | -23.6 | 0 | 0 | 0 | 113.8 | S680 A685 L686 I709 | S680-N682 VanDerWaalsContact C-N 3.29Å; S680-N682 PolarHBondContact O-N 3.17Å; S680-N682 VanDerWaalsContact O-N 3.14Å; N682-A685 PolarHBondContact O-N 3.37Å; N682-L686 WeakPolarHBondContact O-CG 3.14Å; N682-L686 PolarHBondContact O-N 3.47Å; N682-I709 HydrophobicContact CB-CG2 3.81Å |
| 683 | E | 92.9 | Very high | 92.2 | Very high | 146 Ų | 146 | 50.7 Ų | 50.7 | 68% | 0.682 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.5 | -45.8 | 179.5 | -66.1 | 178.9 | 165.9 | 0 | 0 | 111.8 | K681 A685 L686 E687 | K681-E683 PolarHBondContact O-N 2.92Å; E683-A685 VanDerWaalsContact C-N 3.32Å; E683-A685 PolarHBondContact O-N 3.07Å; E683-L686 PolarHBondContact O-N 2.97Å; E683-E687 PolarHBondContact O-N 3.18Å |
| 684 | H | 93 | Very high | 91.9 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 38% | 0.375 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 178.9 | -61.5 | 29.3 | 0 | 0 | 0 | 111.2 | Y676 K681 E687 V688 | Y676-H684 HydrophobicContact CD1-CB 4.09Å; Y676-H684 HydrophobicContact CD2-CB 4.16Å; Y676-H684 HydrophobicContact CE1-CB 4.06Å; Y676-H684 HydrophobicContact CE2-CB 4.15Å; Y676-H684 HydrophobicContact CG-CB 4.15Å; K681-H684 PolarHBondContact O-N 3.14Å; H684-E687 PolarHBondContact O-N 3.44Å; H684-V688 WeakPolarHBondContact O-CG2 3.36Å; H684-V688 PolarHBondContact O-N 2.65Å |
| 685 | A | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I677 K681 N682 E683 E687 V688 L689 I709 | I677-A685 HydrophobicContact CG1-CB 3.81Å; K681-A685 PolarHBondContact O-N 3.18Å; K681-A685 VanDerWaalsContact O-N 3.15Å; N682-A685 PolarHBondContact O-N 3.37Å; E683-A685 VanDerWaalsContact C-N 3.32Å; E683-A685 PolarHBondContact O-N 3.07Å; A685-E687 VanDerWaalsContact C-N 3.34Å; A685-E687 PolarHBondContact O-N 3.21Å; A685-V688 PolarHBondContact O-N 2.91Å; A685-L689 WeakPolarHBondContact O-CB 3.29Å; A685-L689 WeakPolarHBondContact O-CD1 3.16Å; A685-L689 WeakPolarHBondContact O-CG 3.45Å; A685-L689 PolarHBondContact O-N 3.4Å; A685-I709 HydrophobicContact CB-CD1 3.63Å |
| 686 | L | 93.6 | Very high | 91.1 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 177.8 | -74.5 | 171.9 | 0 | 0 | 0 | 112.7 | N682 E683 L689 K690 M706 I709 | N682-L686 WeakPolarHBondContact O-CG 3.14Å; N682-L686 PolarHBondContact O-N 3.47Å; E683-L686 PolarHBondContact O-N 2.97Å; L686-L689 PolarHBondContact O-N 3.35Å; L686-K690 WeakPolarHBondContact O-CB 3.32Å; L686-K690 WeakPolarHBondContact O-CG 3.47Å; L686-K690 PolarHBondContact O-N 3Å; L686-M706 HydrophobicContact CD2-CG 4.18Å; L686-I709 HydrophobicContact CD1-CG2 3.92Å; L686-I709 HydrophobicContact CD2-CB 4.28Å; L686-I709 HydrophobicContact CD2-CD1 3.94Å; L686-I709 HydrophobicContact CD2-CG2 4.07Å; L686-I709 HydrophobicContact CG-CD1 4Å; L686-I709 HydrophobicContact CG-CG2 3.91Å |
| 687 | E | 93.5 | Very high | 90.6 | Very high | 122 Ų | 122 | 58.8 Ų | 58.8 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61 | -48.3 | 174.9 | -72.8 | 172.7 | -179.3 | 0 | 0 | 111.7 | E683 H684 A685 L689 K690 T691 | E683-E687 PolarHBondContact O-N 3.18Å; H684-E687 PolarHBondContact O-N 3.44Å; A685-E687 VanDerWaalsContact C-N 3.34Å; A685-E687 PolarHBondContact O-N 3.21Å; E687-L689 VanDerWaalsContact C-N 3.34Å; E687-L689 PolarHBondContact O-N 3.09Å; E687-K690 PolarHBondContact O-N 2.86Å; E687-T691 PolarHBondContact O-N 3.42Å; E687-T691 VanDerWaalsContact O-N 3.08Å |
| 688 | V | 93.7 | Very high | 90.2 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 112 | L653 W669 L672 A673 Y676 H684 A685 T691 C692 | L653-V688 HydrophobicContact CD2-CG2 4.08Å; W669-V688 HydrophobicContact CB-CG1 3.71Å; W669-V688 HydrophobicContact CG-CG1 4.27Å; W669-V688 VanDerWaalsContact O-CG1 3.3Å; W669-V688 WeakPolarHBondContact O-CG1 3.28Å; L672-V688 HydrophobicContact CB-CG1 4.49Å; L672-V688 HydrophobicContact CD2-CG1 4.34Å; L672-V688 HydrophobicContact CD2-CG2 4.02Å; L672-V688 HydrophobicContact CG-CG2 4.47Å; A673-V688 HydrophobicContact CB-CG1 4.5Å; Y676-V688 HydrophobicContact CD2-CG2 4.47Å; Y676-V688 HydrophobicContact CE2-CG2 4.16Å; H684-V688 WeakPolarHBondContact O-CG2 3.36Å; H684-V688 PolarHBondContact O-N 2.65Å; A685-V688 PolarHBondContact O-N 2.91Å; V688-T691 WeakPolarHBondContact CA-OG1 3.36Å; V688-T691 PolarHBondContact O-N 3.45Å; V688-T691 PolarHBondContact O-OG1 3.43Å; V688-C692 PolarHBondContact O-N 3.16Å; V688-C692 VanDerWaalsContact O-N 3.07Å |
| 689 | L | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 176.1 | -67.8 | 165.9 | 0 | 0 | 0 | 111.6 | L670 A673 A685 L686 E687 T691 C692 V693 A702 Y705 M706 I709 | L670-L689 HydrophobicContact CD2-CD2 4.19Å; A673-L689 HydrophobicContact CB-CD1 4.32Å; A673-L689 HydrophobicContact CB-CD2 3.73Å; A673-L689 HydrophobicContact CB-CG 3.83Å; A685-L689 WeakPolarHBondContact O-CB 3.29Å; A685-L689 WeakPolarHBondContact O-CD1 3.16Å; A685-L689 WeakPolarHBondContact O-CG 3.45Å; A685-L689 PolarHBondContact O-N 3.4Å; L686-L689 PolarHBondContact O-N 3.35Å; E687-L689 VanDerWaalsContact C-N 3.34Å; E687-L689 PolarHBondContact O-N 3.09Å; L689-T691 VanDerWaalsContact C-N 3.33Å; L689-T691 PolarHBondContact O-N 3.11Å; L689-C692 WeakPolarHBondContact O-CB 3.31Å; L689-C692 PolarHBondContact O-N 3.3Å; L689-V693 WeakPolarHBondContact O-CG2 3.42Å; L689-V693 PolarHBondContact O-N 3.41Å; L689-A702 HydrophobicContact CD2-CB 4.1Å; L689-Y705 HydrophobicContact CD2-CD2 4.05Å; L689-Y705 HydrophobicContact CD2-CG 4.43Å; L689-M706 HydrophobicContact CB-CG 3.74Å; L689-M706 HydrophobicContact CB-SD 4.16Å; L689-M706 HydrophobicContact CD1-CG 3.83Å; L689-M706 HydrophobicContact CG-CG 4.34Å; L689-I709 HydrophobicContact CD1-CD1 3.65Å |
| 690 | K | 92.7 | Very high | 89.9 | Confident | 131 Ų | 131 | 55.2 Ų | 55.2 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63 | -38.5 | 173.2 | -76.5 | 171.8 | -176.9 | 178.7 | 0 | 111.8 | L686 E687 V693 K694 | L686-K690 WeakPolarHBondContact O-CB 3.32Å; L686-K690 WeakPolarHBondContact O-CG 3.47Å; L686-K690 PolarHBondContact O-N 3Å; E687-K690 PolarHBondContact O-N 2.86Å; K690-V693 PolarHBondContact O-N 2.97Å; K690-K694 WeakPolarHBondContact O-CB 3.42Å; K690-K694 PolarHBondContact O-N 3.27Å |
| 691 | T | 90 | Very high | 89.8 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 173.5 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | E687 V688 L689 K694 H695 | E687-T691 PolarHBondContact O-N 3.42Å; E687-T691 VanDerWaalsContact O-N 3.08Å; V688-T691 WeakPolarHBondContact CA-OG1 3.36Å; V688-T691 PolarHBondContact O-N 3.45Å; V688-T691 PolarHBondContact O-OG1 3.43Å; L689-T691 VanDerWaalsContact C-N 3.33Å; L689-T691 PolarHBondContact O-N 3.11Å; T691-K694 WeakPolarHBondContact O-CB 3.37Å; T691-K694 PolarHBondContact O-N 3.01Å; T691-H695 PolarHBondContact O-CD2 3.47Å; T691-H695 VanDerWaalsContact O-CD2 3.29Å; T691-H695 PolarHBondContact O-N 2.91Å |
| 692 | C | 90 | Very high | 89.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | W669 V688 L689 K694 H695 N696 A702 | W669-C692 HydrophobicContact CB-CB 4.49Å; W669-C692 HydrophobicContact CE3-CB 3.94Å; V688-C692 PolarHBondContact O-N 3.16Å; V688-C692 VanDerWaalsContact O-N 3.07Å; L689-C692 WeakPolarHBondContact O-CB 3.31Å; L689-C692 PolarHBondContact O-N 3.3Å; C692-K694 VanDerWaalsContact C-N 3.32Å; C692-K694 PolarHBondContact O-N 3.38Å; C692-H695 PolarHBondContact O-N 3.48Å; C692-N696 PolarHBondContact O-N 2.87Å; C692-A702 HydrophobicContact CB-CB 4.38Å |
| 693 | V | 89.3 | Confident | 89.8 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -30.7 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 112.6 | L689 K690 H695 N696 A697 A702 M706 | L689-V693 WeakPolarHBondContact O-CG2 3.42Å; L689-V693 PolarHBondContact O-N 3.41Å; K690-V693 PolarHBondContact O-N 2.97Å; V693-H695 VanDerWaalsContact C-N 3.31Å; V693-H695 PolarHBondContact O-N 3.37Å; V693-N696 CarbonylContact O-C 3.6Å; V693-A697 WeakPolarHBondContact O-CA 3.47Å; V693-A697 PolarHBondContact O-N 3.19Å; V693-A697 VanDerWaalsContact O-N 3.17Å; V693-A702 HydrophobicContact CG2-CB 3.88Å; V693-M706 HydrophobicContact CG2-SD 3.96Å |
| 694 | K | 86.9 | Confident | 89.8 | Confident | 119 Ų | 119 | 41.3 Ų | 41.3 | 52% | 0.517 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -41.2 | 175.2 | -177.9 | -172.8 | 174.2 | -168 | 0 | 111.7 | N470 K690 T691 C692 | N470-K694 WeakPolarHBondContact ND2-CE 3.01Å; K690-K694 WeakPolarHBondContact O-CB 3.42Å; K690-K694 PolarHBondContact O-N 3.27Å; T691-K694 WeakPolarHBondContact O-CB 3.37Å; T691-K694 PolarHBondContact O-N 3.01Å; C692-K694 VanDerWaalsContact C-N 3.32Å; C692-K694 PolarHBondContact O-N 3.38Å |
| 695 | H | 83.7 | Confident | 89.8 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -90.9 | -32.3 | -179.4 | -68.3 | -71.4 | 0 | 0 | 0 | 113.3 | Y467 W657 W669 T691 C692 V693 | Y467-H695 PolarHBondContact OH-O 2.78Å; W657-H695 AromaticContact CD1-CG 3.83Å; W657-H695 AromaticContact CD1-ND1 3.89Å; W657-H695 AromaticContact CD2-ND1 3.79Å; W657-H695 AromaticContact CG-CE1 3.96Å; W657-H695 AromaticContact CG-ND1 3.72Å; W657-H695 AromaticContact NE1-CG 3.86Å; W669-H695 AromaticContact CH2-CD2 3.62Å; W669-H695 HydrophobicContact CZ3-CB 4.34Å; W669-H695 AromaticContact CZ3-CD2 4Å; T691-H695 PolarHBondContact O-CD2 3.47Å; T691-H695 VanDerWaalsContact O-CD2 3.29Å; T691-H695 PolarHBondContact O-N 2.91Å; C692-H695 PolarHBondContact O-N 3.48Å; V693-H695 VanDerWaalsContact C-N 3.31Å; V693-H695 PolarHBondContact O-N 3.37Å |
| 696 | N | 83.4 | Confident | 89.8 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | trans | -133.4 | 88.6 | 175.9 | -175 | 1.4 | 0 | 0 | 0 | 110.7 | E666 C692 V693 S698 C699 | E666-N696 PolarHBondContact OE2-ND2 3.02Å; C692-N696 PolarHBondContact O-N 2.87Å; V693-N696 CarbonylContact O-C 3.6Å; N696-S698 PolarHBondContact O-N 2.91Å; N696-S698 VanDerWaalsContact O-N 3.13Å; N696-S698 WeakPolarHBondContact OD1-CA 3.21Å; N696-S698 PolarHBondContact OD1-N 3.31Å; N696-S698 PolarHBondContact OD1-OG 3.07Å; N696-C699 HydrophobicContact CB-CB 4.37Å; N696-C699 WeakPolarHBondContact O-CB 3.49Å; N696-C699 PolarHBondContact O-N 3.36Å; N696-C699 PolarHBondContact OD1-N 3.03Å | ||
| 697 | A | 83.7 | Confident | 89.8 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -10.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V693 M703 | V693-A697 WeakPolarHBondContact O-CA 3.47Å; V693-A697 PolarHBondContact O-N 3.19Å; V693-A697 VanDerWaalsContact O-N 3.17Å; A697-M703 WeakPolarHBondContact O-CE 3.39Å |
| 698 | S | 83.4 | Confident | 89.8 | Confident | 48 Ų | 48 | 33.7 Ų | 33.7 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.8 | 178.5 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | N696 I700 | N696-S698 PolarHBondContact O-N 2.91Å; N696-S698 VanDerWaalsContact O-N 3.13Å; N696-S698 WeakPolarHBondContact OD1-CA 3.21Å; N696-S698 PolarHBondContact OD1-N 3.31Å; N696-S698 PolarHBondContact OD1-OG 3.07Å; S698-I700 PolarHBondContact O-N 3.15Å |
| 699 | C | 87.5 | Confident | 89.7 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | trans | -68.2 | 101.1 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | E666 N696 K701 A702 M703 | E666-C699 PolarHBondContact OE1-SG 3.45Å; N696-C699 HydrophobicContact CB-CB 4.37Å; N696-C699 WeakPolarHBondContact O-CB 3.49Å; N696-C699 PolarHBondContact O-N 3.36Å; N696-C699 PolarHBondContact OD1-N 3.03Å; C699-K701 VanDerWaalsContact C-N 3.34Å; C699-K701 PolarHBondContact O-N 3.4Å; C699-A702 HydrophobicContact CB-CB 3.88Å; C699-A702 PolarHBondContact O-N 3.38Å; C699-A702 PolarHBondContact SG-N 3.44Å; C699-A702 VanDerWaalsContact SG-N 3.42Å; C699-M703 PolarHBondContact O-N 2.93Å | ||
| 700 | I | 88.4 | Confident | 89.7 | Confident | 25 Ų | 25 | 33.7 Ų | 33.7 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | -179.6 | -60.2 | 171.9 | 0 | 0 | 0 | 111.2 | K523 S698 A702 M703 D704 A726 L729 I737 | K523-I700 WeakPolarHBondContact O-CD1 3.41Å; S698-I700 PolarHBondContact O-N 3.15Å; I700-A702 PolarHBondContact O-N 2.9Å; I700-M703 PolarHBondContact O-N 2.79Å; I700-D704 PolarHBondContact O-N 3.43Å; I700-A726 HydrophobicContact CG2-CB 4.29Å; I700-L729 HydrophobicContact CD1-CB 4.36Å; I700-L729 HydrophobicContact CG1-CB 3.86Å; I700-I737 HydrophobicContact CG2-CD1 3.39Å |
| 701 | K | 88.6 | Confident | 89.7 | Confident | 29 Ų | 29 | 29.9 Ų | 29.9 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | -179.9 | -67.9 | 177.1 | -169.5 | -177.3 | 0 | 113.1 | N560 E667 L670 C699 M703 D704 Y705 | N560-K701 VanDerWaalsContact CG-NZ 3.29Å; N560-K701 WeakPolarHBondContact ND2-CE 3.4Å; N560-K701 WeakPolarHBondContact O-CE 3.46Å; N560-K701 PolarHBondContact O-NZ 2.87Å; N560-K701 WeakPolarHBondContact OD1-CE 3.45Å; N560-K701 PolarHBondContact OD1-NZ 3.05Å; E667-K701 IonicContact OE1-NZ 2.86Å; E667-K701 PolarHBondContact OE1-NZ 3.03Å; L670-K701 HydrophobicContact CD1-CB 3.99Å; L670-K701 HydrophobicContact CD1-CD 3.72Å; L670-K701 HydrophobicContact CD2-CB 3.96Å; C699-K701 VanDerWaalsContact C-N 3.34Å; C699-K701 PolarHBondContact O-N 3.4Å; K701-M703 VanDerWaalsContact C-N 3.29Å; K701-M703 PolarHBondContact O-N 2.81Å; K701-D704 PolarHBondContact O-N 3.37Å; K701-Y705 PolarHBondContact O-N 2.98Å |
| 702 | A | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L670 L689 C692 V693 C699 I700 Y705 M706 | L670-A702 HydrophobicContact CD2-CB 4.08Å; L689-A702 HydrophobicContact CD2-CB 4.1Å; C692-A702 HydrophobicContact CB-CB 4.38Å; V693-A702 HydrophobicContact CG2-CB 3.88Å; C699-A702 HydrophobicContact CB-CB 3.88Å; C699-A702 PolarHBondContact O-N 3.38Å; C699-A702 PolarHBondContact SG-N 3.44Å; C699-A702 VanDerWaalsContact SG-N 3.42Å; I700-A702 PolarHBondContact O-N 2.9Å; A702-Y705 PolarHBondContact O-N 3.18Å; A702-M706 VanDerWaalsContact O-CG 3.28Å; A702-M706 WeakPolarHBondContact O-CG 3.37Å; A702-M706 PolarHBondContact O-N 3.02Å |
| 703 | M | 92.7 | Very high | 89.8 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 174.3 | -64 | -174.7 | -177 | 0 | 0 | 112.7 | A697 C699 I700 K701 M706 G707 K725 A726 L729 | A697-M703 WeakPolarHBondContact O-CE 3.39Å; C699-M703 PolarHBondContact O-N 2.93Å; I700-M703 PolarHBondContact O-N 2.79Å; K701-M703 VanDerWaalsContact C-N 3.29Å; K701-M703 PolarHBondContact O-N 2.81Å; M703-M706 PolarHBondContact O-N 3.16Å; M703-G707 PolarHBondContact O-N 3.27Å; M703-K725 HydrophobicContact CE-CB 4.11Å; M703-K725 HydrophobicContact CE-CD 4.41Å; M703-K725 HydrophobicContact SD-CB 3.38Å; M703-K725 WeakPolarHBondContact SD-CB 3.3Å; M703-K725 HydrophobicContact SD-CD 4.44Å; M703-A726 HydrophobicContact CB-CB 3.78Å; M703-A726 HydrophobicContact SD-CB 4.44Å; M703-L729 HydrophobicContact CE-CD1 3.53Å; M703-L729 HydrophobicContact SD-CD1 3.56Å; M703-L729 VanDerWaalsContact SD-CD1 3.56Å |
| 704 | D | 92.2 | Very high | 90 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -48.6 | 172.9 | -175.7 | 29.5 | 0 | 0 | 0 | 110.4 | I700 K701 M706 G707 T708 Y723 K740 | I700-D704 PolarHBondContact O-N 3.43Å; K701-D704 PolarHBondContact O-N 3.37Å; D704-M706 PolarHBondContact O-N 3.23Å; D704-G707 CarbonylContact O-C 3.6Å; D704-G707 PolarHBondContact O-N 3.33Å; D704-T708 VanDerWaalsContact O-CG2 3.3Å; D704-T708 WeakPolarHBondContact O-CG2 3.31Å; D704-T708 PolarHBondContact O-N 2.92Å; D704-Y723 VanDerWaalsContact OD1-CE1 3.3Å; D704-Y723 WeakPolarHBondContact OD1-CE1 3.33Å; D704-K740 WeakPolarHBondContact OD1-CD 3.46Å; D704-K740 IonicContact OD1-NZ 2.77Å; D704-K740 PolarHBondContact OD1-NZ 3.15Å; D704-K740 IonicContact OD2-NZ 3.51Å; D704-K740 PolarHBondContact OD2-NZ 2.75Å |
| 705 | Y | 93 | Very high | 90.2 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.8 | -74.7 | -35.6 | 0 | 0 | 0 | 113.4 | V562 L670 D674 I677 L689 K701 A702 G707 T708 I709 | V562-Y705 WeakPolarHBondContact CG2-OH 3.25Å; L670-Y705 HydrophobicContact CB-CE2 4.41Å; L670-Y705 HydrophobicContact CD2-CD2 3.88Å; L670-Y705 HydrophobicContact CD2-CE2 4.1Å; D674-Y705 HydrophobicContact CB-CE2 4.37Å; D674-Y705 PolarHBondContact OD1-OH 2.85Å; I677-Y705 HydrophobicContact CD1-CD1 3.69Å; I677-Y705 HydrophobicContact CD1-CE1 4.37Å; I677-Y705 HydrophobicContact CD1-CG 3.81Å; L689-Y705 HydrophobicContact CD2-CD2 4.05Å; L689-Y705 HydrophobicContact CD2-CG 4.43Å; K701-Y705 PolarHBondContact O-N 2.98Å; A702-Y705 PolarHBondContact O-N 3.18Å; Y705-G707 VanDerWaalsContact C-N 3.34Å; Y705-G707 PolarHBondContact O-N 3.24Å; Y705-T708 WeakPolarHBondContact CA-OG1 3.5Å; Y705-T708 PolarHBondContact O-N 3.2Å; Y705-T708 PolarHBondContact O-OG1 3.39Å; Y705-I709 VanDerWaalsContact O-CG1 3.32Å; Y705-I709 WeakPolarHBondContact O-CG1 3.36Å; Y705-I709 PolarHBondContact O-N 3.4Å |
| 706 | M | 94 | Very high | 90.7 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 173.5 | -71.8 | 178.8 | 63.2 | 0 | 0 | 111.6 | L686 L689 V693 A702 M703 D704 I709 S710 D722 | L686-M706 HydrophobicContact CD2-CG 4.18Å; L689-M706 HydrophobicContact CB-CG 3.74Å; L689-M706 HydrophobicContact CB-SD 4.16Å; L689-M706 HydrophobicContact CD1-CG 3.83Å; L689-M706 HydrophobicContact CG-CG 4.34Å; V693-M706 HydrophobicContact CG2-SD 3.96Å; A702-M706 VanDerWaalsContact O-CG 3.28Å; A702-M706 WeakPolarHBondContact O-CG 3.37Å; A702-M706 PolarHBondContact O-N 3.02Å; M703-M706 PolarHBondContact O-N 3.16Å; D704-M706 PolarHBondContact O-N 3.23Å; M706-I709 PolarHBondContact O-N 2.97Å; M706-S710 WeakPolarHBondContact O-CB 3.29Å; M706-S710 PolarHBondContact O-N 3.21Å; M706-S710 PolarHBondContact O-OG 3.3Å; M706-D722 HydrophobicContact CB-CB 4.49Å |
| 707 | G | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M703 D704 Y705 I709 S710 Q711 Y723 | M703-G707 PolarHBondContact O-N 3.27Å; D704-G707 CarbonylContact O-C 3.6Å; D704-G707 PolarHBondContact O-N 3.33Å; Y705-G707 VanDerWaalsContact C-N 3.34Å; Y705-G707 PolarHBondContact O-N 3.24Å; G707-I709 PolarHBondContact O-N 3.41Å; G707-S710 PolarHBondContact O-N 3.48Å; G707-Q711 VanDerWaalsContact O-CB 3.23Å; G707-Q711 WeakPolarHBondContact O-CB 3.46Å; G707-Q711 PolarHBondContact O-N 3.02Å; G707-Y723 VanDerWaalsContact C-OH 3.29Å |
| 708 | T | 92.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 178 | 64 | 0 | 0 | 0 | 0 | 112.3 | D704 Y705 Q711 K712 Y723 | D704-T708 VanDerWaalsContact O-CG2 3.3Å; D704-T708 WeakPolarHBondContact O-CG2 3.31Å; D704-T708 PolarHBondContact O-N 2.92Å; Y705-T708 WeakPolarHBondContact CA-OG1 3.5Å; Y705-T708 PolarHBondContact O-N 3.2Å; Y705-T708 PolarHBondContact O-OG1 3.39Å; T708-Q711 PolarHBondContact O-N 2.93Å; T708-K712 WeakPolarHBondContact O-CG 3.42Å; T708-K712 PolarHBondContact O-N 3.17Å; T708-Y723 VanDerWaalsContact CA-OH 3.28Å; T708-Y723 WeakPolarHBondContact CA-OH 3.44Å; T708-Y723 VanDerWaalsContact CG2-OH 3.29Å; T708-Y723 WeakPolarHBondContact CG2-OH 3.4Å; T708-Y723 PolarHBondContact N-OH 3.32Å; T708-Y723 VanDerWaalsContact N-OH 3.13Å |
| 709 | I | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -48.5 | 173.8 | -66.9 | 164.7 | 0 | 0 | 0 | 110 | I677 N682 A685 L686 L689 Y705 M706 G707 Q711 K712 L713 | I677-I709 HydrophobicContact CD1-CD1 3.95Å; I677-I709 HydrophobicContact CD1-CG1 4.07Å; I677-I709 HydrophobicContact CG1-CD1 3.86Å; I677-I709 HydrophobicContact CG1-CG1 3.9Å; N682-I709 HydrophobicContact CB-CG2 3.81Å; A685-I709 HydrophobicContact CB-CD1 3.63Å; L686-I709 HydrophobicContact CD1-CG2 3.92Å; L686-I709 HydrophobicContact CD2-CB 4.28Å; L686-I709 HydrophobicContact CD2-CD1 3.94Å; L686-I709 HydrophobicContact CD2-CG2 4.07Å; L686-I709 HydrophobicContact CG-CD1 4Å; L686-I709 HydrophobicContact CG-CG2 3.91Å; L689-I709 HydrophobicContact CD1-CD1 3.65Å; Y705-I709 VanDerWaalsContact O-CG1 3.32Å; Y705-I709 WeakPolarHBondContact O-CG1 3.36Å; Y705-I709 PolarHBondContact O-N 3.4Å; M706-I709 PolarHBondContact O-N 2.97Å; G707-I709 PolarHBondContact O-N 3.41Å; I709-Q711 VanDerWaalsContact C-N 3.27Å; I709-Q711 PolarHBondContact O-N 3.25Å; I709-K712 WeakPolarHBondContact O-CB 3.43Å; I709-K712 PolarHBondContact O-N 2.94Å; I709-K712 VanDerWaalsContact O-N 3.14Å; I709-L713 HydrophobicContact CG2-CD1 3.92Å; I709-L713 HydrophobicContact CG2-CG 4.44Å; I709-L713 WeakPolarHBondContact O-CG 3.25Å; I709-L713 PolarHBondContact O-N 3.31Å |
| 710 | S | 93.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -38.9 | 176.8 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | M706 G707 L713 Q714 L715 | M706-S710 WeakPolarHBondContact O-CB 3.29Å; M706-S710 PolarHBondContact O-N 3.21Å; M706-S710 PolarHBondContact O-OG 3.3Å; G707-S710 PolarHBondContact O-N 3.48Å; S710-L713 CarbonylContact O-C 3.51Å; S710-L713 PolarHBondContact O-N 3.16Å; S710-Q714 PolarHBondContact O-N 3.44Å; S710-Q714 VanDerWaalsContact O-N 3.12Å; S710-L715 PolarHBondContact O-N 3.1Å |
| 711 | Q | 92.8 | Very high | 92.5 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 174.5 | -179.6 | 179.2 | -5.6 | 0 | 0 | 111.8 | G707 T708 I709 L713 Q714 W716 A719 Y723 | G707-Q711 VanDerWaalsContact O-CB 3.23Å; G707-Q711 WeakPolarHBondContact O-CB 3.46Å; G707-Q711 PolarHBondContact O-N 3.02Å; T708-Q711 PolarHBondContact O-N 2.93Å; I709-Q711 VanDerWaalsContact C-N 3.27Å; I709-Q711 PolarHBondContact O-N 3.25Å; Q711-L713 VanDerWaalsContact C-N 3.26Å; Q711-L713 PolarHBondContact O-N 3.1Å; Q711-Q714 PolarHBondContact O-N 3.42Å; Q711-Q714 VanDerWaalsContact O-N 3.08Å; Q711-W716 HydrophobicContact CG-CZ3 4Å; Q711-A719 HydrophobicContact CB-CB 4.47Å; Q711-Y723 PolarHBondContact OE1-OH 3.04Å |
| 712 | K | 90.9 | Very high | 92.8 | Very high | 120 Ų | 120 | 48.6 Ų | 48.6 | 52% | 0.522 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.2 | -34.8 | 174.2 | -76.9 | 179.8 | -178.8 | -175.8 | 0 | 112.2 | I677 T708 I709 Q714 | I677-K712 VanDerWaalsContact CG2-NZ 3.28Å; T708-K712 WeakPolarHBondContact O-CG 3.42Å; T708-K712 PolarHBondContact O-N 3.17Å; I709-K712 WeakPolarHBondContact O-CB 3.43Å; I709-K712 PolarHBondContact O-N 2.94Å; I709-K712 VanDerWaalsContact O-N 3.14Å; K712-Q714 VanDerWaalsContact C-N 3.29Å |
| 713 | L | 91.7 | Very high | 92.9 | Very high | 83 Ų | 83 | 48.6 Ų | 48.6 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 2.4 | 176.3 | -63.9 | 175.3 | 0 | 0 | 0 | 113.7 | I709 S710 Q711 L715 | I709-L713 HydrophobicContact CG2-CD1 3.92Å; I709-L713 HydrophobicContact CG2-CG 4.44Å; I709-L713 WeakPolarHBondContact O-CG 3.25Å; I709-L713 PolarHBondContact O-N 3.31Å; S710-L713 CarbonylContact O-C 3.51Å; S710-L713 PolarHBondContact O-N 3.16Å; Q711-L713 VanDerWaalsContact C-N 3.26Å; Q711-L713 PolarHBondContact O-N 3.1Å; L713-L715 HydrophobicContact CB-CD1 4.18Å; L713-L715 HydrophobicContact CB-CG 4.13Å; L713-L715 HydrophobicContact CD1-CD1 4.44Å; L713-L715 PolarHBondContact O-N 3.02Å |
| 714 | Q | 91.6 | Very high | 92.9 | Very high | 140 Ų | 140 | 50.9 Ų | 50.9 | 65% | 0.654 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 23.3 | -177.5 | -54.2 | -177.5 | -3.5 | 0 | 0 | 114.8 | S710 Q711 K712 W716 | S710-Q714 PolarHBondContact O-N 3.44Å; S710-Q714 VanDerWaalsContact O-N 3.12Å; Q711-Q714 PolarHBondContact O-N 3.42Å; Q711-Q714 VanDerWaalsContact O-N 3.08Å; K712-Q714 VanDerWaalsContact C-N 3.29Å; Q714-W716 VanDerWaalsContact C-N 3.28Å; Q714-W716 HydrophobicContact CB-CZ2 4.16Å; Q714-W716 HydrophobicContact CG-CZ2 4.19Å; Q714-W716 VanDerWaalsContact O-CD1 3.26Å; Q714-W716 PolarHBondContact O-N 3.17Å; Q714-W716 PolarHBondContact O-NE1 3.09Å |
| 715 | L | 93 | Very high | 92.9 | Very high | 84 Ų | 84 | 55 Ų | 55 | 44% | 0.44 | 26% | 0.262 | S | S | . | . | trans | -84.9 | 69.8 | 175 | -62.6 | 175.4 | 0 | 0 | 0 | 109.8 | S710 L713 K717 N718 A719 | S710-L715 PolarHBondContact O-N 3.1Å; L713-L715 HydrophobicContact CB-CD1 4.18Å; L713-L715 HydrophobicContact CB-CG 4.13Å; L713-L715 HydrophobicContact CD1-CD1 4.44Å; L713-L715 PolarHBondContact O-N 3.02Å; L715-K717 VanDerWaalsContact C-N 3.3Å; L715-K717 PolarHBondContact O-N 3.44Å; L715-N718 HydrophobicContact CB-CB 4.26Å; L715-N718 PolarHBondContact O-N 2.59Å; L715-N718 VanDerWaalsContact O-N 3.09Å; L715-A719 PolarHBondContact O-N 3.14Å | ||
| 716 | W | 92.4 | Very high | 92.8 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -39.4 | -170 | -54.9 | 111.5 | 0 | 0 | 0 | 114 | Q711 Q714 A719 T720 Y743 K747 A748 | Q711-W716 HydrophobicContact CG-CZ3 4Å; Q714-W716 VanDerWaalsContact C-N 3.28Å; Q714-W716 HydrophobicContact CB-CZ2 4.16Å; Q714-W716 HydrophobicContact CG-CZ2 4.19Å; Q714-W716 VanDerWaalsContact O-CD1 3.26Å; Q714-W716 PolarHBondContact O-N 3.17Å; Q714-W716 PolarHBondContact O-NE1 3.09Å; W716-A719 PolarHBondContact O-N 2.71Å; W716-T720 WeakPolarHBondContact O-CG2 3.44Å; W716-T720 PolarHBondContact O-N 2.62Å; W716-T720 PolarHBondContact O-OG1 3.29Å; W716-Y743 HydrophobicContact CH2-CE1 4.14Å; W716-Y743 HydrophobicContact CZ3-CD1 4.37Å; W716-Y743 AromaticContact CZ3-CE1 3.98Å; W716-Y743 HydrophobicContact CZ3-CE1 3.98Å; W716-K747 HydrophobicContact CD2-CB 3.47Å; W716-K747 VanDerWaalsContact CD2-CB 3.47Å; W716-K747 HydrophobicContact CD2-CG 4.18Å; W716-K747 HydrophobicContact CE3-CB 3.52Å; W716-K747 HydrophobicContact CE3-CG 3.94Å; W716-K747 HydrophobicContact CG-CB 3.94Å; W716-K747 HydrophobicContact CH2-CB 4.28Å; W716-K747 HydrophobicContact CH2-CD 4.42Å; W716-K747 HydrophobicContact CH2-CG 3.9Å; W716-K747 HydrophobicContact CZ2-CB 4.23Å; W716-K747 HydrophobicContact CZ2-CD 4.33Å; W716-K747 HydrophobicContact CZ2-CG 4.12Å; W716-K747 HydrophobicContact CZ3-CB 3.92Å; W716-K747 HydrophobicContact CZ3-CG 3.79Å; W716-A748 HydrophobicContact CB-CB 4.22Å |
| 717 | K | 92 | Very high | 92.6 | Very high | 167 Ų | 167 | 52.6 Ų | 52.6 | 73% | 0.726 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 178.4 | -68.1 | -175.5 | 177.8 | -177.8 | 0 | 112.5 | L715 T720 T721 | L715-K717 VanDerWaalsContact C-N 3.3Å; L715-K717 PolarHBondContact O-N 3.44Å; K717-T720 WeakPolarHBondContact CA-OG1 3.5Å; K717-T720 PolarHBondContact O-N 3.23Å; K717-T720 PolarHBondContact O-OG1 3.26Å; K717-T721 PolarHBondContact O-N 3.45Å |
| 718 | N | 92.2 | Very high | 92.5 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.9 | -41.6 | 178.6 | -63.4 | 1.2 | 0 | 0 | 0 | 110.3 | L715 T720 T721 D722 | L715-N718 HydrophobicContact CB-CB 4.26Å; L715-N718 PolarHBondContact O-N 2.59Å; L715-N718 VanDerWaalsContact O-N 3.09Å; N718-T720 VanDerWaalsContact C-N 3.31Å; N718-T720 PolarHBondContact O-N 3.45Å; N718-T721 PolarHBondContact O-N 3.42Å; N718-T721 VanDerWaalsContact O-N 3.17Å; N718-T721 PolarHBondContact O-OG1 3.27Å; N718-D722 PolarHBondContact O-N 3.14Å |
| 719 | A | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q711 L715 W716 T721 D722 Y723 C744 | Q711-A719 HydrophobicContact CB-CB 4.47Å; L715-A719 PolarHBondContact O-N 3.14Å; W716-A719 PolarHBondContact O-N 2.71Å; A719-T721 PolarHBondContact O-N 2.97Å; A719-D722 PolarHBondContact O-N 3.36Å; A719-Y723 HydrophobicContact CB-CD2 4.38Å; A719-Y723 HydrophobicContact CB-CE2 4.32Å; A719-Y723 WeakPolarHBondContact O-CB 3.12Å; A719-Y723 WeakPolarHBondContact O-CD2 3.44Å; A719-Y723 PolarHBondContact O-N 3.45Å; A719-C744 HydrophobicContact CB-CB 4.5Å |
| 720 | T | 93.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.2 | 46.8 | 0 | 0 | 0 | 0 | 112 | W716 K717 N718 D722 E724 C744 Y745 A748 | W716-T720 WeakPolarHBondContact O-CG2 3.44Å; W716-T720 PolarHBondContact O-N 2.62Å; W716-T720 PolarHBondContact O-OG1 3.29Å; K717-T720 WeakPolarHBondContact CA-OG1 3.5Å; K717-T720 PolarHBondContact O-N 3.23Å; K717-T720 PolarHBondContact O-OG1 3.26Å; N718-T720 VanDerWaalsContact C-N 3.31Å; N718-T720 PolarHBondContact O-N 3.45Å; T720-D722 PolarHBondContact O-N 3.18Å; T720-E724 WeakPolarHBondContact O-CB 3.34Å; T720-E724 PolarHBondContact O-N 3.46Å; T720-C744 HydrophobicContact CG2-CB 3.72Å; T720-Y745 HydrophobicContact CG2-CD1 3.63Å; T720-Y745 HydrophobicContact CG2-CE1 3.94Å; T720-Y745 HydrophobicContact CG2-CG 4.38Å; T720-A748 HydrophobicContact CG2-CB 4.22Å |
| 721 | T | 94.1 | Very high | 91.3 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | K717 N718 A719 K725 | K717-T721 PolarHBondContact O-N 3.45Å; N718-T721 PolarHBondContact O-N 3.42Å; N718-T721 VanDerWaalsContact O-N 3.17Å; N718-T721 PolarHBondContact O-OG1 3.27Å; A719-T721 PolarHBondContact O-N 2.97Å; T721-K725 VanDerWaalsContact O-CG 3.3Å; T721-K725 WeakPolarHBondContact O-CG 3.48Å; T721-K725 PolarHBondContact O-N 3.22Å |
| 722 | D | 93.3 | Very high | 91 | Very high | 18 Ų | 18 | 67.6 Ų | 67.6 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.3 | -47.2 | -179.5 | -65.8 | -24.7 | 0 | 0 | 0 | 110.8 | M706 N718 A719 T720 E724 K725 A726 | M706-D722 HydrophobicContact CB-CB 4.49Å; N718-D722 PolarHBondContact O-N 3.14Å; A719-D722 PolarHBondContact O-N 3.36Å; T720-D722 PolarHBondContact O-N 3.18Å; D722-E724 PolarHBondContact O-N 3.42Å; D722-K725 PolarHBondContact O-N 3.25Å; D722-A726 PolarHBondContact O-N 2.97Å |
| 723 | Y | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 176.3 | -70.1 | -45.2 | 0 | 0 | 0 | 113 | D704 G707 T708 Q711 A719 A726 W727 K740 C744 | D704-Y723 VanDerWaalsContact OD1-CE1 3.3Å; D704-Y723 WeakPolarHBondContact OD1-CE1 3.33Å; G707-Y723 VanDerWaalsContact C-OH 3.29Å; T708-Y723 VanDerWaalsContact CA-OH 3.28Å; T708-Y723 WeakPolarHBondContact CA-OH 3.44Å; T708-Y723 VanDerWaalsContact CG2-OH 3.29Å; T708-Y723 WeakPolarHBondContact CG2-OH 3.4Å; T708-Y723 PolarHBondContact N-OH 3.32Å; T708-Y723 VanDerWaalsContact N-OH 3.13Å; Q711-Y723 PolarHBondContact OE1-OH 3.04Å; A719-Y723 HydrophobicContact CB-CD2 4.38Å; A719-Y723 HydrophobicContact CB-CE2 4.32Å; A719-Y723 WeakPolarHBondContact O-CB 3.12Å; A719-Y723 WeakPolarHBondContact O-CD2 3.44Å; A719-Y723 PolarHBondContact O-N 3.45Å; Y723-A726 PolarHBondContact O-N 3.49Å; Y723-W727 VanDerWaalsContact O-CB 3.22Å; Y723-W727 WeakPolarHBondContact O-CB 3.46Å; Y723-W727 PolarHBondContact O-N 3.49Å; Y723-K740 HydrophobicContact CD1-CB 4.34Å; Y723-K740 HydrophobicContact CD2-CB 4.24Å; Y723-K740 HydrophobicContact CE1-CB 4.01Å; Y723-K740 HydrophobicContact CE1-CD 3.81Å; Y723-K740 HydrophobicContact CE1-CG 4.49Å; Y723-K740 HydrophobicContact CE2-CB 3.87Å; Y723-K740 HydrophobicContact CG-CB 4.45Å; Y723-C744 HydrophobicContact CD2-CB 4.39Å; Y723-C744 VanDerWaalsContact CE2-SG 3.58Å |
| 724 | E | 93.7 | Very high | 90.4 | Very high | 64 Ų | 64 | 65.6 Ų | 65.6 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.9 | -171.9 | -171.2 | 170.8 | 0 | 0 | 111.1 | T720 D722 W727 K728 L741 | T720-E724 WeakPolarHBondContact O-CB 3.34Å; T720-E724 PolarHBondContact O-N 3.46Å; D722-E724 PolarHBondContact O-N 3.42Å; E724-W727 PolarHBondContact O-N 3.17Å; E724-K728 WeakPolarHBondContact O-CG 3.49Å; E724-K728 PolarHBondContact O-N 3.03Å; E724-K728 VanDerWaalsContact OE1-CE 3.27Å; E724-K728 WeakPolarHBondContact OE1-CE 3.35Å; E724-K728 IonicContact OE1-NZ 3.4Å; E724-K728 PolarHBondContact OE1-NZ 3.46Å; E724-L741 HydrophobicContact CB-CD1 4.17Å |
| 725 | K | 91.2 | Very high | 90.2 | Very high | 115 Ų | 115 | 59.5 Ų | 59.5 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 172.7 | -71.4 | 169.9 | 178.6 | 175.1 | 0 | 111 | M703 T721 D722 W727 K728 L729 | M703-K725 HydrophobicContact CE-CB 4.11Å; M703-K725 HydrophobicContact CE-CD 4.41Å; M703-K725 HydrophobicContact SD-CB 3.38Å; M703-K725 WeakPolarHBondContact SD-CB 3.3Å; M703-K725 HydrophobicContact SD-CD 4.44Å; T721-K725 VanDerWaalsContact O-CG 3.3Å; T721-K725 WeakPolarHBondContact O-CG 3.48Å; T721-K725 PolarHBondContact O-N 3.22Å; D722-K725 PolarHBondContact O-N 3.25Å; K725-W727 VanDerWaalsContact C-N 3.29Å; K725-W727 PolarHBondContact O-N 3.15Å; K725-K728 PolarHBondContact O-N 2.9Å; K725-L729 VanDerWaalsContact O-CG 3.32Å; K725-L729 WeakPolarHBondContact O-CG 3.46Å; K725-L729 PolarHBondContact O-N 3.36Å |
| 726 | A | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I700 M703 D722 Y723 L729 S730 I737 | I700-A726 HydrophobicContact CG2-CB 4.29Å; M703-A726 HydrophobicContact CB-CB 3.78Å; M703-A726 HydrophobicContact SD-CB 4.44Å; D722-A726 PolarHBondContact O-N 2.97Å; Y723-A726 PolarHBondContact O-N 3.49Å; A726-L729 PolarHBondContact O-N 2.91Å; A726-S730 WeakPolarHBondContact O-CB 3.45Å; A726-S730 PolarHBondContact O-N 3.49Å; A726-S730 PolarHBondContact O-OG 2.91Å; A726-I737 HydrophobicContact CB-CD1 4.2Å; A726-I737 HydrophobicContact CB-CG2 3.98Å |
| 727 | W | 91.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 178.2 | -175.9 | -119.9 | 0 | 0 | 0 | 113.4 | Y723 E724 K725 S730 R731 Q732 D734 I737 L741 A760 V761 L764 | Y723-W727 VanDerWaalsContact O-CB 3.22Å; Y723-W727 WeakPolarHBondContact O-CB 3.46Å; Y723-W727 PolarHBondContact O-N 3.49Å; E724-W727 PolarHBondContact O-N 3.17Å; K725-W727 VanDerWaalsContact C-N 3.29Å; K725-W727 PolarHBondContact O-N 3.15Å; W727-S730 PolarHBondContact O-OG 3.24Å; W727-S730 VanDerWaalsContact O-OG 3.14Å; W727-R731 PolarHBondContact O-N 3.48Å; W727-Q732 HydrophobicContact CD2-CB 4.22Å; W727-Q732 HydrophobicContact CD2-CG 4.19Å; W727-Q732 HydrophobicContact CG-CG 4.45Å; W727-Q732 HydrophobicContact CH2-CB 3.83Å; W727-Q732 HydrophobicContact CZ2-CB 3.43Å; W727-Q732 VanDerWaalsContact CZ2-CB 3.43Å; W727-Q732 HydrophobicContact CZ2-CG 3.92Å; W727-Q732 HydrophobicContact CZ3-CB 4.32Å; W727-Q732 PolarHBondContact O-N 3.03Å; W727-D734 WeakPolarHBondContact CZ3-O 3.4Å; W727-I737 HydrophobicContact CB-CG2 4.25Å; W727-I737 HydrophobicContact CE3-CG2 4.43Å; W727-L741 HydrophobicContact CB-CD2 3.81Å; W727-L741 HydrophobicContact CG-CD2 3.82Å; W727-A760 HydrophobicContact CZ2-CB 4.02Å; W727-V761 HydrophobicContact CH2-CG2 4.42Å; W727-L764 HydrophobicContact CH2-CD1 3.8Å; W727-L764 HydrophobicContact CZ3-CD1 4.44Å |
| 728 | K | 90.3 | Very high | 89.7 | Confident | 132 Ų | 132 | 47.1 Ų | 47.1 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.6 | -43.7 | 174.2 | -74.2 | 174.8 | -175 | 168.4 | 0 | 111.3 | E724 K725 R731 | E724-K728 WeakPolarHBondContact O-CG 3.49Å; E724-K728 PolarHBondContact O-N 3.03Å; E724-K728 VanDerWaalsContact OE1-CE 3.27Å; E724-K728 WeakPolarHBondContact OE1-CE 3.35Å; E724-K728 IonicContact OE1-NZ 3.4Å; E724-K728 PolarHBondContact OE1-NZ 3.46Å; K725-K728 PolarHBondContact O-N 2.9Å; K728-R731 PolarHBondContact O-N 3.32Å; K728-R731 VanDerWaalsContact O-N 3.12Å |
| 729 | L | 86 | Confident | 89.7 | Confident | 37 Ų | 37 | 45.6 Ų | 45.6 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 178.8 | -70.1 | 171.3 | 0 | 0 | 0 | 112.6 | E498 I700 M703 K725 A726 R731 | E498-L729 WeakPolarHBondContact OE1-CD2 3.4Å; I700-L729 HydrophobicContact CD1-CB 4.36Å; I700-L729 HydrophobicContact CG1-CB 3.86Å; M703-L729 HydrophobicContact CE-CD1 3.53Å; M703-L729 HydrophobicContact SD-CD1 3.56Å; M703-L729 VanDerWaalsContact SD-CD1 3.56Å; K725-L729 VanDerWaalsContact O-CG 3.32Å; K725-L729 WeakPolarHBondContact O-CG 3.46Å; K725-L729 PolarHBondContact O-N 3.36Å; A726-L729 PolarHBondContact O-N 2.91Å; L729-R731 PolarHBondContact O-N 3.29Å |
| 730 | S | 84.5 | Confident | 89.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 2 | 174.2 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | A726 W727 Q732 R733 | A726-S730 WeakPolarHBondContact O-CB 3.45Å; A726-S730 PolarHBondContact O-N 3.49Å; A726-S730 PolarHBondContact O-OG 2.91Å; W727-S730 PolarHBondContact O-OG 3.24Å; W727-S730 VanDerWaalsContact O-OG 3.14Å; S730-Q732 PolarHBondContact O-N 2.94Å; S730-R733 WeakPolarHBondContact O-CB 3.34Å; S730-R733 WeakPolarHBondContact O-CG 3.43Å; S730-R733 PolarHBondContact O-N 3.45Å; S730-R733 VanDerWaalsContact O-N 3.12Å |
| 731 | R | 84.5 | Confident | 89.6 | Confident | 127 Ų | 127 | 47.5 Ų | 47.5 | 48% | 0.479 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 35.3 | -174.2 | -62.9 | -177.9 | 165 | -164.9 | -4.9 | 112.9 | Y520 W727 K728 L729 R733 | Y520-R731 PolarHBondContact OH-NE 3.03Å; Y520-R731 PolarHBondContact OH-NH2 3.04Å; W727-R731 PolarHBondContact O-N 3.48Å; K728-R731 PolarHBondContact O-N 3.32Å; K728-R731 VanDerWaalsContact O-N 3.12Å; L729-R731 PolarHBondContact O-N 3.29Å; R731-R733 VanDerWaalsContact C-N 3.28Å; R731-R733 PolarHBondContact O-N 3.41Å |
| 732 | Q | 86.5 | Confident | 89.5 | Confident | 102 Ų | 102 | 44.5 Ų | 44.5 | 48% | 0.477 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 36.4 | -179.8 | -46.6 | -173.2 | -0.4 | 0 | 0 | 113.2 | W727 S730 L764 | W727-Q732 HydrophobicContact CD2-CB 4.22Å; W727-Q732 HydrophobicContact CD2-CG 4.19Å; W727-Q732 HydrophobicContact CG-CG 4.45Å; W727-Q732 HydrophobicContact CH2-CB 3.83Å; W727-Q732 HydrophobicContact CZ2-CB 3.43Å; W727-Q732 VanDerWaalsContact CZ2-CB 3.43Å; W727-Q732 HydrophobicContact CZ2-CG 3.92Å; W727-Q732 HydrophobicContact CZ3-CB 4.32Å; W727-Q732 PolarHBondContact O-N 3.03Å; S730-Q732 PolarHBondContact O-N 2.94Å; Q732-L764 WeakPolarHBondContact O-CD1 3.36Å |
| 733 | R | 83.6 | Confident | 89.5 | Confident | 102 Ų | 102 | 46.6 Ų | 46.6 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | trans | -100.8 | -21.6 | 178.8 | -65.8 | 175.7 | 171.7 | 178.8 | -7.8 | 113.5 | E521 N526 S730 R731 A735 | E521-R733 IonicContact OE2-CZ 3.72Å; E521-R733 IonicContact OE2-NH1 3.31Å; E521-R733 PolarHBondContact OE2-NH1 2.67Å; N526-R733 VanDerWaalsContact CB-NH1 3.34Å; S730-R733 WeakPolarHBondContact O-CB 3.34Å; S730-R733 WeakPolarHBondContact O-CG 3.43Å; S730-R733 PolarHBondContact O-N 3.45Å; S730-R733 VanDerWaalsContact O-N 3.12Å; R731-R733 VanDerWaalsContact C-N 3.28Å; R731-R733 PolarHBondContact O-N 3.41Å; R733-A735 PolarHBondContact O-N 3.03Å | ||
| 734 | D | 85.6 | Confident | 89.4 | Confident | 59 Ų | 59 | 46.6 Ų | 46.6 | 32% | 0.316 | 21% | 0.206 | S | C | . | . | trans | -93.3 | 94.2 | -174 | -170.7 | -24.3 | 0 | 0 | 0 | 112.5 | W727 D736 I737 G738 | W727-D734 WeakPolarHBondContact CZ3-O 3.4Å; D734-D736 PolarHBondContact O-N 2.71Å; D734-D736 VanDerWaalsContact O-N 3.15Å; D734-D736 WeakPolarHBondContact OD1-CB 3.39Å; D734-D736 PolarHBondContact OD1-N 3.42Å; D734-D736 VanDerWaalsContact OD1-N 3.08Å; D734-I737 HydrophobicContact CB-CB 4.26Å; D734-I737 HydrophobicContact CB-CD1 4.04Å; D734-I737 HydrophobicContact CB-CG1 4.21Å; D734-I737 PolarHBondContact O-N 2.89Å; D734-I737 PolarHBondContact OD1-N 3.48Å; D734-I737 WeakPolarHBondContact OD2-CD1 3.49Å; D734-I737 WeakPolarHBondContact OD2-CG1 3.33Å; D734-G738 PolarHBondContact O-N 2.88Å | ||
| 735 | A | 86.8 | Confident | 89.4 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -31.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R733 G738 Y739 V761 Y768 | R733-A735 PolarHBondContact O-N 3.03Å; A735-G738 PolarHBondContact O-N 3.34Å; A735-Y739 PolarHBondContact O-N 3.01Å; A735-V761 HydrophobicContact CB-CG1 4.26Å; A735-Y768 HydrophobicContact CB-CD2 3.81Å; A735-Y768 HydrophobicContact CB-CE2 3.75Å |
| 736 | D | 87.2 | Confident | 89.5 | Confident | 55 Ų | 55 | 39.7 Ų | 39.7 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.7 | -43.8 | 180 | -70.2 | -19.5 | 0 | 0 | 0 | 111 | K561 D734 Y739 K740 Y768 | K561-D736 IonicContact NZ-OD2 3.05Å; K561-D736 PolarHBondContact NZ-OD2 3.46Å; D734-D736 PolarHBondContact O-N 2.71Å; D734-D736 VanDerWaalsContact O-N 3.15Å; D734-D736 WeakPolarHBondContact OD1-CB 3.39Å; D734-D736 PolarHBondContact OD1-N 3.42Å; D734-D736 VanDerWaalsContact OD1-N 3.08Å; D736-Y739 PolarHBondContact O-N 3.37Å; D736-K740 WeakPolarHBondContact O-CG 3.37Å; D736-K740 PolarHBondContact O-N 3.01Å; D736-K740 VanDerWaalsContact O-N 3.08Å; D736-Y768 WeakPolarHBondContact OD1-CE2 3.28Å; D736-Y768 PolarHBondContact OD1-OH 2.93Å |
| 737 | I | 89.9 | Confident | 89.5 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 174.2 | -62.8 | 176.5 | 0 | 0 | 0 | 110.1 | I700 A726 W727 D734 Y739 K740 L741 | I700-I737 HydrophobicContact CG2-CD1 3.39Å; A726-I737 HydrophobicContact CB-CD1 4.2Å; A726-I737 HydrophobicContact CB-CG2 3.98Å; W727-I737 HydrophobicContact CB-CG2 4.25Å; W727-I737 HydrophobicContact CE3-CG2 4.43Å; D734-I737 HydrophobicContact CB-CB 4.26Å; D734-I737 HydrophobicContact CB-CD1 4.04Å; D734-I737 HydrophobicContact CB-CG1 4.21Å; D734-I737 PolarHBondContact O-N 2.89Å; D734-I737 PolarHBondContact OD1-N 3.48Å; D734-I737 WeakPolarHBondContact OD2-CD1 3.49Å; D734-I737 WeakPolarHBondContact OD2-CG1 3.33Å; I737-Y739 VanDerWaalsContact C-N 3.35Å; I737-Y739 PolarHBondContact O-N 3.03Å; I737-K740 PolarHBondContact O-N 2.95Å; I737-L741 VanDerWaalsContact O-CB 3.31Å; I737-L741 WeakPolarHBondContact O-CB 3.26Å; I737-L741 PolarHBondContact O-N 2.94Å |
| 738 | G | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D734 A735 L741 A742 V761 | D734-G738 PolarHBondContact O-N 2.88Å; A735-G738 PolarHBondContact O-N 3.34Å; G738-L741 PolarHBondContact O-N 3.33Å; G738-A742 WeakPolarHBondContact O-CB 3.37Å; G738-A742 PolarHBondContact O-N 3.5Å; G738-V761 VanDerWaalsContact C-CG2 3.44Å |
| 739 | Y | 91.8 | Very high | 89.6 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 174.2 | 169.7 | -99.5 | 0 | 0 | 0 | 111.9 | A735 D736 I737 L741 A742 Y743 Y768 V771 E774 I775 | A735-Y739 PolarHBondContact O-N 3.01Å; D736-Y739 PolarHBondContact O-N 3.37Å; I737-Y739 VanDerWaalsContact C-N 3.35Å; I737-Y739 PolarHBondContact O-N 3.03Å; Y739-L741 VanDerWaalsContact C-N 3.32Å; Y739-L741 PolarHBondContact O-N 3.14Å; Y739-A742 PolarHBondContact O-N 3.5Å; Y739-Y743 WeakPolarHBondContact O-CB 3.46Å; Y739-Y743 PolarHBondContact O-N 3.04Å; Y739-Y768 HydrophobicContact CD2-CE1 4.01Å; Y739-Y768 AromaticContact CG-CE1 3.83Å; Y739-Y768 HydrophobicContact CG-CE1 3.83Å; Y739-V771 HydrophobicContact CD2-CG2 3.59Å; Y739-V771 HydrophobicContact CE2-CG2 4.35Å; Y739-V771 HydrophobicContact CG-CG2 4.48Å; Y739-E774 PolarHBondContact OH-OE2 3.17Å; Y739-I775 HydrophobicContact CD2-CD1 3.53Å; Y739-I775 HydrophobicContact CE2-CD1 3.53Å; Y739-I775 HydrophobicContact CE2-CG1 4.36Å; Y739-I775 HydrophobicContact CG-CD1 4.45Å |
| 740 | K | 92 | Very high | 89.9 | Confident | 48 Ų | 48 | 49 Ų | 49 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 177.4 | -71.4 | 167.2 | 178.9 | 174.1 | 0 | 111.5 | D704 Y723 D736 I737 Y743 C744 | D704-K740 WeakPolarHBondContact OD1-CD 3.46Å; D704-K740 IonicContact OD1-NZ 2.77Å; D704-K740 PolarHBondContact OD1-NZ 3.15Å; D704-K740 IonicContact OD2-NZ 3.51Å; D704-K740 PolarHBondContact OD2-NZ 2.75Å; Y723-K740 HydrophobicContact CD1-CB 4.34Å; Y723-K740 HydrophobicContact CD2-CB 4.24Å; Y723-K740 HydrophobicContact CE1-CB 4.01Å; Y723-K740 HydrophobicContact CE1-CD 3.81Å; Y723-K740 HydrophobicContact CE1-CG 4.49Å; Y723-K740 HydrophobicContact CE2-CB 3.87Å; Y723-K740 HydrophobicContact CG-CB 4.45Å; D736-K740 WeakPolarHBondContact O-CG 3.37Å; D736-K740 PolarHBondContact O-N 3.01Å; D736-K740 VanDerWaalsContact O-N 3.08Å; I737-K740 PolarHBondContact O-N 2.95Å; K740-Y743 PolarHBondContact O-N 3.31Å; K740-C744 WeakPolarHBondContact O-CB 3.47Å; K740-C744 PolarHBondContact O-N 3.44Å; K740-C744 PolarHBondContact O-SG 3.46Å; K740-C744 VanDerWaalsContact O-SG 3.36Å |
| 741 | L | 93.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 176.7 | -179.4 | 58.7 | 0 | 0 | 0 | 111.7 | E724 W727 I737 G738 Y739 Y743 C744 Y745 T757 | E724-L741 HydrophobicContact CB-CD1 4.17Å; W727-L741 HydrophobicContact CB-CD2 3.81Å; W727-L741 HydrophobicContact CG-CD2 3.82Å; I737-L741 VanDerWaalsContact O-CB 3.31Å; I737-L741 WeakPolarHBondContact O-CB 3.26Å; I737-L741 PolarHBondContact O-N 2.94Å; G738-L741 PolarHBondContact O-N 3.33Å; Y739-L741 VanDerWaalsContact C-N 3.32Å; Y739-L741 PolarHBondContact O-N 3.14Å; L741-Y743 VanDerWaalsContact C-N 3.28Å; L741-Y743 PolarHBondContact O-N 2.92Å; L741-C744 PolarHBondContact O-N 3.16Å; L741-C744 VanDerWaalsContact O-N 3.14Å; L741-Y745 HydrophobicContact CD1-CD2 4.05Å; L741-Y745 HydrophobicContact CD1-CE1 4.28Å; L741-Y745 HydrophobicContact CD1-CE2 3.55Å; L741-Y745 HydrophobicContact CD2-CE2 3.86Å; L741-Y745 HydrophobicContact CG-CD2 3.86Å; L741-Y745 HydrophobicContact CG-CE2 3.45Å; L741-Y745 VanDerWaalsContact CG-CE2 3.45Å; L741-Y745 WeakPolarHBondContact O-CD2 3.36Å; L741-Y745 PolarHBondContact O-N 3.01Å; L741-T757 HydrophobicContact CD2-CG2 3.98Å; L741-T757 HydrophobicContact CG-CG2 4.34Å |
| 742 | A | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G738 Y739 Y745 L746 T757 I775 | G738-A742 WeakPolarHBondContact O-CB 3.37Å; G738-A742 PolarHBondContact O-N 3.5Å; Y739-A742 PolarHBondContact O-N 3.5Å; A742-Y745 PolarHBondContact O-N 3.23Å; A742-L746 PolarHBondContact O-N 3.2Å; A742-T757 WeakPolarHBondContact CA-OG1 3.35Å; A742-T757 VanDerWaalsContact CB-OG1 3.29Å; A742-T757 WeakPolarHBondContact CB-OG1 3.46Å; A742-I775 HydrophobicContact CB-CD1 4.01Å; A742-I775 HydrophobicContact CB-CG2 4.02Å |
| 743 | Y | 92.5 | Very high | 90.7 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 24% | 0.239 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 173.8 | -176.2 | -91.8 | 0 | 0 | 0 | 112 | W716 Y739 K740 L741 L746 K747 I775 | W716-Y743 HydrophobicContact CH2-CE1 4.14Å; W716-Y743 HydrophobicContact CZ3-CD1 4.37Å; W716-Y743 AromaticContact CZ3-CE1 3.98Å; W716-Y743 HydrophobicContact CZ3-CE1 3.98Å; Y739-Y743 WeakPolarHBondContact O-CB 3.46Å; Y739-Y743 PolarHBondContact O-N 3.04Å; K740-Y743 PolarHBondContact O-N 3.31Å; L741-Y743 VanDerWaalsContact C-N 3.28Å; L741-Y743 PolarHBondContact O-N 2.92Å; Y743-L746 WeakPolarHBondContact O-CB 3.36Å; Y743-L746 PolarHBondContact O-N 3.03Å; Y743-K747 HydrophobicContact CD1-CG 4.29Å; Y743-K747 HydrophobicContact CE1-CG 3.89Å; Y743-K747 WeakPolarHBondContact O-CG 3.37Å; Y743-K747 PolarHBondContact O-N 2.83Å; Y743-K747 VanDerWaalsContact O-N 3.1Å; Y743-K747 WeakPolarHBondContact OH-CE 3.34Å; Y743-I775 HydrophobicContact CD2-CG1 4.48Å |
| 744 | C | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.1 | -74.5 | 0 | 0 | 0 | 0 | 112.3 | A719 T720 Y723 K740 L741 K747 A748 | A719-C744 HydrophobicContact CB-CB 4.5Å; T720-C744 HydrophobicContact CG2-CB 3.72Å; Y723-C744 HydrophobicContact CD2-CB 4.39Å; Y723-C744 VanDerWaalsContact CE2-SG 3.58Å; K740-C744 WeakPolarHBondContact O-CB 3.47Å; K740-C744 PolarHBondContact O-N 3.44Å; K740-C744 PolarHBondContact O-SG 3.46Å; K740-C744 VanDerWaalsContact O-SG 3.36Å; L741-C744 PolarHBondContact O-N 3.16Å; L741-C744 VanDerWaalsContact O-N 3.14Å; C744-K747 PolarHBondContact O-N 3.29Å; C744-A748 VanDerWaalsContact O-CB 3.32Å; C744-A748 WeakPolarHBondContact O-CB 3.48Å; C744-A748 PolarHBondContact O-N 3.01Å |
| 745 | Y | 94 | Very high | 91.4 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.4 | -77.6 | -42.7 | 0 | 0 | 0 | 112.4 | T720 L741 A742 K747 A748 K749 M750 A753 T757 | T720-Y745 HydrophobicContact CG2-CD1 3.63Å; T720-Y745 HydrophobicContact CG2-CE1 3.94Å; T720-Y745 HydrophobicContact CG2-CG 4.38Å; L741-Y745 HydrophobicContact CD1-CD2 4.05Å; L741-Y745 HydrophobicContact CD1-CE1 4.28Å; L741-Y745 HydrophobicContact CD1-CE2 3.55Å; L741-Y745 HydrophobicContact CD2-CE2 3.86Å; L741-Y745 HydrophobicContact CG-CD2 3.86Å; L741-Y745 HydrophobicContact CG-CE2 3.45Å; L741-Y745 VanDerWaalsContact CG-CE2 3.45Å; L741-Y745 WeakPolarHBondContact O-CD2 3.36Å; L741-Y745 PolarHBondContact O-N 3.01Å; A742-Y745 PolarHBondContact O-N 3.23Å; Y745-K747 VanDerWaalsContact C-N 3.31Å; Y745-K747 PolarHBondContact O-N 3.29Å; Y745-A748 CarbonylContact O-C 3.57Å; Y745-A748 PolarHBondContact O-N 3.03Å; Y745-K749 PolarHBondContact O-N 2.94Å; Y745-K749 VanDerWaalsContact O-N 3.16Å; Y745-M750 HydrophobicContact CD1-CB 3.89Å; Y745-M750 HydrophobicContact CD1-CE 4.01Å; Y745-M750 HydrophobicContact CD1-CG 4.44Å; Y745-M750 HydrophobicContact CD1-SD 3.8Å; Y745-M750 HydrophobicContact CE1-CE 3.78Å; Y745-M750 HydrophobicContact CE1-SD 3.99Å; Y745-M750 HydrophobicContact CG-CB 4.41Å; Y745-M750 PolarHBondContact O-N 3.04Å; Y745-A753 HydrophobicContact CD1-CB 4.05Å; Y745-A753 HydrophobicContact CD2-CB 3.81Å; Y745-A753 HydrophobicContact CE1-CB 4.12Å; Y745-A753 HydrophobicContact CE2-CB 3.85Å; Y745-A753 HydrophobicContact CG-CB 3.92Å; Y745-T757 HydrophobicContact CD2-CG2 4.1Å; Y745-T757 HydrophobicContact CE2-CG2 3.77Å |
| 746 | L | 92.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.2 | -46.9 | 174.2 | -177 | 91.9 | 0 | 0 | 0 | 111 | A742 Y743 K749 I775 K778 A779 | A742-L746 PolarHBondContact O-N 3.2Å; Y743-L746 WeakPolarHBondContact O-CB 3.36Å; Y743-L746 PolarHBondContact O-N 3.03Å; L746-K749 PolarHBondContact O-N 3.24Å; L746-I775 HydrophobicContact CB-CG2 4.39Å; L746-K778 HydrophobicContact CD1-CB 3.88Å; L746-A779 HydrophobicContact CD1-CB 3.77Å |
| 747 | K | 92.4 | Very high | 91.8 | Very high | 97 Ų | 97 | 41.3 Ų | 41.3 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.5 | -31.7 | -179.9 | -67.1 | -65.9 | -174.9 | 178.4 | 0 | 113.3 | W716 Y743 C744 Y745 K749 | W716-K747 HydrophobicContact CD2-CB 3.47Å; W716-K747 VanDerWaalsContact CD2-CB 3.47Å; W716-K747 HydrophobicContact CD2-CG 4.18Å; W716-K747 HydrophobicContact CE3-CB 3.52Å; W716-K747 HydrophobicContact CE3-CG 3.94Å; W716-K747 HydrophobicContact CG-CB 3.94Å; W716-K747 HydrophobicContact CH2-CB 4.28Å; W716-K747 HydrophobicContact CH2-CD 4.42Å; W716-K747 HydrophobicContact CH2-CG 3.9Å; W716-K747 HydrophobicContact CZ2-CB 4.23Å; W716-K747 HydrophobicContact CZ2-CD 4.33Å; W716-K747 HydrophobicContact CZ2-CG 4.12Å; W716-K747 HydrophobicContact CZ3-CB 3.92Å; W716-K747 HydrophobicContact CZ3-CG 3.79Å; Y743-K747 HydrophobicContact CD1-CG 4.29Å; Y743-K747 HydrophobicContact CE1-CG 3.89Å; Y743-K747 WeakPolarHBondContact O-CG 3.37Å; Y743-K747 PolarHBondContact O-N 2.83Å; Y743-K747 VanDerWaalsContact O-N 3.1Å; Y743-K747 WeakPolarHBondContact OH-CE 3.34Å; C744-K747 PolarHBondContact O-N 3.29Å; Y745-K747 VanDerWaalsContact C-N 3.31Å; Y745-K747 PolarHBondContact O-N 3.29Å; K747-K749 PolarHBondContact O-N 3.15Å |
| 748 | A | 91.6 | Very high | 91.8 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 1.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | W716 T720 C744 Y745 M750 | W716-A748 HydrophobicContact CB-CB 4.22Å; T720-A748 HydrophobicContact CG2-CB 4.22Å; C744-A748 VanDerWaalsContact O-CB 3.32Å; C744-A748 WeakPolarHBondContact O-CB 3.48Å; C744-A748 PolarHBondContact O-N 3.01Å; Y745-A748 CarbonylContact O-C 3.57Å; Y745-A748 PolarHBondContact O-N 3.03Å; A748-M750 HydrophobicContact CB-CG 4.38Å; A748-M750 PolarHBondContact O-N 3.06Å |
| 749 | K | 91.1 | Very high | 91.8 | Very high | 155 Ų | 155 | 45 Ų | 45 | 67% | 0.674 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 23.5 | -175.5 | -50.9 | -175.7 | 179.1 | -177 | 0 | 114.5 | Y745 L746 K747 Y751 | Y745-K749 PolarHBondContact O-N 2.94Å; Y745-K749 VanDerWaalsContact O-N 3.16Å; L746-K749 PolarHBondContact O-N 3.24Å; K747-K749 PolarHBondContact O-N 3.15Å; K749-Y751 HydrophobicContact CB-CE1 4.41Å; K749-Y751 HydrophobicContact CB-CE2 4.2Å; K749-Y751 PolarHBondContact O-N 3.25Å |
| 750 | M | 91 | Very high | 91.7 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | trans | -93 | 69.5 | 174.7 | -65.3 | 178.6 | 65.8 | 0 | 0 | 109.7 | Y745 A748 V752 A753 A754 | Y745-M750 HydrophobicContact CD1-CB 3.89Å; Y745-M750 HydrophobicContact CD1-CE 4.01Å; Y745-M750 HydrophobicContact CD1-CG 4.44Å; Y745-M750 HydrophobicContact CD1-SD 3.8Å; Y745-M750 HydrophobicContact CE1-CE 3.78Å; Y745-M750 HydrophobicContact CE1-SD 3.99Å; Y745-M750 HydrophobicContact CG-CB 4.41Å; Y745-M750 PolarHBondContact O-N 3.04Å; A748-M750 HydrophobicContact CB-CG 4.38Å; A748-M750 PolarHBondContact O-N 3.06Å; M750-V752 PolarHBondContact O-N 3.43Å; M750-A753 HydrophobicContact CB-CB 4.39Å; M750-A753 HydrophobicContact CE-CB 4.46Å; M750-A753 PolarHBondContact O-N 2.92Å; M750-A754 PolarHBondContact O-N 3.11Å | ||
| 751 | Y | 91.3 | Very high | 91.6 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -36.6 | -168.2 | -53.3 | -56.7 | 0 | 0 | 0 | 114 | K749 A754 I755 A779 N782 | K749-Y751 HydrophobicContact CB-CE1 4.41Å; K749-Y751 HydrophobicContact CB-CE2 4.2Å; K749-Y751 PolarHBondContact O-N 3.25Å; Y751-A754 WeakPolarHBondContact O-CB 3.3Å; Y751-A754 PolarHBondContact O-N 3.38Å; Y751-I755 VanDerWaalsContact O-CG1 3.3Å; Y751-I755 WeakPolarHBondContact O-CG1 3.47Å; Y751-I755 PolarHBondContact O-N 3.36Å; Y751-A779 HydrophobicContact CD1-CB 4.46Å; Y751-N782 HydrophobicContact CD1-CB 3.93Å; Y751-N782 HydrophobicContact CD2-CB 4.2Å; Y751-N782 HydrophobicContact CE1-CB 3.52Å; Y751-N782 HydrophobicContact CE2-CB 3.83Å; Y751-N782 HydrophobicContact CG-CB 4.25Å; Y751-N782 VanDerWaalsContact CZ-CB 3.47Å |
| 752 | V | 91.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 42.5 Ų | 42.5 | 53% | 0.527 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.3 | -52.6 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | M750 A754 I755 D756 L783 | M750-V752 PolarHBondContact O-N 3.43Å; V752-A754 VanDerWaalsContact C-N 3.26Å; V752-A754 PolarHBondContact O-N 2.97Å; V752-I755 WeakPolarHBondContact O-CB 3.49Å; V752-I755 PolarHBondContact O-N 2.99Å; V752-D756 PolarHBondContact O-N 3.45Å; V752-L783 HydrophobicContact CG2-CD1 3.56Å |
| 753 | A | 91.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 50 Ų | 50 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y745 M750 T757 | Y745-A753 HydrophobicContact CD1-CB 4.05Å; Y745-A753 HydrophobicContact CD2-CB 3.81Å; Y745-A753 HydrophobicContact CE1-CB 4.12Å; Y745-A753 HydrophobicContact CE2-CB 3.85Å; Y745-A753 HydrophobicContact CG-CB 3.92Å; M750-A753 HydrophobicContact CB-CB 4.39Å; M750-A753 HydrophobicContact CE-CB 4.46Å; M750-A753 PolarHBondContact O-N 2.92Å; A753-T757 WeakPolarHBondContact O-CB 3.39Å; A753-T757 WeakPolarHBondContact O-CG2 3.17Å; A753-T757 PolarHBondContact O-N 3.04Å; A753-T757 PolarHBondContact O-OG1 2.95Å |
| 754 | A | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M750 Y751 V752 T757 S758 I775 A779 | M750-A754 PolarHBondContact O-N 3.11Å; Y751-A754 WeakPolarHBondContact O-CB 3.3Å; Y751-A754 PolarHBondContact O-N 3.38Å; V752-A754 VanDerWaalsContact C-N 3.26Å; V752-A754 PolarHBondContact O-N 2.97Å; A754-T757 WeakPolarHBondContact CA-OG1 3.23Å; A754-T757 PolarHBondContact O-OG1 3.18Å; A754-T757 VanDerWaalsContact O-OG1 3.11Å; A754-S758 VanDerWaalsContact O-CB 3.27Å; A754-S758 WeakPolarHBondContact O-CB 3.49Å; A754-S758 PolarHBondContact O-N 3.39Å; A754-S758 PolarHBondContact O-OG 3.34Å; A754-I775 HydrophobicContact CB-CG2 4.39Å; A754-A779 HydrophobicContact CB-CB 4.22Å |
| 755 | I | 90.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -47.2 | 177.9 | -69.7 | 164.1 | 0 | 0 | 0 | 110.2 | Y751 V752 T757 S758 H759 A779 R780 L783 | Y751-I755 VanDerWaalsContact O-CG1 3.3Å; Y751-I755 WeakPolarHBondContact O-CG1 3.47Å; Y751-I755 PolarHBondContact O-N 3.36Å; V752-I755 WeakPolarHBondContact O-CB 3.49Å; V752-I755 PolarHBondContact O-N 2.99Å; I755-T757 PolarHBondContact O-N 3.09Å; I755-S758 WeakPolarHBondContact O-CB 3.1Å; I755-S758 PolarHBondContact O-N 2.97Å; I755-H759 PolarHBondContact O-CD2 2.89Å; I755-H759 VanDerWaalsContact O-CD2 3.24Å; I755-H759 PolarHBondContact O-N 3.37Å; I755-A779 HydrophobicContact CD1-CB 4.2Å; I755-A779 HydrophobicContact CG1-CB 3.74Å; I755-R780 HydrophobicContact CD1-CG 3.83Å; I755-R780 HydrophobicContact CG1-CG 4.28Å; I755-L783 HydrophobicContact CD1-CD1 4.48Å |
| 756 | D | 91.9 | Very high | 90 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | -178 | -64.4 | -22.9 | 0 | 0 | 0 | 111.6 | V752 H759 A760 | V752-D756 PolarHBondContact O-N 3.45Å; D756-H759 PolarHBondContact O-N 2.88Å; D756-A760 PolarHBondContact O-N 3.3Å |
| 757 | T | 91.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 9% | 0.086 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.4 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | L741 A742 Y745 A753 A754 I755 H759 A760 V761 | L741-T757 HydrophobicContact CD2-CG2 3.98Å; L741-T757 HydrophobicContact CG-CG2 4.34Å; A742-T757 WeakPolarHBondContact CA-OG1 3.35Å; A742-T757 VanDerWaalsContact CB-OG1 3.29Å; A742-T757 WeakPolarHBondContact CB-OG1 3.46Å; Y745-T757 HydrophobicContact CD2-CG2 4.1Å; Y745-T757 HydrophobicContact CE2-CG2 3.77Å; A753-T757 WeakPolarHBondContact O-CB 3.39Å; A753-T757 WeakPolarHBondContact O-CG2 3.17Å; A753-T757 PolarHBondContact O-N 3.04Å; A753-T757 PolarHBondContact O-OG1 2.95Å; A754-T757 WeakPolarHBondContact CA-OG1 3.23Å; A754-T757 PolarHBondContact O-OG1 3.18Å; A754-T757 VanDerWaalsContact O-OG1 3.11Å; I755-T757 PolarHBondContact O-N 3.09Å; T757-H759 VanDerWaalsContact C-N 3.32Å; T757-H759 PolarHBondContact O-N 3.4Å; T757-A760 PolarHBondContact O-N 3.31Å; T757-V761 WeakPolarHBondContact O-CG2 3.31Å; T757-V761 PolarHBondContact O-N 2.89Å |
| 758 | S | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 174.8 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | A754 I755 V761 L762 I775 | A754-S758 VanDerWaalsContact O-CB 3.27Å; A754-S758 WeakPolarHBondContact O-CB 3.49Å; A754-S758 PolarHBondContact O-N 3.39Å; A754-S758 PolarHBondContact O-OG 3.34Å; I755-S758 WeakPolarHBondContact O-CB 3.1Å; I755-S758 PolarHBondContact O-N 2.97Å; S758-V761 PolarHBondContact O-N 3.01Å; S758-L762 WeakPolarHBondContact O-CB 3.43Å; S758-L762 VanDerWaalsContact O-CG 3.27Å; S758-L762 WeakPolarHBondContact O-CG 3.35Å; S758-L762 PolarHBondContact O-N 3.41Å; S758-I775 WeakPolarHBondContact OG-CG2 3.35Å |
| 759 | H | 90.5 | Very high | 88.4 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.1 | -81 | -61.2 | 0 | 0 | 0 | 111.6 | I755 D756 T757 V761 L762 M763 R780 | I755-H759 PolarHBondContact O-CD2 2.89Å; I755-H759 VanDerWaalsContact O-CD2 3.24Å; I755-H759 PolarHBondContact O-N 3.37Å; D756-H759 PolarHBondContact O-N 2.88Å; T757-H759 VanDerWaalsContact C-N 3.32Å; T757-H759 PolarHBondContact O-N 3.4Å; H759-V761 PolarHBondContact O-N 3.07Å; H759-L762 PolarHBondContact O-N 3.36Å; H759-M763 VanDerWaalsContact O-CG 3.3Å; H759-M763 WeakPolarHBondContact O-CG 3.32Å; H759-M763 PolarHBondContact O-N 2.91Å; H759-R780 PolarHBondContact NE2-NH2 3.02Å; H759-R780 VanDerWaalsContact NE2-NH2 3.19Å |
| 760 | A | 90.3 | Very high | 87.9 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W727 D756 T757 M763 L764 | W727-A760 HydrophobicContact CZ2-CB 4.02Å; D756-A760 PolarHBondContact O-N 3.3Å; T757-A760 PolarHBondContact O-N 3.31Å; A760-M763 WeakPolarHBondContact O-CB 3.5Å; A760-M763 PolarHBondContact O-N 3.18Å; A760-L764 PolarHBondContact O-N 3.45Å |
| 761 | V | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | W727 A735 G738 T757 S758 H759 M763 L764 C765 Y768 V771 | W727-V761 HydrophobicContact CH2-CG2 4.42Å; A735-V761 HydrophobicContact CB-CG1 4.26Å; G738-V761 VanDerWaalsContact C-CG2 3.44Å; T757-V761 WeakPolarHBondContact O-CG2 3.31Å; T757-V761 PolarHBondContact O-N 2.89Å; S758-V761 PolarHBondContact O-N 3.01Å; H759-V761 PolarHBondContact O-N 3.07Å; V761-M763 PolarHBondContact O-N 3.09Å; V761-L764 PolarHBondContact O-N 3.42Å; V761-L764 VanDerWaalsContact O-N 3.11Å; V761-C765 PolarHBondContact O-N 3.05Å; V761-Y768 HydrophobicContact CG1-CD1 4.39Å; V761-Y768 HydrophobicContact CG1-CD2 4.46Å; V761-Y768 HydrophobicContact CG1-CG 4.11Å; V761-V771 HydrophobicContact CG1-CG2 3.98Å |
| 762 | L | 88.7 | Confident | 87.1 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.3 | -24 | 178.2 | -70.1 | 171.1 | 0 | 0 | 0 | 113.1 | S758 H759 C765 P766 V771 R772 L776 | S758-L762 WeakPolarHBondContact O-CB 3.43Å; S758-L762 VanDerWaalsContact O-CG 3.27Å; S758-L762 WeakPolarHBondContact O-CG 3.35Å; S758-L762 PolarHBondContact O-N 3.41Å; H759-L762 PolarHBondContact O-N 3.36Å; L762-C765 CarbonylContact O-C 3.6Å; L762-P766 VanDerWaalsContact O-CA 3.26Å; L762-P766 WeakPolarHBondContact O-CA 3.46Å; L762-V771 HydrophobicContact CD1-CG1 4.33Å; L762-V771 HydrophobicContact CD2-CB 4.42Å; L762-V771 HydrophobicContact CD2-CG1 4.37Å; L762-V771 HydrophobicContact CG-CG1 4.11Å; L762-R772 HydrophobicContact CD1-CG 3.88Å; L762-R772 HydrophobicContact CD2-CG 4.12Å; L762-L776 HydrophobicContact CD1-CD1 4.03Å |
| 763 | M | 88.9 | Confident | 86.6 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 78% | 0.783 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72 | -31 | 171.8 | -73.1 | -62.7 | -59.3 | 0 | 0 | 112.5 | H759 A760 V761 | H759-M763 VanDerWaalsContact O-CG 3.3Å; H759-M763 WeakPolarHBondContact O-CG 3.32Å; H759-M763 PolarHBondContact O-N 2.91Å; A760-M763 WeakPolarHBondContact O-CB 3.5Å; A760-M763 PolarHBondContact O-N 3.18Å; V761-M763 PolarHBondContact O-N 3.09Å |
| 764 | L | 84.7 | Confident | 86.2 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -79.9 | -47.6 | 176.3 | -61.7 | 166.2 | 0 | 0 | 0 | 111.7 | W727 Q732 A760 V761 | W727-L764 HydrophobicContact CH2-CD1 3.8Å; W727-L764 HydrophobicContact CZ3-CD1 4.44Å; Q732-L764 WeakPolarHBondContact O-CD1 3.36Å; A760-L764 PolarHBondContact O-N 3.45Å; V761-L764 PolarHBondContact O-N 3.42Å; V761-L764 VanDerWaalsContact O-N 3.11Å |
| 765 | C | 84.5 | Confident | 86 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | trans | -132.2 | 93.6 | -178.7 | -65.2 | 0 | 0 | 0 | 0 | 109 | V761 L762 D767 Y768 | V761-C765 PolarHBondContact O-N 3.05Å; L762-C765 CarbonylContact O-C 3.6Å; C765-D767 PolarHBondContact O-N 3.4Å; C765-D767 VanDerWaalsContact O-N 3.12Å; C765-Y768 HydrophobicContact CB-CD2 4.12Å; C765-Y768 WeakPolarHBondContact O-CB 3.22Å; C765-Y768 PolarHBondContact O-N 2.98Å | ||
| 766 | P | 83.9 | Confident | 85.8 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.2 | -177.1 | -28.5 | 36.1 | 0 | 0 | 0 | 114.6 | L762 R772 | L762-P766 VanDerWaalsContact O-CA 3.26Å; L762-P766 WeakPolarHBondContact O-CA 3.46Å; P766-R772 PolarHBondContact O-NH2 2.95Å |
| 767 | D | 82.5 | Confident | 85.5 | Confident | 154 Ų | 154 | 64.9 Ų | 64.9 | 82% | 0.824 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 16.7 | -177.4 | -61.9 | -32.7 | 0 | 0 | 0 | 113.2 | C765 P769 | C765-D767 PolarHBondContact O-N 3.4Å; C765-D767 VanDerWaalsContact O-N 3.12Å; D767-P769 VanDerWaalsContact O-N 3.17Å |
| 768 | Y | 81.6 | Confident | 85.4 | Confident | 46 Ų | 46 | 69 Ų | 69 | 18% | 0.18 | 35% | 0.345 | C | S | . | . | trans | -59 | 123.4 | -179.5 | -162.3 | -81.2 | 0 | 0 | 0 | 110.4 | A735 D736 Y739 V761 C765 V771 | A735-Y768 HydrophobicContact CB-CD2 3.81Å; A735-Y768 HydrophobicContact CB-CE2 3.75Å; D736-Y768 WeakPolarHBondContact OD1-CE2 3.28Å; D736-Y768 PolarHBondContact OD1-OH 2.93Å; Y739-Y768 HydrophobicContact CD2-CE1 4.01Å; Y739-Y768 AromaticContact CG-CE1 3.83Å; Y739-Y768 HydrophobicContact CG-CE1 3.83Å; V761-Y768 HydrophobicContact CG1-CD1 4.39Å; V761-Y768 HydrophobicContact CG1-CD2 4.46Å; V761-Y768 HydrophobicContact CG1-CG 4.11Å; C765-Y768 HydrophobicContact CB-CD2 4.12Å; C765-Y768 WeakPolarHBondContact O-CB 3.22Å; C765-Y768 PolarHBondContact O-N 2.98Å; Y768-V771 HydrophobicContact CD1-CG2 3.38Å; Y768-V771 HydrophobicContact CE1-CG2 4.05Å; Y768-V771 HydrophobicContact CG-CG2 4.18Å | ||
| 769 | P | 79.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 69 Ų | 69 | 56% | 0.558 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 145.1 | -170.2 | 24.7 | -33.6 | 0 | 0 | 0 | 111 | D767 V771 | D767-P769 VanDerWaalsContact O-N 3.17Å; P769-V771 PolarHBondContact O-N 3.45Å |
| 770 | K | 80.8 | Confident | 85.3 | Confident | 125 Ų | 125 | 70.5 Ų | 70.5 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -14.5 | 167.9 | -58.9 | 170.4 | 173.8 | -169.5 | 0 | 117.8 | R772 E774 | K770-R772 VanDerWaalsContact C-N 3.35Å; K770-R772 PolarHBondContact O-N 3.41Å; K770-E774 HydrophobicContact CB-CB 4.46Å; K770-E774 HydrophobicContact CB-CG 3.92Å; K770-E774 WeakPolarHBondContact CD-OE1 3.49Å; K770-E774 HydrophobicContact CG-CG 4.48Å; K770-E774 VanDerWaalsContact O-CB 3.23Å; K770-E774 WeakPolarHBondContact O-CB 3.42Å; K770-E774 PolarHBondContact O-N 3.45Å |
| 771 | V | 83.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | I | π-helix | trans | -56.3 | -46.4 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | Y739 V761 L762 Y768 P769 I775 L776 | Y739-V771 HydrophobicContact CD2-CG2 3.59Å; Y739-V771 HydrophobicContact CE2-CG2 4.35Å; Y739-V771 HydrophobicContact CG-CG2 4.48Å; V761-V771 HydrophobicContact CG1-CG2 3.98Å; L762-V771 HydrophobicContact CD1-CG1 4.33Å; L762-V771 HydrophobicContact CD2-CB 4.42Å; L762-V771 HydrophobicContact CD2-CG1 4.37Å; L762-V771 HydrophobicContact CG-CG1 4.11Å; Y768-V771 HydrophobicContact CD1-CG2 3.38Å; Y768-V771 HydrophobicContact CE1-CG2 4.05Å; Y768-V771 HydrophobicContact CG-CG2 4.18Å; P769-V771 PolarHBondContact O-N 3.45Å; V771-I775 WeakPolarHBondContact O-CB 3.25Å; V771-I775 PolarHBondContact O-N 3.42Å; V771-L776 PolarHBondContact O-N 3.48Å; V771-L776 VanDerWaalsContact O-N 3.07Å |
| 772 | R | 82.5 | Confident | 85.1 | Confident | 140 Ų | 140 | 77.3 Ų | 77.3 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | I | π-helix | trans | -63.3 | -53.9 | -177.3 | -68 | -174.2 | -171.9 | 171.3 | 8.6 | 112.2 | L762 P766 K770 L776 E777 | L762-R772 HydrophobicContact CD1-CG 3.88Å; L762-R772 HydrophobicContact CD2-CG 4.12Å; P766-R772 PolarHBondContact O-NH2 2.95Å; K770-R772 VanDerWaalsContact C-N 3.35Å; K770-R772 PolarHBondContact O-N 3.41Å; R772-L776 PolarHBondContact O-N 2.99Å; R772-E777 WeakPolarHBondContact O-CG 3.48Å; R772-E777 PolarHBondContact O-N 2.91Å |
| 773 | Q | 81.3 | Confident | 84.9 | Confident | 137 Ų | 137 | 80.5 Ų | 80.5 | 64% | 0.64 | 40% | 0.396 | S | S | * | . | I | π-helix | trans | -76.6 | -42.5 | -174.6 | -68.1 | 176.2 | -8.3 | 0 | 0 | 112.8 | ||
| 774 | E | 83.2 | Confident | 84.3 | Confident | 57 Ų | 57 | 83.3 Ų | 83.3 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | I | π-helix | trans | -84 | -26.2 | -171.9 | -66.4 | -173.7 | 169.2 | 0 | 0 | 113.6 | Y739 K770 K778 | Y739-E774 PolarHBondContact OH-OE2 3.17Å; K770-E774 HydrophobicContact CB-CB 4.46Å; K770-E774 HydrophobicContact CB-CG 3.92Å; K770-E774 WeakPolarHBondContact CD-OE1 3.49Å; K770-E774 HydrophobicContact CG-CG 4.48Å; K770-E774 VanDerWaalsContact O-CB 3.23Å; K770-E774 WeakPolarHBondContact O-CB 3.42Å; K770-E774 PolarHBondContact O-N 3.45Å; E774-K778 VanDerWaalsContact O-CD 3.25Å; E774-K778 WeakPolarHBondContact O-CD 3.38Å |
| 775 | I | 86 | Confident | 83.3 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 43% | 0.428 | C | S | . | . | I | π-helix | trans | -120.5 | -62.5 | -172.6 | -53.7 | 173.7 | 0 | 0 | 0 | 110.7 | Y739 A742 Y743 L746 A754 S758 V771 E777 K778 A779 | Y739-I775 HydrophobicContact CD2-CD1 3.53Å; Y739-I775 HydrophobicContact CE2-CD1 3.53Å; Y739-I775 HydrophobicContact CE2-CG1 4.36Å; Y739-I775 HydrophobicContact CG-CD1 4.45Å; A742-I775 HydrophobicContact CB-CD1 4.01Å; A742-I775 HydrophobicContact CB-CG2 4.02Å; Y743-I775 HydrophobicContact CD2-CG1 4.48Å; L746-I775 HydrophobicContact CB-CG2 4.39Å; A754-I775 HydrophobicContact CB-CG2 4.39Å; S758-I775 WeakPolarHBondContact OG-CG2 3.35Å; V771-I775 WeakPolarHBondContact O-CB 3.25Å; V771-I775 PolarHBondContact O-N 3.42Å; I775-E777 PolarHBondContact O-N 3.35Å; I775-K778 PolarHBondContact O-N 2.97Å; I775-A779 VanDerWaalsContact O-CB 3.3Å; I775-A779 WeakPolarHBondContact O-CB 3.23Å; I775-A779 PolarHBondContact O-N 3.32Å |
| 776 | L | 86.2 | Confident | 83.3 | Confident | 12 Ų | 12 | 89.5 Ų | 89.5 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | I | π-helix | trans | -64.7 | -47 | -168 | -175.7 | 157.9 | 0 | 0 | 0 | 112.5 | L762 V771 R772 A779 R780 | L762-L776 HydrophobicContact CD1-CD1 4.03Å; V771-L776 PolarHBondContact O-N 3.48Å; V771-L776 VanDerWaalsContact O-N 3.07Å; R772-L776 PolarHBondContact O-N 2.99Å; L776-A779 PolarHBondContact O-N 3.31Å; L776-R780 HydrophobicContact CD2-CG 4.49Å; L776-R780 VanDerWaalsContact CD2-NE 3.34Å; L776-R780 WeakPolarHBondContact O-CB 3.45Å; L776-R780 VanDerWaalsContact O-CG 3.31Å; L776-R780 WeakPolarHBondContact O-CG 3.26Å; L776-R780 PolarHBondContact O-N 2.94Å |
| 777 | E | 86.7 | Confident | 83.2 | Confident | 103 Ų | 103 | 90.2 Ų | 90.2 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.6 | -75.7 | 174 | -175 | 0 | 0 | 111.9 | R772 I775 A779 R780 I781 | R772-E777 WeakPolarHBondContact O-CG 3.48Å; R772-E777 PolarHBondContact O-N 2.91Å; I775-E777 PolarHBondContact O-N 3.35Å; E777-A779 PolarHBondContact O-N 3.23Å; E777-R780 PolarHBondContact O-N 3.24Å; E777-I781 VanDerWaalsContact O-CG1 3.27Å; E777-I781 WeakPolarHBondContact O-CG1 3.46Å; E777-I781 PolarHBondContact O-N 3.41Å |
| 778 | K | 89.3 | Confident | 83.3 | Confident | 102 Ų | 102 | 86.6 Ų | 86.6 | 44% | 0.443 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 179.4 | -62.7 | -169.5 | -166.1 | 161.8 | 0 | 112.4 | L746 E774 I775 N782 | L746-K778 HydrophobicContact CD1-CB 3.88Å; E774-K778 VanDerWaalsContact O-CD 3.25Å; E774-K778 WeakPolarHBondContact O-CD 3.38Å; I775-K778 PolarHBondContact O-N 2.97Å; K778-N782 WeakPolarHBondContact O-CB 3.47Å; K778-N782 PolarHBondContact O-N 2.95Å; K778-N782 PolarHBondContact O-ND2 3.1Å |
| 779 | A | 88.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 89 Ų | 89 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L746 Y751 A754 I755 I775 L776 E777 N782 L783 | L746-A779 HydrophobicContact CD1-CB 3.77Å; Y751-A779 HydrophobicContact CD1-CB 4.46Å; A754-A779 HydrophobicContact CB-CB 4.22Å; I755-A779 HydrophobicContact CD1-CB 4.2Å; I755-A779 HydrophobicContact CG1-CB 3.74Å; I775-A779 VanDerWaalsContact O-CB 3.3Å; I775-A779 WeakPolarHBondContact O-CB 3.23Å; I775-A779 PolarHBondContact O-N 3.32Å; L776-A779 PolarHBondContact O-N 3.31Å; E777-A779 PolarHBondContact O-N 3.23Å; A779-N782 PolarHBondContact O-N 3.02Å; A779-L783 WeakPolarHBondContact O-CB 3.38Å; A779-L783 PolarHBondContact O-N 3.22Å |
| 780 | R | 89.4 | Confident | 83.6 | Confident | 110 Ų | 110 | 89.2 Ų | 89.2 | 42% | 0.415 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.3 | -74.4 | 179.1 | -179.4 | -176.9 | -1 | 112.8 | I755 H759 L776 E777 L783 R784 | I755-R780 HydrophobicContact CD1-CG 3.83Å; I755-R780 HydrophobicContact CG1-CG 4.28Å; H759-R780 PolarHBondContact NE2-NH2 3.02Å; H759-R780 VanDerWaalsContact NE2-NH2 3.19Å; L776-R780 HydrophobicContact CD2-CG 4.49Å; L776-R780 VanDerWaalsContact CD2-NE 3.34Å; L776-R780 WeakPolarHBondContact O-CB 3.45Å; L776-R780 VanDerWaalsContact O-CG 3.31Å; L776-R780 WeakPolarHBondContact O-CG 3.26Å; L776-R780 PolarHBondContact O-N 2.94Å; E777-R780 PolarHBondContact O-N 3.24Å; R780-L783 PolarHBondContact O-N 3.21Å; R780-R784 WeakPolarHBondContact O-CG 3.17Å; R780-R784 PolarHBondContact O-N 3.32Å |
| 781 | I | 88.6 | Confident | 83.8 | Confident | 103 Ų | 103 | 86.8 Ų | 86.8 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -49.9 | 175.9 | -68.6 | 163.2 | 0 | 0 | 0 | 109.8 | E777 L783 R784 V785 | E777-I781 VanDerWaalsContact O-CG1 3.27Å; E777-I781 WeakPolarHBondContact O-CG1 3.46Å; E777-I781 PolarHBondContact O-N 3.41Å; I781-L783 PolarHBondContact O-N 3.2Å; I781-R784 PolarHBondContact O-N 3.27Å; I781-R784 VanDerWaalsContact O-N 3.11Å; I781-V785 PolarHBondContact O-N 2.69Å |
| 782 | N | 87.1 | Confident | 83.9 | Confident | 65 Ų | 65 | 92.9 Ų | 92.9 | 35% | 0.348 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.4 | -15.3 | -178.7 | -69.6 | -42.7 | 0 | 0 | 0 | 114.6 | Y751 K778 A779 | Y751-N782 HydrophobicContact CD1-CB 3.93Å; Y751-N782 HydrophobicContact CD2-CB 4.2Å; Y751-N782 HydrophobicContact CE1-CB 3.52Å; Y751-N782 HydrophobicContact CE2-CB 3.83Å; Y751-N782 HydrophobicContact CG-CB 4.25Å; Y751-N782 VanDerWaalsContact CZ-CB 3.47Å; K778-N782 WeakPolarHBondContact O-CB 3.47Å; K778-N782 PolarHBondContact O-N 2.95Å; K778-N782 PolarHBondContact O-ND2 3.1Å; A779-N782 PolarHBondContact O-N 3.02Å |
| 783 | L | 84.9 | Confident | 84 | Confident | 88 Ų | 88 | 89.3 Ų | 89.3 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -85.3 | -18 | 173.3 | -169.6 | 136.5 | 0 | 0 | 0 | 112.3 | V752 I755 A779 R780 I781 | V752-L783 HydrophobicContact CG2-CD1 3.56Å; I755-L783 HydrophobicContact CD1-CD1 4.48Å; A779-L783 WeakPolarHBondContact O-CB 3.38Å; A779-L783 PolarHBondContact O-N 3.22Å; R780-L783 PolarHBondContact O-N 3.21Å; I781-L783 PolarHBondContact O-N 3.2Å |
| 784 | R | 77 | Confident | 84.2 | Confident | 218 Ų | 218 | 85.3 Ų | 85.3 | 82% | 0.823 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -89.3 | -17.3 | 175.6 | -71.2 | 176.9 | 179.2 | -176.6 | -0.6 | 113.3 | R780 I781 | R780-R784 WeakPolarHBondContact O-CG 3.17Å; R780-R784 PolarHBondContact O-N 3.32Å; I781-R784 PolarHBondContact O-N 3.27Å; I781-R784 VanDerWaalsContact O-N 3.11Å |
| 785 | V | 63.3 | Low | 84.3 | Confident | 166 Ų | 166 | 87.9 Ų | 87.9 | 100% | 1.006 | 42% | 0.415 | S | S | * | . | trans | -91.4 | 0 | 172.6 | -178 | 0 | 0 | 0 | 0 | 108 | I781 | I781-V785 PolarHBondContact O-N 2.69Š|
Retrieved 785 of 785 residues in 648.5 ms
(Link to these results)