| 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 | 56 | Low | 64.7 | Low | 197 Ų | 197 | 108.4 Ų | 108.4 | 97% | 0.97 | 58% | 0.578 | S | S | * | * | 0 | -52.9 | 0 | -75.5 | -176.9 | 70.6 | 0 | 0 | 113 | V3 L4 A5 | M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.33Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 3.25Å | |||
| 2 | I | 64.9 | Low | 65 | Low | 149 Ų | 149 | 112.3 Ų | 112.3 | 76% | 0.764 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.1 | -43.1 | -179.3 | -61.2 | 171.6 | 0 | 0 | 0 | 112.3 | L4 A5 A6 | I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.25Å; I2-A5 PolarHBondContact O-N 3.19Å; I2-A6 WeakPolarHBondContact O-CB 3.43Å; I2-A6 PolarHBondContact O-N 3.27Å |
| 3 | V | 69.1 | Low | 64.8 | Low | 119 Ų | 119 | 107.2 Ų | 107.2 | 72% | 0.721 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.2 | -38.1 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 112 | M1 A6 A7 | M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.33Å; V3-A6 PolarHBondContact O-N 3.03Å; V3-A7 VanDerWaalsContact O-CB 3.28Å; V3-A7 WeakPolarHBondContact O-CB 3.41Å; V3-A7 PolarHBondContact O-N 3.23Å |
| 4 | L | 59 | Low | 64.5 | Low | 87 Ų | 87 | 104.5 Ų | 104.5 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.7 | -40.1 | 176.4 | -64.9 | 173.8 | 0 | 0 | 0 | 111.5 | M1 I2 A6 A7 L8 | M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-L4 VanDerWaalsContact O-N 3.09Å; I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.25Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A7 PolarHBondContact O-N 3.09Å; L4-L8 VanDerWaalsContact O-CB 3.23Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.29Å |
| 5 | A | 66.4 | Low | 64.1 | Low | 57 Ų | 57 | 103.6 Ų | 103.6 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1 I2 Y9 | M1-A5 PolarHBondContact O-N 3.25Å; I2-A5 PolarHBondContact O-N 3.19Å; A5-Y9 WeakPolarHBondContact O-CA 3.36Å; A5-Y9 WeakPolarHBondContact O-CB 3.12Å; A5-Y9 PolarHBondContact O-N 3.41Å |
| 6 | A | 63.4 | Low | 63.3 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 44% | 0.438 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2 V3 L4 Y9 F10 | I2-A6 WeakPolarHBondContact O-CB 3.43Å; I2-A6 PolarHBondContact O-N 3.27Å; V3-A6 PolarHBondContact O-N 3.03Å; L4-A6 VanDerWaalsContact C-N 3.33Å; A6-Y9 PolarHBondContact O-N 3.44Å; A6-F10 WeakPolarHBondContact O-CB 3.3Å; A6-F10 PolarHBondContact O-N 3.49Å |
| 7 | A | 66.8 | Low | 62.4 | Low | 56 Ų | 56 | 102.4 Ų | 102.4 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V3 L4 F10 Y11 | V3-A7 VanDerWaalsContact O-CB 3.28Å; V3-A7 WeakPolarHBondContact O-CB 3.41Å; V3-A7 PolarHBondContact O-N 3.23Å; L4-A7 PolarHBondContact O-N 3.09Å; A7-F10 PolarHBondContact O-N 3.43Å; A7-Y11 WeakPolarHBondContact O-CB 3.24Å; A7-Y11 PolarHBondContact O-N 3.33Å |
| 8 | L | 66.2 | Low | 61.5 | Low | 115 Ų | 115 | 105.9 Ų | 105.9 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -38.9 | 175.1 | -72.9 | 170.4 | 0 | 0 | 0 | 112 | L4 Y11 F12 | L4-L8 VanDerWaalsContact O-CB 3.23Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.29Å; L8-Y11 CarbonylContact O-C 3.46Å; L8-Y11 PolarHBondContact O-N 3.1Å; L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 PolarHBondContact O-N 3.33Å |
| 9 | Y | 71 | Confident | 60.6 | Low | 172 Ų | 172 | 103.9 Ų | 103.9 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.2 | -40.9 | 176.4 | 177.7 | -97.5 | 0 | 0 | 0 | 110.9 | A5 A6 F12 S13 | A5-Y9 WeakPolarHBondContact O-CA 3.36Å; A5-Y9 WeakPolarHBondContact O-CB 3.12Å; A5-Y9 PolarHBondContact O-N 3.41Å; A6-Y9 PolarHBondContact O-N 3.44Å; Y9-F12 PolarHBondContact O-N 3.02Å; Y9-S13 WeakPolarHBondContact O-CA 3.21Å; Y9-S13 WeakPolarHBondContact O-CB 3.47Å; Y9-S13 PolarHBondContact O-N 3.11Å; Y9-S13 PolarHBondContact O-OG 3.23Å |
| 10 | F | 66.3 | Low | 59.9 | Low | 137 Ų | 137 | 104.4 Ų | 104.4 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.9 | -41.6 | 172.8 | -167.6 | -96.7 | 0 | 0 | 0 | 110.7 | A6 A7 F12 S13 T14 | A6-F10 WeakPolarHBondContact O-CB 3.3Å; A6-F10 PolarHBondContact O-N 3.49Å; A7-F10 PolarHBondContact O-N 3.43Å; F10-F12 VanDerWaalsContact C-N 3.29Å; F10-F12 PolarHBondContact O-N 3.44Å; F10-S13 WeakPolarHBondContact CA-OG 3.47Å; F10-S13 PolarHBondContact O-N 3.44Å; F10-S13 PolarHBondContact O-OG 3.49Å; F10-T14 HydrophobicContact CD1-CG2 4.16Å; F10-T14 HydrophobicContact CE1-CG2 3.84Å; F10-T14 HydrophobicContact CE2-CG2 4.28Å; F10-T14 HydrophobicContact CZ-CG2 3.91Å; F10-T14 WeakPolarHBondContact O-CB 3.3Å; F10-T14 WeakPolarHBondContact O-CG2 3.28Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3.05Å |
| 11 | Y | 62.1 | Low | 59.5 | Low | 50 Ų | 50 | 104.5 Ų | 104.5 | 20% | 0.196 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -66.1 | -24.6 | 172.2 | -178.9 | -93.3 | 0 | 0 | 0 | 113.4 | A7 L8 F15 Y30 L33 A34 | A7-Y11 WeakPolarHBondContact O-CB 3.24Å; A7-Y11 PolarHBondContact O-N 3.33Å; L8-Y11 CarbonylContact O-C 3.46Å; L8-Y11 PolarHBondContact O-N 3.1Å; Y11-F15 HydrophobicContact CD2-CE2 4.04Å; Y11-F15 HydrophobicContact CE2-CE2 4.25Å; Y11-F15 HydrophobicContact CE2-CZ 4.49Å; Y11-F15 WeakPolarHBondContact O-CD2 3.42Å; Y11-F15 WeakPolarHBondContact O-CG 3.3Å; Y11-Y30 AromaticContact CE1-CE2 3.99Å; Y11-Y30 HydrophobicContact CE1-CE2 3.99Å; Y11-Y30 AromaticContact CZ-CE2 3.62Å; Y11-Y30 WeakPolarHBondContact OH-CD2 3.41Å; Y11-Y30 WeakPolarHBondContact OH-CE2 3.3Å; Y11-L33 HydrophobicContact CE2-CB 4.09Å; Y11-A34 WeakPolarHBondContact OH-CB 3.19Å |
| 12 | F | 68.9 | Low | 59.4 | Low | 155 Ų | 155 | 99 Ų | 99 | 68% | 0.68 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -93.2 | -35.2 | 175.5 | -160.5 | -91.6 | 0 | 0 | 0 | 111.2 | L8 Y9 F10 F15 G16 | L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 PolarHBondContact O-N 3.33Å; Y9-F12 PolarHBondContact O-N 3.02Å; F10-F12 VanDerWaalsContact C-N 3.29Å; F10-F12 PolarHBondContact O-N 3.44Å; F12-F15 PolarHBondContact O-N 3.13Å; F12-G16 WeakPolarHBondContact O-CA 3.31Å; F12-G16 PolarHBondContact O-N 3.42Å |
| 13 | S | 61.8 | Low | 59 | Low | 47 Ų | 47 | 98.6 Ų | 98.6 | 33% | 0.329 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -77.9 | -35.3 | -177.2 | 68 | 0 | 0 | 0 | 0 | 112.7 | Y9 F10 F15 | Y9-S13 WeakPolarHBondContact O-CA 3.21Å; Y9-S13 WeakPolarHBondContact O-CB 3.47Å; Y9-S13 PolarHBondContact O-N 3.11Å; Y9-S13 PolarHBondContact O-OG 3.23Å; F10-S13 WeakPolarHBondContact CA-OG 3.47Å; F10-S13 PolarHBondContact O-N 3.44Å; F10-S13 PolarHBondContact O-OG 3.49Å; S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 2.94Å |
| 14 | T | 61.6 | Low | 58.7 | Low | 69 Ų | 69 | 99.5 Ų | 99.5 | 42% | 0.423 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -27.9 | 170.2 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | F10 | F10-T14 HydrophobicContact CD1-CG2 4.16Å; F10-T14 HydrophobicContact CE1-CG2 3.84Å; F10-T14 HydrophobicContact CE2-CG2 4.28Å; F10-T14 HydrophobicContact CZ-CG2 3.91Å; F10-T14 WeakPolarHBondContact O-CB 3.3Å; F10-T14 WeakPolarHBondContact O-CG2 3.28Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3.05Å |
| 15 | F | 57.9 | Low | 58.9 | Low | 91 Ų | 91 | 99 Ų | 99 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -29.2 | -175.1 | -73.2 | -97.3 | 0 | 0 | 0 | 114.3 | Y11 F12 S13 V17 Y30 | Y11-F15 HydrophobicContact CD2-CE2 4.04Å; Y11-F15 HydrophobicContact CE2-CE2 4.25Å; Y11-F15 HydrophobicContact CE2-CZ 4.49Å; Y11-F15 WeakPolarHBondContact O-CD2 3.42Å; Y11-F15 WeakPolarHBondContact O-CG 3.3Å; F12-F15 PolarHBondContact O-N 3.13Å; S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 2.94Å; F15-V17 PolarHBondContact O-N 3.26Å; F15-V17 VanDerWaalsContact O-N 3.1Å; F15-Y30 AromaticContact CD1-CD2 3.97Å; F15-Y30 HydrophobicContact CD1-CD2 3.97Å; F15-Y30 AromaticContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CG 4.48Å; F15-Y30 HydrophobicContact CZ-CD2 4.26Å |
| 16 | G | 50.8 | Low | 59 | Low | 59 Ų | 59 | 100 Ų | 100 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | F12 | F12-G16 WeakPolarHBondContact O-CA 3.31Å; F12-G16 PolarHBondContact O-N 3.42Å |
| 17 | V | 48.4 | Very low | 59.4 | Low | 128 Ų | 128 | 99.5 Ų | 99.5 | 78% | 0.776 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | 7.2 | -172.9 | -163.3 | 0 | 0 | 0 | 0 | 113.6 | F15 | F15-V17 PolarHBondContact O-N 3.26Å; F15-V17 VanDerWaalsContact O-N 3.1Å |
| 18 | R | 46.2 | Very low | 59.6 | Low | 166 Ų | 166 | 104.8 Ų | 104.8 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | trans | -132.2 | 48.6 | -179.6 | -126 | 171.1 | -178.8 | 149.6 | -3.1 | 113.7 | T20 V109 | R18-T20 PolarHBondContact O-N 3.3Å; R18-V109 VanDerWaalsContact NH1-CG2 3.29Å | ||
| 19 | G | 45.2 | Very low | 59.9 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | trans | -72.7 | 114.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 20 | T | 45.2 | Very low | 60 | Low | 114 Ų | 114 | 99.2 Ų | 99.2 | 70% | 0.699 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 163.1 | 120.1 | 132.4 | 43.5 | 0 | 0 | 0 | 0 | 108.2 | R18 | R18-T20 PolarHBondContact O-N 3.3Š|
| 21 | D | 52.5 | Low | 60.6 | Low | 107 Ų | 107 | 98 Ų | 98 | 57% | 0.572 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 82.3 | 48.8 | 151.7 | -46.9 | -23.5 | 0 | 0 | 0 | 122.3 | H23 | D21-H23 IonicContact OD1-NE2 3.97Š|
| 22 | Q | 53 | Low | 61.4 | Low | 80 Ų | 80 | 98.3 Ų | 98.3 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | trans | -157.5 | 94.7 | 136 | -114.5 | -154.1 | 7.1 | 0 | 0 | 111.9 | N24 | Q22-N24 PolarHBondContact O-N 3.23Š| ||
| 23 | H | 57.1 | Low | 61.8 | Low | 141 Ų | 141 | 94.8 Ų | 94.8 | 65% | 0.653 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.3 | -158.8 | -61.4 | -65.1 | 0 | 0 | 0 | 116.9 | D21 A27 | D21-H23 IonicContact OD1-NE2 3.97Å; H23-A27 WeakPolarHBondContact O-CB 3.43Å |
| 24 | N | 63.6 | Low | 62.7 | Low | 138 Ų | 138 | 94.3 Ų | 94.3 | 74% | 0.738 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -51.3 | -169 | -63.6 | -13.2 | 0 | 0 | 0 | 113.8 | Q22 Y28 | Q22-N24 PolarHBondContact O-N 3.23Å; N24-Y28 WeakPolarHBondContact O-CB 3.37Å; N24-Y28 PolarHBondContact O-N 3.44Å |
| 25 | I | 63.6 | Low | 63.6 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.9 | -40.9 | -176.9 | -63.5 | 172.4 | 0 | 0 | 0 | 110.9 | Y28 T29 | I25-Y28 PolarHBondContact O-N 2.87Å; I25-T29 WeakPolarHBondContact O-CB 3.37Å; I25-T29 PolarHBondContact O-N 2.92Å; I25-T29 PolarHBondContact O-OG1 3.49Å |
| 26 | L | 67.3 | Low | 64.7 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 41% | 0.414 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.9 | -62.4 | 178.6 | 0 | 0 | 0 | 111.4 | T29 Y30 | L26-T29 PolarHBondContact O-N 3.41Å; L26-Y30 VanDerWaalsContact O-CB 3.23Å; L26-Y30 WeakPolarHBondContact O-CB 3.36Å; L26-Y30 PolarHBondContact O-N 2.91Å |
| 27 | A | 71.5 | Confident | 66.1 | Low | 42 Ų | 42 | 93.6 Ų | 93.6 | 35% | 0.347 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | H23 Y30 I31 | H23-A27 WeakPolarHBondContact O-CB 3.43Å; A27-Y30 WeakPolarHBondContact O-CB 3.39Å; A27-Y30 PolarHBondContact O-N 2.96Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.45Å; A27-I31 PolarHBondContact O-N 2.99Å |
| 28 | Y | 71 | Confident | 67.8 | Low | 167 Ų | 167 | 90.2 Ų | 90.2 | 66% | 0.655 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -50.5 | 175.6 | 178.8 | -100.4 | 0 | 0 | 0 | 111.6 | N24 I25 Y30 I31 V32 | N24-Y28 WeakPolarHBondContact O-CB 3.37Å; N24-Y28 PolarHBondContact O-N 3.44Å; I25-Y28 PolarHBondContact O-N 2.87Å; Y28-Y30 VanDerWaalsContact C-N 3.28Å; Y28-Y30 PolarHBondContact O-N 3.49Å; Y28-I31 PolarHBondContact O-N 3.43Å; Y28-V32 HydrophobicContact CD1-CG2 4.45Å; Y28-V32 HydrophobicContact CE1-CG2 4.02Å; Y28-V32 HydrophobicContact CE2-CG2 4.26Å; Y28-V32 WeakPolarHBondContact O-CG2 3.43Å; Y28-V32 PolarHBondContact O-N 2.91Å; Y28-V32 VanDerWaalsContact O-N 3.07Å |
| 29 | T | 72.6 | Confident | 69.6 | Low | 62 Ų | 62 | 87.6 Ų | 87.6 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 177.2 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | I25 L26 V32 L33 | I25-T29 WeakPolarHBondContact O-CB 3.37Å; I25-T29 PolarHBondContact O-N 2.92Å; I25-T29 PolarHBondContact O-OG1 3.49Å; L26-T29 PolarHBondContact O-N 3.41Å; T29-V32 PolarHBondContact O-N 3.35Å; T29-L33 HydrophobicContact CG2-CD1 3.49Å; T29-L33 VanDerWaalsContact CG2-CD1 3.49Å; T29-L33 WeakPolarHBondContact O-CD1 3.22Å; T29-L33 PolarHBondContact O-N 3.33Å |
| 30 | Y | 74.1 | Confident | 71.6 | Confident | 109 Ų | 109 | 87.6 Ų | 87.6 | 43% | 0.427 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 175.8 | 173.3 | -93.3 | 0 | 0 | 0 | 113.1 | Y11 F15 L26 A27 Y28 V32 L33 A34 | Y11-Y30 AromaticContact CE1-CE2 3.99Å; Y11-Y30 HydrophobicContact CE1-CE2 3.99Å; Y11-Y30 AromaticContact CZ-CE2 3.62Å; Y11-Y30 WeakPolarHBondContact OH-CD2 3.41Å; Y11-Y30 WeakPolarHBondContact OH-CE2 3.3Å; F15-Y30 AromaticContact CD1-CD2 3.97Å; F15-Y30 HydrophobicContact CD1-CD2 3.97Å; F15-Y30 AromaticContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CG 4.48Å; F15-Y30 HydrophobicContact CZ-CD2 4.26Å; L26-Y30 VanDerWaalsContact O-CB 3.23Å; L26-Y30 WeakPolarHBondContact O-CB 3.36Å; L26-Y30 PolarHBondContact O-N 2.91Å; A27-Y30 WeakPolarHBondContact O-CB 3.39Å; A27-Y30 PolarHBondContact O-N 2.96Å; Y28-Y30 VanDerWaalsContact C-N 3.28Å; Y28-Y30 PolarHBondContact O-N 3.49Å; Y30-V32 VanDerWaalsContact C-N 3.29Å; Y30-V32 PolarHBondContact O-N 2.89Å; Y30-L33 PolarHBondContact O-N 3.41Å; Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.36Å; Y30-A34 PolarHBondContact O-N 3.14Å |
| 31 | I | 79.2 | Confident | 73.5 | Confident | 110 Ų | 110 | 87.6 Ų | 87.6 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 179.9 | -68.2 | 164.1 | 0 | 0 | 0 | 110.5 | A27 Y28 A34 A35 | A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.45Å; A27-I31 PolarHBondContact O-N 2.99Å; Y28-I31 PolarHBondContact O-N 3.43Å; I31-A34 PolarHBondContact O-N 3.5Å; I31-A35 WeakPolarHBondContact O-CB 3.27Å; I31-A35 PolarHBondContact O-N 2.94Å |
| 32 | V | 78.1 | Confident | 75.1 | Confident | 57 Ų | 57 | 86.1 Ų | 86.1 | 35% | 0.345 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 178.2 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | Y28 T29 Y30 A34 A35 I36 | Y28-V32 HydrophobicContact CD1-CG2 4.45Å; Y28-V32 HydrophobicContact CE1-CG2 4.02Å; Y28-V32 HydrophobicContact CE2-CG2 4.26Å; Y28-V32 WeakPolarHBondContact O-CG2 3.43Å; Y28-V32 PolarHBondContact O-N 2.91Å; Y28-V32 VanDerWaalsContact O-N 3.07Å; T29-V32 PolarHBondContact O-N 3.35Å; Y30-V32 VanDerWaalsContact C-N 3.29Å; Y30-V32 PolarHBondContact O-N 2.89Å; V32-A34 PolarHBondContact O-N 3.36Å; V32-A35 PolarHBondContact O-N 3.34Å; V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 3.29Å |
| 33 | L | 77.9 | Confident | 76.7 | Confident | 82 Ų | 82 | 84.3 Ų | 84.3 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.6 | -87.6 | 104.6 | 0 | 0 | 0 | 112.2 | Y11 T29 Y30 A35 I36 G37 | Y11-L33 HydrophobicContact CE2-CB 4.09Å; T29-L33 HydrophobicContact CG2-CD1 3.49Å; T29-L33 VanDerWaalsContact CG2-CD1 3.49Å; T29-L33 WeakPolarHBondContact O-CD1 3.22Å; T29-L33 PolarHBondContact O-N 3.33Å; Y30-L33 PolarHBondContact O-N 3.41Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.34Å; L33-I36 PolarHBondContact O-N 2.98Å; L33-G37 PolarHBondContact O-N 3.12Å |
| 34 | A | 80.1 | Confident | 78.3 | Confident | 36 Ų | 36 | 79.7 Ų | 79.7 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y11 Y30 I31 V32 G37 A38 | Y11-A34 WeakPolarHBondContact OH-CB 3.19Å; Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.36Å; Y30-A34 PolarHBondContact O-N 3.14Å; I31-A34 PolarHBondContact O-N 3.5Å; V32-A34 PolarHBondContact O-N 3.36Å; A34-G37 PolarHBondContact O-N 2.88Å; A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.4Å |
| 35 | A | 80 | Confident | 79.4 | Confident | 58 Ų | 58 | 76.8 Ų | 76.8 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I31 V32 L33 A38 L39 | I31-A35 WeakPolarHBondContact O-CB 3.27Å; I31-A35 PolarHBondContact O-N 2.94Å; V32-A35 PolarHBondContact O-N 3.34Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.34Å; A35-A38 PolarHBondContact O-N 3.01Å; A35-L39 WeakPolarHBondContact O-CB 3.5Å; A35-L39 PolarHBondContact O-N 3.36Å |
| 36 | I | 81.6 | Confident | 80.5 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 56% | 0.559 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 176.7 | -64.5 | 165.7 | 0 | 0 | 0 | 110.7 | V32 L33 L39 S40 | V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 3.29Å; L33-I36 PolarHBondContact O-N 2.98Å; I36-L39 PolarHBondContact O-N 3.44Å; I36-S40 WeakPolarHBondContact O-CB 3.46Å; I36-S40 PolarHBondContact O-N 3.48Å; I36-S40 PolarHBondContact O-OG 3.47Å |
| 37 | G | 80.3 | Confident | 81.4 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 38% | 0.381 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L33 A34 S40 F41 | L33-G37 PolarHBondContact O-N 3.12Å; A34-G37 PolarHBondContact O-N 2.88Å; G37-S40 WeakPolarHBondContact CA-OG 3.22Å; G37-S40 PolarHBondContact O-OG 3.3Å; G37-F41 WeakPolarHBondContact O-CB 3.32Å; G37-F41 PolarHBondContact O-N 3.24Å |
| 38 | A | 84.4 | Confident | 82.1 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 48% | 0.479 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | A34 A35 F41 V42 | A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.4Å; A35-A38 PolarHBondContact O-N 3.01Å; A38-F41 WeakPolarHBondContact O-CB 3.19Å; A38-F41 PolarHBondContact O-N 2.99Å; A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 3.49Å |
| 39 | L | 83.9 | Confident | 82.8 | Confident | 110 Ų | 110 | 69 Ų | 69 | 58% | 0.576 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.9 | -47.4 | 178.2 | -177.3 | 63.3 | 0 | 0 | 0 | 111.5 | A35 I36 F41 V42 L43 | A35-L39 WeakPolarHBondContact O-CB 3.5Å; A35-L39 PolarHBondContact O-N 3.36Å; I36-L39 PolarHBondContact O-N 3.44Å; L39-F41 VanDerWaalsContact C-N 3.28Å; L39-F41 PolarHBondContact O-N 2.95Å; L39-V42 PolarHBondContact O-N 3.47Å; L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.36Å |
| 40 | S | 86.3 | Confident | 83.2 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | I36 G37 G44 | I36-S40 WeakPolarHBondContact O-CB 3.46Å; I36-S40 PolarHBondContact O-N 3.48Å; I36-S40 PolarHBondContact O-OG 3.47Å; G37-S40 WeakPolarHBondContact CA-OG 3.22Å; G37-S40 PolarHBondContact O-OG 3.3Å; S40-G44 PolarHBondContact O-N 2.98Å |
| 41 | F | 85.4 | Confident | 83.6 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 173 | -178.4 | -107.2 | 0 | 0 | 0 | 112.5 | G37 A38 L39 G44 I45 | G37-F41 WeakPolarHBondContact O-CB 3.32Å; G37-F41 PolarHBondContact O-N 3.24Å; A38-F41 WeakPolarHBondContact O-CB 3.19Å; A38-F41 PolarHBondContact O-N 2.99Å; L39-F41 VanDerWaalsContact C-N 3.28Å; L39-F41 PolarHBondContact O-N 2.95Å; F41-G44 PolarHBondContact O-N 2.89Å; F41-I45 HydrophobicContact CD1-CD1 3.9Å; F41-I45 HydrophobicContact CE1-CD1 3.26Å; F41-I45 HydrophobicContact CE1-CG1 4.26Å; F41-I45 HydrophobicContact CE2-CD1 4.15Å; F41-I45 HydrophobicContact CE2-CG1 4.45Å; F41-I45 HydrophobicContact CZ-CD1 3.42Å; F41-I45 VanDerWaalsContact CZ-CD1 3.42Å; F41-I45 HydrophobicContact CZ-CG1 4.19Å; F41-I45 PolarHBondContact O-N 2.85Å |
| 42 | V | 85.8 | Confident | 83.7 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | A38 L39 G44 I45 L46 | A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 3.49Å; L39-V42 PolarHBondContact O-N 3.47Å; V42-G44 VanDerWaalsContact C-N 3.28Å; V42-G44 PolarHBondContact O-N 3.44Å; V42-I45 PolarHBondContact O-N 2.87Å; V42-L46 HydrophobicContact CG1-CD1 3.87Å; V42-L46 HydrophobicContact CG1-CG 4.24Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.31Å |
| 43 | L | 87.9 | Confident | 83.8 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 23% | 0.225 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.6 | -39.7 | 175.3 | -67.3 | 176 | 0 | 0 | 0 | 112.1 | L39 L46 G47 L65 | L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.36Å; L43-L46 PolarHBondContact O-N 2.89Å; L43-G47 PolarHBondContact O-N 2.89Å; L43-L65 HydrophobicContact CD2-CD1 3.55Å |
| 44 | G | 89 | Confident | 83.6 | Confident | 44 Ų | 44 | 73 Ų | 73 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S40 F41 V42 G47 C48 | S40-G44 PolarHBondContact O-N 2.98Å; F41-G44 PolarHBondContact O-N 2.89Å; V42-G44 VanDerWaalsContact C-N 3.28Å; V42-G44 PolarHBondContact O-N 3.44Å; G44-G47 PolarHBondContact O-N 3.47Å; G44-C48 VanDerWaalsContact O-CB 3.29Å; G44-C48 WeakPolarHBondContact O-CB 3.44Å; G44-C48 PolarHBondContact O-N 2.99Å |
| 45 | I | 87.1 | Confident | 83.6 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 173.8 | -70.6 | 179.1 | 0 | 0 | 0 | 110.3 | F41 V42 G47 C48 C49 | F41-I45 HydrophobicContact CD1-CD1 3.9Å; F41-I45 HydrophobicContact CE1-CD1 3.26Å; F41-I45 HydrophobicContact CE1-CG1 4.26Å; F41-I45 HydrophobicContact CE2-CD1 4.15Å; F41-I45 HydrophobicContact CE2-CG1 4.45Å; F41-I45 HydrophobicContact CZ-CD1 3.42Å; F41-I45 VanDerWaalsContact CZ-CD1 3.42Å; F41-I45 HydrophobicContact CZ-CG1 4.19Å; F41-I45 PolarHBondContact O-N 2.85Å; V42-I45 PolarHBondContact O-N 2.87Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.15Å; I45-C48 PolarHBondContact O-N 3.3Å; I45-C49 WeakPolarHBondContact O-CB 3.5Å; I45-C49 PolarHBondContact O-N 3.03Å; I45-C49 PolarHBondContact O-SG 3.02Å; I45-C49 VanDerWaalsContact O-SG 3.4Å |
| 46 | L | 86.3 | Confident | 83.6 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 17% | 0.168 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 177.9 | -69.5 | 172.6 | 0 | 0 | 0 | 111.7 | V42 L43 G50 L58 F61 L65 | V42-L46 HydrophobicContact CG1-CD1 3.87Å; V42-L46 HydrophobicContact CG1-CG 4.24Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.31Å; L43-L46 PolarHBondContact O-N 2.89Å; L46-G50 VanDerWaalsContact O-CA 3.27Å; L46-G50 WeakPolarHBondContact O-CA 3.32Å; L46-G50 PolarHBondContact O-N 3.01Å; L46-L58 HydrophobicContact CD2-CD1 3.52Å; L46-L58 HydrophobicContact CD2-CG 4.41Å; L46-F61 HydrophobicContact CD1-CD1 4Å; L46-F61 HydrophobicContact CD1-CE1 3.77Å; L46-L65 HydrophobicContact CD1-CD1 4.42Å |
| 47 | G | 86.7 | Confident | 83.7 | Confident | 21 Ų | 21 | 76 Ų | 76 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L43 G44 I45 G50 S51 | L43-G47 PolarHBondContact O-N 2.89Å; G44-G47 PolarHBondContact O-N 3.47Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.15Å; G47-G50 PolarHBondContact O-N 3.28Å; G47-S51 PolarHBondContact O-N 3.41Å |
| 48 | C | 86.6 | Confident | 84 | Confident | 90 Ų | 90 | 76.4 Ų | 76.4 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66 | -53 | -179.9 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | G44 I45 G50 S51 Y52 | G44-C48 VanDerWaalsContact O-CB 3.29Å; G44-C48 WeakPolarHBondContact O-CB 3.44Å; G44-C48 PolarHBondContact O-N 2.99Å; I45-C48 PolarHBondContact O-N 3.3Å; C48-G50 VanDerWaalsContact C-N 3.28Å; C48-G50 PolarHBondContact O-N 3.47Å; C48-S51 PolarHBondContact O-N 2.93Å; C48-Y52 WeakPolarHBondContact O-CB 3.08Å; C48-Y52 PolarHBondContact O-N 3.32Å |
| 49 | C | 85.2 | Confident | 84.1 | Confident | 58 Ų | 58 | 74 Ų | 74 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.1 | -33.2 | 175.9 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | I45 Y52 H53 L58 | I45-C49 WeakPolarHBondContact O-CB 3.5Å; I45-C49 PolarHBondContact O-N 3.03Å; I45-C49 PolarHBondContact O-SG 3.02Å; I45-C49 VanDerWaalsContact O-SG 3.4Å; C49-Y52 PolarHBondContact O-N 3.4Å; C49-H53 VanDerWaalsContact O-CB 3.31Å; C49-H53 WeakPolarHBondContact O-CB 3.45Å; C49-H53 PolarHBondContact O-N 2.81Å; C49-L58 HydrophobicContact CB-CD2 3.77Å |
| 50 | G | 81.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L46 G47 C48 L58 | L46-G50 VanDerWaalsContact O-CA 3.27Å; L46-G50 WeakPolarHBondContact O-CA 3.32Å; L46-G50 PolarHBondContact O-N 3.01Å; G47-G50 PolarHBondContact O-N 3.28Å; C48-G50 VanDerWaalsContact C-N 3.28Å; C48-G50 PolarHBondContact O-N 3.47Å; G50-L58 VanDerWaalsContact N-CD2 3.29Å |
| 51 | S | 81.3 | Confident | 84.4 | Confident | 56 Ų | 56 | 72.3 Ų | 72.3 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 174.4 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | G47 C48 | G47-S51 PolarHBondContact O-N 3.41Å; C48-S51 PolarHBondContact O-N 2.93Å |
| 52 | Y | 83.1 | Confident | 84.7 | Confident | 195 Ų | 195 | 69.6 Ų | 69.6 | 77% | 0.765 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75.4 | -45.7 | -175.9 | -175.7 | -99 | 0 | 0 | 0 | 112.9 | C48 C49 Y54 | C48-Y52 WeakPolarHBondContact O-CB 3.08Å; C48-Y52 PolarHBondContact O-N 3.32Å; C49-Y52 PolarHBondContact O-N 3.4Å; Y52-Y54 VanDerWaalsContact C-N 3.3Å; Y52-Y54 WeakPolarHBondContact O-CD2 3.39Å; Y52-Y54 PolarHBondContact O-N 2.85Å |
| 53 | H | 78.8 | Confident | 85 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 64% | 0.639 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -84 | -2.5 | -172.2 | -160 | -76.3 | 0 | 0 | 0 | 113.2 | C49 S55 | C49-H53 VanDerWaalsContact O-CB 3.31Å; C49-H53 WeakPolarHBondContact O-CB 3.45Å; C49-H53 PolarHBondContact O-N 2.81Å; H53-S55 PolarHBondContact O-N 2.75Å |
| 54 | Y | 74.3 | Confident | 85.2 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | trans | 47.6 | 26.3 | -174.7 | -71.3 | -96.8 | 0 | 0 | 0 | 112.8 | Y52 R56 V196 | Y52-Y54 VanDerWaalsContact C-N 3.3Å; Y52-Y54 WeakPolarHBondContact O-CD2 3.39Å; Y52-Y54 PolarHBondContact O-N 2.85Å; Y54-R56 PolarHBondContact O-N 3.37Å; Y54-V196 HydrophobicContact CD1-CG2 3.57Å; Y54-V196 HydrophobicContact CE1-CG2 4.5Å; Y54-V196 HydrophobicContact CG-CG2 4.25Å; Y54-V196 WeakPolarHBondContact O-CG1 3.38Å | ||
| 55 | S | 79.2 | Confident | 85.4 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | trans | -81.9 | 113 | -176.2 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | H53 C57 L58 L59 | H53-S55 PolarHBondContact O-N 2.75Å; S55-C57 PolarHBondContact O-N 2.87Å; S55-L58 PolarHBondContact O-N 2.9Å; S55-L58 VanDerWaalsContact O-N 3.14Å; S55-L59 PolarHBondContact O-N 3.29Å; S55-L59 VanDerWaalsContact O-N 3.12Å | ||
| 56 | R | 80.1 | Confident | 85.6 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.7 | -40.3 | -179.7 | -63.7 | -178.9 | -172.9 | -159.3 | -1.4 | 112.1 | Y54 G60 V196 N197 | Y54-R56 PolarHBondContact O-N 3.37Å; R56-G60 PolarHBondContact O-N 3.34Å; R56-V196 HydrophobicContact CG-CG1 3.44Å; R56-V196 VanDerWaalsContact CG-CG1 3.44Å; R56-V196 PolarHBondContact NH2-O 3.48Å; R56-N197 PolarHBondContact NH1-OD1 3.14Å; R56-N197 PolarHBondContact NH2-O 3.41Å |
| 57 | C | 83.6 | Confident | 86 | Confident | 106 Ų | 106 | 68 Ų | 68 | 72% | 0.716 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | -179.5 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | S55 G60 F61 | S55-C57 PolarHBondContact O-N 2.87Å; C57-G60 PolarHBondContact O-N 3.19Å; C57-F61 WeakPolarHBondContact O-CB 3.15Å; C57-F61 PolarHBondContact O-N 3.45Å |
| 58 | L | 86.3 | Confident | 86.4 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.7 | -41.1 | -178 | -162.3 | 68.9 | 0 | 0 | 0 | 111.3 | L46 C49 G50 S55 F61 Y62 | L46-L58 HydrophobicContact CD2-CD1 3.52Å; L46-L58 HydrophobicContact CD2-CG 4.41Å; C49-L58 HydrophobicContact CB-CD2 3.77Å; G50-L58 VanDerWaalsContact N-CD2 3.29Å; S55-L58 PolarHBondContact O-N 2.9Å; S55-L58 VanDerWaalsContact O-N 3.14Å; L58-F61 PolarHBondContact O-N 3.49Å; L58-Y62 PolarHBondContact O-N 2.82Å |
| 59 | L | 87 | Confident | 86.7 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 177 | -170.5 | 64.5 | 0 | 0 | 0 | 112 | S55 Y62 F63 A189 L192 C193 | S55-L59 PolarHBondContact O-N 3.29Å; S55-L59 VanDerWaalsContact O-N 3.12Å; L59-Y62 PolarHBondContact O-N 3.5Å; L59-F63 WeakPolarHBondContact O-CB 3.36Å; L59-F63 PolarHBondContact O-N 2.83Å; L59-A189 HydrophobicContact CD1-CB 4.29Å; L59-L192 HydrophobicContact CD1-CB 4.4Å; L59-L192 HydrophobicContact CD2-CB 3.69Å; L59-C193 VanDerWaalsContact CD2-CA 3.49Å; L59-C193 HydrophobicContact CD2-CB 3.73Å; L59-C193 VanDerWaalsContact CD2-N 3.29Å |
| 60 | G | 88.1 | Confident | 87 | Confident | 34 Ų | 34 | 69.7 Ų | 69.7 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R56 C57 F63 A64 | R56-G60 PolarHBondContact O-N 3.34Å; C57-G60 PolarHBondContact O-N 3.19Å; G60-F63 PolarHBondContact O-N 3.01Å; G60-A64 WeakPolarHBondContact O-CB 3.48Å; G60-A64 PolarHBondContact O-N 3.27Å |
| 61 | F | 89.3 | Confident | 87.7 | Confident | 107 Ų | 107 | 72.3 Ų | 72.3 | 47% | 0.469 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.3 | -174.3 | -108.9 | 0 | 0 | 0 | 111.9 | L46 C57 L58 F63 A64 L65 | L46-F61 HydrophobicContact CD1-CD1 4Å; L46-F61 HydrophobicContact CD1-CE1 3.77Å; C57-F61 WeakPolarHBondContact O-CB 3.15Å; C57-F61 PolarHBondContact O-N 3.45Å; L58-F61 PolarHBondContact O-N 3.49Å; F61-F63 PolarHBondContact O-N 3.09Å; F61-A64 PolarHBondContact O-N 2.91Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.41Å; F61-L65 HydrophobicContact CE1-CD1 3.38Å; F61-L65 HydrophobicContact CE1-CG 4.13Å; F61-L65 HydrophobicContact CE2-CG 4.49Å; F61-L65 HydrophobicContact CZ-CD1 3.79Å; F61-L65 HydrophobicContact CZ-CD2 4.27Å; F61-L65 HydrophobicContact CZ-CG 4.16Å; F61-L65 WeakPolarHBondContact O-CG 3.32Å; F61-L65 PolarHBondContact O-N 3.38Å |
| 62 | Y | 90.8 | Very high | 88.2 | Confident | 59 Ų | 59 | 74 Ų | 74 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.9 | 176.6 | -106.7 | 0 | 0 | 0 | 112.3 | L58 L59 A64 L65 L66 A189 | L58-Y62 PolarHBondContact O-N 2.82Å; L59-Y62 PolarHBondContact O-N 3.5Å; Y62-A64 PolarHBondContact O-N 3.38Å; Y62-L65 PolarHBondContact O-N 2.93Å; Y62-L66 HydrophobicContact CD1-CD1 4.14Å; Y62-L66 HydrophobicContact CE1-CD1 3.45Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.45Å; Y62-L66 HydrophobicContact CE1-CG 4.17Å; Y62-L66 HydrophobicContact CE2-CD1 4.28Å; Y62-L66 HydrophobicContact CE2-CD2 4.4Å; Y62-L66 HydrophobicContact CE2-CG 4.2Å; Y62-L66 PolarHBondContact O-N 3.2Å; Y62-A189 HydrophobicContact CD1-CB 4.16Å; Y62-A189 HydrophobicContact CE1-CB 4.3Å |
| 63 | F | 92.3 | Very high | 88.6 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.2 | 177.7 | -98 | 0 | 0 | 0 | 112.2 | L59 G60 F61 L65 L66 L67 L186 A189 M190 | L59-F63 WeakPolarHBondContact O-CB 3.36Å; L59-F63 PolarHBondContact O-N 2.83Å; G60-F63 PolarHBondContact O-N 3.01Å; F61-F63 PolarHBondContact O-N 3.09Å; F63-L65 PolarHBondContact O-N 3.07Å; F63-L66 PolarHBondContact O-N 2.98Å; F63-L67 HydrophobicContact CD1-CD1 3.94Å; F63-L67 HydrophobicContact CD1-CG 4.32Å; F63-L67 HydrophobicContact CE1-CD1 3.23Å; F63-L67 HydrophobicContact CE1-CG 3.87Å; F63-L67 HydrophobicContact CE2-CD1 4.5Å; F63-L67 HydrophobicContact CE2-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 3.55Å; F63-L67 HydrophobicContact CZ-CD2 4.16Å; F63-L67 HydrophobicContact CZ-CG 3.86Å; F63-L67 PolarHBondContact O-N 2.92Å; F63-L186 HydrophobicContact CD2-CD2 3.53Å; F63-L186 HydrophobicContact CE2-CB 4.28Å; F63-L186 HydrophobicContact CE2-CD2 3.51Å; F63-L186 HydrophobicContact CE2-CG 4.49Å; F63-L186 HydrophobicContact CG-CD2 4.35Å; F63-L186 HydrophobicContact CZ-CD2 4.33Å; F63-A189 HydrophobicContact CB-CB 4.31Å; F63-A189 HydrophobicContact CD2-CB 4.08Å; F63-M190 HydrophobicContact CD2-CG 4.26Å; F63-M190 HydrophobicContact CD2-SD 4.32Å; F63-M190 HydrophobicContact CE1-CE 4.19Å; F63-M190 HydrophobicContact CE2-CE 3.7Å; F63-M190 HydrophobicContact CE2-CG 3.67Å; F63-M190 HydrophobicContact CE2-SD 3.75Å; F63-M190 HydrophobicContact CZ-CE 3.37Å; F63-M190 HydrophobicContact CZ-CG 4.35Å; F63-M190 HydrophobicContact CZ-SD 3.92Å |
| 64 | A | 93.2 | Very high | 89.3 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | G60 F61 Y62 L67 V68 | G60-A64 WeakPolarHBondContact O-CB 3.48Å; G60-A64 PolarHBondContact O-N 3.27Å; F61-A64 PolarHBondContact O-N 2.91Å; Y62-A64 PolarHBondContact O-N 3.38Å; A64-L67 PolarHBondContact O-N 2.86Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.02Å |
| 65 | L | 92.2 | Very high | 90.1 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176 | -72.2 | 178.3 | 0 | 0 | 0 | 112.1 | L43 L46 F61 Y62 F63 L67 V68 I69 | L43-L65 HydrophobicContact CD2-CD1 3.55Å; L46-L65 HydrophobicContact CD1-CD1 4.42Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.41Å; F61-L65 HydrophobicContact CE1-CD1 3.38Å; F61-L65 HydrophobicContact CE1-CG 4.13Å; F61-L65 HydrophobicContact CE2-CG 4.49Å; F61-L65 HydrophobicContact CZ-CD1 3.79Å; F61-L65 HydrophobicContact CZ-CD2 4.27Å; F61-L65 HydrophobicContact CZ-CG 4.16Å; F61-L65 WeakPolarHBondContact O-CG 3.32Å; F61-L65 PolarHBondContact O-N 3.38Å; Y62-L65 PolarHBondContact O-N 2.93Å; F63-L65 PolarHBondContact O-N 3.07Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.43Å; L65-V68 PolarHBondContact O-N 3.13Å; L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.41Å; L65-I69 PolarHBondContact O-N 3.29Å |
| 66 | L | 92.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.4 | -73.6 | -175.5 | 0 | 0 | 0 | 112.3 | Y62 F63 V68 I69 F70 L186 | Y62-L66 HydrophobicContact CD1-CD1 4.14Å; Y62-L66 HydrophobicContact CE1-CD1 3.45Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.45Å; Y62-L66 HydrophobicContact CE1-CG 4.17Å; Y62-L66 HydrophobicContact CE2-CD1 4.28Å; Y62-L66 HydrophobicContact CE2-CD2 4.4Å; Y62-L66 HydrophobicContact CE2-CG 4.2Å; Y62-L66 PolarHBondContact O-N 3.2Å; F63-L66 PolarHBondContact O-N 2.98Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.96Å; L66-I69 PolarHBondContact O-N 3.38Å; L66-F70 WeakPolarHBondContact O-CB 3.46Å; L66-F70 PolarHBondContact O-N 3.22Å; L66-L186 HydrophobicContact CB-CD2 3.51Å; L66-L186 HydrophobicContact CB-CG 4.07Å; L66-L186 HydrophobicContact CD1-CD2 4.17Å; L66-L186 HydrophobicContact CD1-CG 4.31Å |
| 67 | L | 94.2 | Very high | 90.9 | Very high | 72 Ų | 72 | 60 Ų | 60 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 176 | -78.5 | -173.1 | 0 | 0 | 0 | 112.6 | F63 A64 L65 F70 A71 L186 | F63-L67 HydrophobicContact CD1-CD1 3.94Å; F63-L67 HydrophobicContact CD1-CG 4.32Å; F63-L67 HydrophobicContact CE1-CD1 3.23Å; F63-L67 HydrophobicContact CE1-CG 3.87Å; F63-L67 HydrophobicContact CE2-CD1 4.5Å; F63-L67 HydrophobicContact CE2-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 3.55Å; F63-L67 HydrophobicContact CZ-CD2 4.16Å; F63-L67 HydrophobicContact CZ-CG 3.86Å; F63-L67 PolarHBondContact O-N 2.92Å; A64-L67 PolarHBondContact O-N 2.86Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.43Å; L67-F70 PolarHBondContact O-N 3.45Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.93Å; L67-L186 HydrophobicContact CD2-CD1 3.75Å; L67-L186 HydrophobicContact CD2-CD2 3.75Å; L67-L186 HydrophobicContact CD2-CG 4.43Å; L67-L186 HydrophobicContact CG-CD2 3.84Å |
| 68 | V | 94.6 | Very high | 91.4 | Very high | 82 Ų | 82 | 59.1 Ų | 59.1 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | A64 L65 L66 A71 I72 | A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.02Å; L65-V68 PolarHBondContact O-N 3.13Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.96Å; V68-A71 PolarHBondContact O-N 3.35Å; V68-I72 HydrophobicContact CG1-CD1 3.82Å; V68-I72 VanDerWaalsContact O-CG1 3.28Å; V68-I72 WeakPolarHBondContact O-CG1 3.26Å; V68-I72 PolarHBondContact O-N 2.91Å |
| 69 | I | 92.3 | Very high | 91.6 | Very high | 63 Ų | 63 | 59.3 Ų | 59.3 | 32% | 0.323 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 176.6 | -63.3 | 166.1 | 0 | 0 | 0 | 110.2 | L65 L66 A71 I72 E73 E182 | L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.41Å; L65-I69 PolarHBondContact O-N 3.29Å; L66-I69 PolarHBondContact O-N 3.38Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.2Å; I69-I72 CarbonylContact O-C 3.56Å; I69-I72 WeakPolarHBondContact O-CA 3.28Å; I69-I72 WeakPolarHBondContact O-CB 3.2Å; I69-I72 PolarHBondContact O-N 3.42Å; I69-I72 VanDerWaalsContact O-N 3.07Å; I69-E73 PolarHBondContact O-N 3.43Å; I69-E182 WeakPolarHBondContact CG2-OE1 3.29Å |
| 70 | F | 93.2 | Very high | 91.5 | Very high | 60 Ų | 60 | 60.6 Ų | 60.6 | 26% | 0.263 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 177.1 | -178.8 | -103.7 | 0 | 0 | 0 | 112.6 | L66 L67 E73 I74 A179 E182 | L66-F70 WeakPolarHBondContact O-CB 3.46Å; L66-F70 PolarHBondContact O-N 3.22Å; L67-F70 PolarHBondContact O-N 3.45Å; F70-E73 PolarHBondContact O-N 3.28Å; F70-I74 HydrophobicContact CD1-CD1 3.92Å; F70-I74 HydrophobicContact CE1-CD1 3.4Å; F70-I74 VanDerWaalsContact CE1-CD1 3.4Å; F70-I74 HydrophobicContact CE1-CG1 4.48Å; F70-I74 HydrophobicContact CE2-CD1 4.4Å; F70-I74 HydrophobicContact CZ-CD1 3.69Å; F70-I74 HydrophobicContact CZ-CG1 4.5Å; F70-I74 WeakPolarHBondContact O-CG1 3.33Å; F70-I74 PolarHBondContact O-N 3.31Å; F70-I74 VanDerWaalsContact O-N 3.09Å; F70-A179 HydrophobicContact CE2-CB 4.11Å; F70-E182 WeakPolarHBondContact CA-OE2 3.33Å; F70-E182 PolarHBondContact N-OE2 2.93Å |
| 71 | A | 95.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L67 V68 I69 A75 | L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.93Å; V68-A71 PolarHBondContact O-N 3.35Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.2Å; A71-A75 WeakPolarHBondContact O-CB 3.49Å; A71-A75 PolarHBondContact O-N 2.92Å |
| 72 | I | 92.4 | Very high | 91.7 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 175 | -70.2 | 166.8 | 0 | 0 | 0 | 110.5 | V68 I69 I74 A75 I76 | V68-I72 HydrophobicContact CG1-CD1 3.82Å; V68-I72 VanDerWaalsContact O-CG1 3.28Å; V68-I72 WeakPolarHBondContact O-CG1 3.26Å; V68-I72 PolarHBondContact O-N 2.91Å; I69-I72 CarbonylContact O-C 3.56Å; I69-I72 WeakPolarHBondContact O-CA 3.28Å; I69-I72 WeakPolarHBondContact O-CB 3.2Å; I69-I72 PolarHBondContact O-N 3.42Å; I69-I72 VanDerWaalsContact O-N 3.07Å; I72-I74 PolarHBondContact O-N 3.45Å; I72-A75 PolarHBondContact O-N 3.15Å; I72-I76 HydrophobicContact CG2-CD1 3.61Å; I72-I76 HydrophobicContact CG2-CG1 4.19Å; I72-I76 WeakPolarHBondContact O-CB 3.29Å; I72-I76 VanDerWaalsContact O-CG1 3.29Å; I72-I76 WeakPolarHBondContact O-CG1 3.22Å; I72-I76 PolarHBondContact O-N 2.9Å |
| 73 | E | 90.8 | Very high | 91.7 | Very high | 24 Ų | 24 | 67 Ų | 67 | 11% | 0.112 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 177.5 | -171.9 | -174.7 | -175.7 | 0 | 0 | 111.4 | I69 F70 A75 I76 G77 V175 I178 A179 | I69-E73 PolarHBondContact O-N 3.43Å; F70-E73 PolarHBondContact O-N 3.28Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.17Å; E73-I76 PolarHBondContact O-N 3.08Å; E73-G77 PolarHBondContact O-N 2.85Å; E73-V175 HydrophobicContact CG-CG1 4.32Å; E73-I178 WeakPolarHBondContact OE1-CB 3.42Å; E73-I178 VanDerWaalsContact OE1-CG2 3.29Å; E73-I178 WeakPolarHBondContact OE1-CG2 3.47Å; E73-A179 PolarHBondContact OE1-N 2.91Å; E73-A179 VanDerWaalsContact OE2-CA 3.28Å; E73-A179 WeakPolarHBondContact OE2-CA 3.42Å; E73-A179 PolarHBondContact OE2-N 2.95Å |
| 74 | I | 92.6 | Very high | 91.5 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.8 | -67.1 | 171.3 | 0 | 0 | 0 | 110.6 | F70 I72 I76 G77 V78 | F70-I74 HydrophobicContact CD1-CD1 3.92Å; F70-I74 HydrophobicContact CE1-CD1 3.4Å; F70-I74 VanDerWaalsContact CE1-CD1 3.4Å; F70-I74 HydrophobicContact CE1-CG1 4.48Å; F70-I74 HydrophobicContact CE2-CD1 4.4Å; F70-I74 HydrophobicContact CZ-CD1 3.69Å; F70-I74 HydrophobicContact CZ-CG1 4.5Å; F70-I74 WeakPolarHBondContact O-CG1 3.33Å; F70-I74 PolarHBondContact O-N 3.31Å; F70-I74 VanDerWaalsContact O-N 3.09Å; I72-I74 PolarHBondContact O-N 3.45Å; I74-I76 PolarHBondContact O-N 2.99Å; I74-G77 PolarHBondContact O-N 2.87Å; I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 VanDerWaalsContact O-CG2 3.32Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 3.25Å |
| 75 | A | 92.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 73.7 Ų | 73.7 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A71 I72 E73 A79 | A71-A75 WeakPolarHBondContact O-CB 3.49Å; A71-A75 PolarHBondContact O-N 2.92Å; I72-A75 PolarHBondContact O-N 3.15Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.17Å; A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 3.41Å |
| 76 | I | 88 | Confident | 91.5 | Very high | 114 Ų | 114 | 77 Ų | 77 | 59% | 0.585 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 175.1 | -68.5 | 169 | 0 | 0 | 0 | 110.4 | I72 E73 I74 A79 G80 | I72-I76 HydrophobicContact CG2-CD1 3.61Å; I72-I76 HydrophobicContact CG2-CG1 4.19Å; I72-I76 WeakPolarHBondContact O-CB 3.29Å; I72-I76 VanDerWaalsContact O-CG1 3.29Å; I72-I76 WeakPolarHBondContact O-CG1 3.22Å; I72-I76 PolarHBondContact O-N 2.9Å; E73-I76 PolarHBondContact O-N 3.08Å; I74-I76 PolarHBondContact O-N 2.99Å; I76-A79 PolarHBondContact O-N 2.92Å; I76-G80 PolarHBondContact O-N 3.45Å |
| 77 | G | 88.3 | Confident | 91.2 | Very high | 29 Ų | 29 | 77.6 Ų | 77.6 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E73 I74 F81 | E73-G77 PolarHBondContact O-N 2.85Å; I74-G77 PolarHBondContact O-N 2.87Å; G77-F81 WeakPolarHBondContact O-CB 3.43Å; G77-F81 PolarHBondContact O-N 3.05Å |
| 78 | V | 92.2 | Very high | 91.1 | Very high | 87 Ų | 87 | 76.5 Ų | 76.5 | 53% | 0.527 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66 | -47 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | I74 G80 F81 V82 | I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 VanDerWaalsContact O-CG2 3.32Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 3.25Å; V78-G80 PolarHBondContact O-N 3.22Å; V78-F81 PolarHBondContact O-N 3.46Å; V78-V82 HydrophobicContact CG1-CG2 4.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.27Å; V78-V82 PolarHBondContact O-N 2.85Å |
| 79 | A | 90.6 | Very high | 91.1 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A75 I76 F81 V82 H83 | A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 3.41Å; I76-A79 PolarHBondContact O-N 2.92Å; A79-F81 VanDerWaalsContact C-N 3.32Å; A79-F81 PolarHBondContact O-N 2.8Å; A79-V82 PolarHBondContact O-N 3.26Å; A79-H83 WeakPolarHBondContact O-CB 3.37Å; A79-H83 PolarHBondContact O-CD2 3.39Å; A79-H83 PolarHBondContact O-N 3.27Å |
| 80 | G | 86.7 | Confident | 91 | Very high | 36 Ų | 36 | 77.2 Ų | 77.2 | 37% | 0.371 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | I76 V78 R84 | I76-G80 PolarHBondContact O-N 3.45Å; V78-G80 PolarHBondContact O-N 3.22Å; G80-R84 VanDerWaalsContact O-CA 3.31Å; G80-R84 WeakPolarHBondContact O-CA 3.38Å; G80-R84 WeakPolarHBondContact O-CB 3.48Å; G80-R84 PolarHBondContact O-N 2.95Å |
| 81 | F | 87.3 | Confident | 90.9 | Very high | 144 Ų | 144 | 77 Ų | 77 | 63% | 0.632 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.8 | -45.6 | 175.5 | -174.4 | -98.3 | 0 | 0 | 0 | 112.4 | G77 V78 A79 | G77-F81 WeakPolarHBondContact O-CB 3.43Å; G77-F81 PolarHBondContact O-N 3.05Å; V78-F81 PolarHBondContact O-N 3.46Å; A79-F81 VanDerWaalsContact C-N 3.32Å; A79-F81 PolarHBondContact O-N 2.8Å |
| 82 | V | 92.5 | Very high | 90.9 | Very high | 98 Ų | 98 | 75.3 Ų | 75.3 | 59% | 0.594 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | -179.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | V78 A79 | V78-V82 HydrophobicContact CG1-CG2 4.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.27Å; V78-V82 PolarHBondContact O-N 2.85Å; A79-V82 PolarHBondContact O-N 3.26Å |
| 83 | H | 91.2 | Very high | 91 | Very high | 93 Ų | 93 | 76.7 Ų | 76.7 | 43% | 0.431 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 27.9 | -176.8 | -61.1 | -77.2 | 0 | 0 | 0 | 113.2 | A79 E85 Q86 A87 | A79-H83 WeakPolarHBondContact O-CB 3.37Å; A79-H83 PolarHBondContact O-CD2 3.39Å; A79-H83 PolarHBondContact O-N 3.27Å; H83-E85 VanDerWaalsContact C-N 3.28Å; H83-E85 PolarHBondContact O-N 3Å; H83-E85 VanDerWaalsContact O-N 3.17Å; H83-Q86 HydrophobicContact CB-CB 4.47Å; H83-Q86 PolarHBondContact ND1-OE1 3.14Å; H83-Q86 VanDerWaalsContact ND1-OE1 3.15Å; H83-Q86 PolarHBondContact O-N 3.29Å; H83-Q86 VanDerWaalsContact O-N 3.08Å; H83-A87 PolarHBondContact O-N 3.19Å |
| 84 | R | 89.2 | Confident | 91 | Very high | 126 Ų | 126 | 78.2 Ų | 78.2 | 48% | 0.475 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55.5 | -36.9 | -173.8 | 71.7 | -173.3 | -169.3 | -157 | -2.8 | 114.6 | G80 R88 | G80-R84 VanDerWaalsContact O-CA 3.31Å; G80-R84 WeakPolarHBondContact O-CA 3.38Å; G80-R84 WeakPolarHBondContact O-CB 3.48Å; G80-R84 PolarHBondContact O-N 2.95Å; R84-R88 WeakPolarHBondContact O-CB 3.31Å; R84-R88 PolarHBondContact O-N 3.2Å |
| 85 | E | 91.7 | Very high | 91.1 | Very high | 107 Ų | 107 | 74.2 Ų | 74.2 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.5 | -37.1 | -179.6 | -57 | -52.6 | 147.3 | 0 | 0 | 111.6 | H83 R88 A89 | H83-E85 VanDerWaalsContact C-N 3.28Å; H83-E85 PolarHBondContact O-N 3Å; H83-E85 VanDerWaalsContact O-N 3.17Å; E85-R88 PolarHBondContact O-N 3.02Å; E85-R88 IonicContact OE2-NE 2.9Å; E85-A89 PolarHBondContact O-N 3.41Å |
| 86 | Q | 92 | Very high | 91.2 | Very high | 120 Ų | 120 | 76.2 Ų | 76.2 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.3 | -43.5 | 174.8 | -67.9 | 173.6 | -6.8 | 0 | 0 | 110.6 | H83 R88 A89 I90 | H83-Q86 HydrophobicContact CB-CB 4.47Å; H83-Q86 PolarHBondContact ND1-OE1 3.14Å; H83-Q86 VanDerWaalsContact ND1-OE1 3.15Å; H83-Q86 PolarHBondContact O-N 3.29Å; H83-Q86 VanDerWaalsContact O-N 3.08Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 3.36Å; Q86-A89 PolarHBondContact O-N 2.9Å; Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 3.37Å |
| 87 | A | 87.3 | Confident | 91.3 | Very high | 32 Ų | 32 | 75.9 Ų | 75.9 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | H83 I90 I91 | H83-A87 PolarHBondContact O-N 3.19Å; A87-I90 PolarHBondContact O-N 3.34Å; A87-I91 WeakPolarHBondContact O-CD1 3.12Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.35Å; A87-I91 PolarHBondContact O-N 3.01Å |
| 88 | R | 91.6 | Very high | 91.4 | Very high | 49 Ų | 49 | 74.5 Ų | 74.5 | 19% | 0.185 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.1 | -50.5 | 173.4 | -170.2 | -172 | -57.4 | -90 | -1.8 | 110.9 | R84 E85 Q86 I90 I91 H92 D162 | R84-R88 WeakPolarHBondContact O-CB 3.31Å; R84-R88 PolarHBondContact O-N 3.2Å; E85-R88 PolarHBondContact O-N 3.02Å; E85-R88 IonicContact OE2-NE 2.9Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 3.36Å; R88-I90 VanDerWaalsContact C-N 3.34Å; R88-I90 PolarHBondContact O-N 3.07Å; R88-I91 PolarHBondContact O-N 3.03Å; R88-H92 WeakPolarHBondContact CG-NE2 3.29Å; R88-H92 PolarHBondContact O-CD2 3.38Å; R88-H92 PolarHBondContact O-N 2.99Å; R88-D162 WeakPolarHBondContact CD-OD1 3.37Å; R88-D162 IonicContact CZ-OD1 3.92Å; R88-D162 IonicContact NE-OD1 2.63Å; R88-D162 IonicContact NH1-OD1 3.66Å; R88-D162 PolarHBondContact NH1-OD1 2.96Å |
| 89 | A | 94.4 | Very high | 91.3 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.4 | -46.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E85 Q86 I91 H92 E93 | E85-A89 PolarHBondContact O-N 3.41Å; Q86-A89 PolarHBondContact O-N 2.9Å; A89-I91 PolarHBondContact O-N 3.03Å; A89-H92 PolarHBondContact O-N 3.49Å; A89-E93 PolarHBondContact O-N 3.49Å |
| 90 | I | 90.8 | Very high | 91.3 | Very high | 103 Ų | 103 | 74.2 Ų | 74.2 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 177.7 | -66.2 | 164.2 | 0 | 0 | 0 | 110.6 | Q86 A87 R88 H92 E93 T94 | Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 3.37Å; A87-I90 PolarHBondContact O-N 3.34Å; R88-I90 VanDerWaalsContact C-N 3.34Å; R88-I90 PolarHBondContact O-N 3.07Å; I90-H92 VanDerWaalsContact C-N 3.29Å; I90-H92 PolarHBondContact O-N 3.21Å; I90-E93 PolarHBondContact O-N 3.06Å; I90-T94 WeakPolarHBondContact O-CB 3.36Å; I90-T94 PolarHBondContact O-N 3.3Å; I90-T94 PolarHBondContact O-OG1 2.85Å |
| 91 | I | 91.2 | Very high | 91.4 | Very high | 55 Ų | 55 | 74.3 Ų | 74.3 | 28% | 0.282 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 179.6 | -64.3 | 161.4 | 0 | 0 | 0 | 110.9 | A87 R88 A89 T94 L95 I161 | A87-I91 WeakPolarHBondContact O-CD1 3.12Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.35Å; A87-I91 PolarHBondContact O-N 3.01Å; R88-I91 PolarHBondContact O-N 3.03Å; A89-I91 PolarHBondContact O-N 3.03Å; I91-T94 PolarHBondContact O-N 2.88Å; I91-L95 HydrophobicContact CG2-CD1 4.12Å; I91-L95 HydrophobicContact CG2-CG 4.3Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.35Å; I91-L95 PolarHBondContact O-N 2.94Å; I91-I161 HydrophobicContact CG2-CD1 4.17Å; I91-I161 HydrophobicContact CG2-CG2 3.83Å |
| 92 | H | 95.8 | Very high | 91.3 | Very high | 23 Ų | 23 | 68 Ų | 68 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 179.5 | -75.9 | -125 | 0 | 0 | 0 | 112.7 | R88 A89 I90 K96 Y124 K158 D162 | R88-H92 WeakPolarHBondContact CG-NE2 3.29Å; R88-H92 PolarHBondContact O-CD2 3.38Å; R88-H92 PolarHBondContact O-N 2.99Å; A89-H92 PolarHBondContact O-N 3.49Å; I90-H92 VanDerWaalsContact C-N 3.29Å; I90-H92 PolarHBondContact O-N 3.21Å; H92-K96 WeakPolarHBondContact O-CG 3.44Å; H92-K96 PolarHBondContact O-N 2.92Å; H92-Y124 HydrophobicContact CB-CE2 4.04Å; H92-Y124 AromaticContact ND1-CE2 3.91Å; H92-Y124 AromaticContact ND1-CZ 3.91Å; H92-Y124 PolarHBondContact ND1-OH 2.89Å; H92-Y124 VanDerWaalsContact ND1-OH 3.1Å; H92-Y124 WeakPolarHBondContact O-CE2 3.28Å; H92-K158 WeakPolarHBondContact CE1-CE 3.41Å; H92-K158 WeakPolarHBondContact CE1-CG 3.06Å; H92-K158 WeakPolarHBondContact ND1-CG 3.49Å; H92-D162 IonicContact CE1-OD1 2.7Å; H92-D162 PolarHBondContact CE1-OD1 3.28Å; H92-D162 IonicContact CE1-OD2 3.49Å; H92-D162 PolarHBondContact CE1-OD2 3.31Å; H92-D162 VanDerWaalsContact CE1-OD2 3.26Å; H92-D162 IonicContact NE2-OD1 3.34Å; H92-D162 PolarHBondContact NE2-OD1 3.14Å; H92-D162 IonicContact NE2-OD2 3.36Å |
| 93 | E | 94.5 | Very high | 91 | Very high | 120 Ų | 120 | 68.4 Ų | 68.4 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.3 | -50.1 | 174.2 | -175 | 168.5 | -153.7 | 0 | 0 | 110.3 | A89 I90 L95 K96 E97 | A89-E93 PolarHBondContact O-N 3.49Å; I90-E93 PolarHBondContact O-N 3.06Å; E93-L95 PolarHBondContact O-N 3.04Å; E93-K96 WeakPolarHBondContact O-CB 3.25Å; E93-K96 PolarHBondContact O-N 3.42Å; E93-K96 VanDerWaalsContact O-N 3.09Å; E93-E97 WeakPolarHBondContact O-CG 3.42Å; E93-E97 PolarHBondContact O-N 3.45Å |
| 94 | T | 90.2 | Very high | 90.8 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55 | -48.9 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | I90 I91 K96 E97 G98 W111 | I90-T94 WeakPolarHBondContact O-CB 3.36Å; I90-T94 PolarHBondContact O-N 3.3Å; I90-T94 PolarHBondContact O-OG1 2.85Å; I91-T94 PolarHBondContact O-N 2.88Å; T94-K96 VanDerWaalsContact C-N 3.29Å; T94-K96 PolarHBondContact O-N 3.21Å; T94-E97 WeakPolarHBondContact O-CB 3.35Å; T94-E97 PolarHBondContact O-N 3.41Å; T94-G98 PolarHBondContact O-N 3.47Å; T94-W111 HydrophobicContact CG2-CH2 3.57Å; T94-W111 HydrophobicContact CG2-CZ2 4.32Å; T94-W111 HydrophobicContact CG2-CZ3 3.99Å; T94-W111 VanDerWaalsContact O-CH2 3.23Å; T94-W111 WeakPolarHBondContact O-CH2 3.35Å |
| 95 | L | 93.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 179 | -70.9 | 170.3 | 0 | 0 | 0 | 113 | I91 E93 G98 V99 M112 I115 Y124 C157 I161 | I91-L95 HydrophobicContact CG2-CD1 4.12Å; I91-L95 HydrophobicContact CG2-CG 4.3Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.35Å; I91-L95 PolarHBondContact O-N 2.94Å; E93-L95 PolarHBondContact O-N 3.04Å; L95-G98 PolarHBondContact O-N 3.21Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 3.48Å; L95-V99 VanDerWaalsContact O-N 3.13Å; L95-M112 HydrophobicContact CD2-CE 4.1Å; L95-M112 HydrophobicContact CD2-SD 4.29Å; L95-I115 HydrophobicContact CD2-CD1 4.14Å; L95-I115 HydrophobicContact CD2-CG2 4.1Å; L95-Y124 HydrophobicContact CB-CD2 3.69Å; L95-Y124 HydrophobicContact CB-CE2 4.34Å; L95-Y124 HydrophobicContact CD1-CD2 4.28Å; L95-C157 HydrophobicContact CD1-CB 4.38Å; L95-C157 HydrophobicContact CD2-CB 4.04Å; L95-I161 HydrophobicContact CD1-CD1 3.66Å; L95-I161 HydrophobicContact CD2-CD1 3.87Å; L95-I161 HydrophobicContact CG-CD1 4.21Å |
| 96 | K | 95 | Very high | 89.3 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.3 | -46.4 | 176.1 | -71.4 | 175.8 | -175.9 | 178.1 | 0 | 111.3 | H92 E93 T94 G98 V99 E100 Y124 | H92-K96 WeakPolarHBondContact O-CG 3.44Å; H92-K96 PolarHBondContact O-N 2.92Å; E93-K96 WeakPolarHBondContact O-CB 3.25Å; E93-K96 PolarHBondContact O-N 3.42Å; E93-K96 VanDerWaalsContact O-N 3.09Å; T94-K96 VanDerWaalsContact C-N 3.29Å; T94-K96 PolarHBondContact O-N 3.21Å; K96-G98 PolarHBondContact O-N 2.95Å; K96-V99 PolarHBondContact O-N 3.46Å; K96-V99 VanDerWaalsContact O-N 3.14Å; K96-E100 PolarHBondContact O-N 2.88Å; K96-Y124 VanDerWaalsContact CE-CZ 3.42Å; K96-Y124 HydrophobicContact CG-CD1 4.07Å; K96-Y124 HydrophobicContact CG-CD2 3.76Å; K96-Y124 HydrophobicContact CG-CE1 4.2Å; K96-Y124 HydrophobicContact CG-CE2 3.87Å; K96-Y124 HydrophobicContact CG-CG 3.86Å |
| 97 | E | 91.3 | Very high | 88 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.4 | -38.2 | 174.7 | -68.7 | 178.8 | 163.1 | 0 | 0 | 111.2 | E93 T94 E100 D101 | E93-E97 WeakPolarHBondContact O-CG 3.42Å; E93-E97 PolarHBondContact O-N 3.45Å; T94-E97 WeakPolarHBondContact O-CB 3.35Å; T94-E97 PolarHBondContact O-N 3.41Å; E97-E100 PolarHBondContact O-N 3.49Å; E97-D101 VanDerWaalsContact O-CB 3.3Å; E97-D101 WeakPolarHBondContact O-CB 3.09Å; E97-D101 PolarHBondContact O-N 2.91Å |
| 98 | G | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T94 L95 K96 W102 W111 | T94-G98 PolarHBondContact O-N 3.47Å; L95-G98 PolarHBondContact O-N 3.21Å; K96-G98 PolarHBondContact O-N 2.95Å; G98-W102 VanDerWaalsContact O-CB 3.24Å; G98-W102 WeakPolarHBondContact O-CB 3.29Å; G98-W102 PolarHBondContact O-N 3Å; G98-W111 VanDerWaalsContact CA-CH2 3.45Å |
| 99 | V | 91.3 | Very high | 86.4 | Confident | 8 Ų | 8 | 69 Ų | 69 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 172.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L95 K96 K103 M112 D129 Y130 | L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 3.48Å; L95-V99 VanDerWaalsContact O-N 3.13Å; K96-V99 PolarHBondContact O-N 3.46Å; K96-V99 VanDerWaalsContact O-N 3.14Å; V99-K103 WeakPolarHBondContact O-CG 3.46Å; V99-K103 PolarHBondContact O-N 3.43Å; V99-K103 VanDerWaalsContact O-N 3.11Å; V99-M112 HydrophobicContact CG2-CE 3.92Å; V99-D129 HydrophobicContact CG1-CB 3.99Å; V99-Y130 HydrophobicContact CB-CE1 4.34Å; V99-Y130 HydrophobicContact CG1-CD1 4.31Å; V99-Y130 HydrophobicContact CG1-CE1 3.84Å; V99-Y130 HydrophobicContact CG2-CE1 4.44Å |
| 100 | E | 90.5 | Very high | 85.6 | Confident | 121 Ų | 121 | 67 Ų | 67 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.6 | -44.9 | 178.5 | -70.2 | -178.7 | -177.6 | 0 | 0 | 112.4 | K96 E97 W102 K103 N104 | K96-E100 PolarHBondContact O-N 2.88Å; E97-E100 PolarHBondContact O-N 3.49Å; E100-W102 VanDerWaalsContact C-N 3.32Å; E100-W102 PolarHBondContact O-N 3.47Å; E100-K103 PolarHBondContact O-N 2.87Å; E100-N104 PolarHBondContact O-N 3.43Å; E100-N104 PolarHBondContact O-ND2 3.2Å |
| 101 | D | 87.4 | Confident | 85.1 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 174.7 | -177.3 | 57.7 | 0 | 0 | 0 | 111.1 | E97 K103 N104 S105 R110 | E97-D101 VanDerWaalsContact O-CB 3.3Å; E97-D101 WeakPolarHBondContact O-CB 3.09Å; E97-D101 PolarHBondContact O-N 2.91Å; D101-K103 PolarHBondContact O-N 3.29Å; D101-N104 PolarHBondContact O-N 3.12Å; D101-N104 VanDerWaalsContact O-N 3.17Å; D101-S105 WeakPolarHBondContact O-CB 3.49Å; D101-S105 PolarHBondContact O-N 2.91Å; D101-S105 VanDerWaalsContact O-N 3.1Å; D101-R110 WeakPolarHBondContact OD2-CD 3.08Å |
| 102 | W | 86.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 177.4 | -172.2 | 99.5 | 0 | 0 | 0 | 112.8 | G98 E100 N104 S105 D113 Y130 A133 V135 | G98-W102 VanDerWaalsContact O-CB 3.24Å; G98-W102 WeakPolarHBondContact O-CB 3.29Å; G98-W102 PolarHBondContact O-N 3Å; E100-W102 VanDerWaalsContact C-N 3.32Å; E100-W102 PolarHBondContact O-N 3.47Å; W102-N104 PolarHBondContact O-N 3.34Å; W102-S105 PolarHBondContact O-N 3.44Å; W102-S105 PolarHBondContact O-OG 3.18Å; W102-D113 PolarHBondContact NE1-OD1 2.88Å; W102-Y130 HydrophobicContact CB-CE1 4.01Å; W102-Y130 AromaticContact CD2-CD1 3.94Å; W102-Y130 HydrophobicContact CD2-CD1 3.94Å; W102-Y130 AromaticContact CD2-CE1 3.58Å; W102-Y130 HydrophobicContact CD2-CE1 3.58Å; W102-Y130 AromaticContact CE3-CD1 3.18Å; W102-Y130 HydrophobicContact CE3-CD1 3.18Å; W102-Y130 AromaticContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CG 4.15Å; W102-Y130 AromaticContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CH2-CD1 4.41Å; W102-Y130 AromaticContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CD1 3.46Å; W102-Y130 VanDerWaalsContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CE1 4.02Å; W102-Y130 HydrophobicContact CZ3-CG 4.04Å; W102-A133 HydrophobicContact CH2-CB 4.16Å; W102-A133 HydrophobicContact CZ3-CB 4.12Å; W102-V135 HydrophobicContact CH2-CB 4.18Å; W102-V135 HydrophobicContact CH2-CG1 4.43Å; W102-V135 HydrophobicContact CH2-CG2 3.34Å; W102-V135 HydrophobicContact CZ2-CB 3.92Å; W102-V135 HydrophobicContact CZ2-CG1 3.72Å; W102-V135 HydrophobicContact CZ2-CG2 3.52Å; W102-V135 HydrophobicContact CZ3-CG2 3.89Å |
| 103 | K | 86.6 | Confident | 84.5 | Confident | 106 Ų | 106 | 63.6 Ų | 63.6 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 176.4 | -76.5 | 174 | 179.9 | 178 | 0 | 112.6 | V99 E100 D101 D129 Y130 | V99-K103 WeakPolarHBondContact O-CG 3.46Å; V99-K103 PolarHBondContact O-N 3.43Å; V99-K103 VanDerWaalsContact O-N 3.11Å; E100-K103 PolarHBondContact O-N 2.87Å; D101-K103 PolarHBondContact O-N 3.29Å; K103-D129 WeakPolarHBondContact CE-O 3.23Å; K103-D129 PolarHBondContact NZ-O 3.07Å; K103-Y130 HydrophobicContact CG-CD1 4.27Å |
| 104 | N | 86.4 | Confident | 84 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -83.5 | -14.9 | -179.9 | -66.5 | -31.5 | 0 | 0 | 0 | 112.8 | E100 D101 W102 N106 | E100-N104 PolarHBondContact O-N 3.43Å; E100-N104 PolarHBondContact O-ND2 3.2Å; D101-N104 PolarHBondContact O-N 3.12Å; D101-N104 VanDerWaalsContact O-N 3.17Å; W102-N104 PolarHBondContact O-N 3.34Å; N104-N106 VanDerWaalsContact C-N 3.35Å; N104-N106 PolarHBondContact O-N 3.49Å |
| 105 | S | 76.3 | Confident | 84 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -88.3 | 12.9 | -170.8 | 73.7 | 0 | 0 | 0 | 0 | 115.2 | D101 W102 N107 E108 R110 | D101-S105 WeakPolarHBondContact O-CB 3.49Å; D101-S105 PolarHBondContact O-N 2.91Å; D101-S105 VanDerWaalsContact O-N 3.1Å; W102-S105 PolarHBondContact O-N 3.44Å; W102-S105 PolarHBondContact O-OG 3.18Å; S105-N107 PolarHBondContact O-N 3.39Å; S105-N107 VanDerWaalsContact O-N 3.13Å; S105-E108 VanDerWaalsContact O-CB 3.29Å; S105-E108 WeakPolarHBondContact O-CB 3.33Å; S105-E108 WeakPolarHBondContact O-CG 2.97Å; S105-E108 PolarHBondContact O-N 2.69Å; S105-R110 WeakPolarHBondContact OG-CG 3.23Å |
| 106 | N | 72.5 | Confident | 83.8 | Confident | 145 Ų | 145 | 59.1 Ų | 59.1 | 78% | 0.775 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.8 | 52.2 | 173.4 | -77.8 | -12 | 0 | 0 | 0 | 114.8 | N104 E108 | N104-N106 VanDerWaalsContact C-N 3.35Å; N104-N106 PolarHBondContact O-N 3.49Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 2.95Å |
| 107 | N | 66.4 | Low | 83.5 | Confident | 125 Ų | 125 | 58.7 Ų | 58.7 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 15.1 | -178.9 | -57.3 | -31.2 | 0 | 0 | 0 | 116.5 | S105 | S105-N107 PolarHBondContact O-N 3.39Å; S105-N107 VanDerWaalsContact O-N 3.13Å |
| 108 | E | 72.1 | Confident | 83.3 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | trans | -71.5 | 144.6 | 168 | -69.1 | -179.5 | -169.4 | 0 | 0 | 111.9 | S105 N106 R110 | S105-E108 VanDerWaalsContact O-CB 3.29Å; S105-E108 WeakPolarHBondContact O-CB 3.33Å; S105-E108 WeakPolarHBondContact O-CG 2.97Å; S105-E108 PolarHBondContact O-N 2.69Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 2.95Å; E108-R110 PolarHBondContact O-N 2.79Å; E108-R110 IonicContact OE2-CZ 3.65Å; E108-R110 IonicContact OE2-NH1 3.9Å; E108-R110 PolarHBondContact OE2-NH1 2.91Å; E108-R110 IonicContact OE2-NH2 3.26Å; E108-R110 PolarHBondContact OE2-NH2 3.5Å | ||
| 109 | V | 71.3 | Confident | 83.3 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | trans | -67.1 | 128.7 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | R18 D113 | R18-V109 VanDerWaalsContact NH1-CG2 3.29Å; V109-D113 WeakPolarHBondContact CA-OD2 3.32Å; V109-D113 HydrophobicContact CG1-CB 4.35Å | ||
| 110 | R | 78.7 | Confident | 83.3 | Confident | 18 Ų | 18 | 69 Ų | 69 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | trans | -123.5 | 169.4 | -179.2 | -62.8 | -66.8 | 87.8 | 149.1 | 11.2 | 111.1 | D101 S105 E108 M112 D113 | D101-R110 WeakPolarHBondContact OD2-CD 3.08Å; S105-R110 WeakPolarHBondContact OG-CG 3.23Å; E108-R110 PolarHBondContact O-N 2.79Å; E108-R110 IonicContact OE2-CZ 3.65Å; E108-R110 IonicContact OE2-NH1 3.9Å; E108-R110 PolarHBondContact OE2-NH1 2.91Å; E108-R110 IonicContact OE2-NH2 3.26Å; E108-R110 PolarHBondContact OE2-NH2 3.5Å; R110-M112 PolarHBondContact O-N 3.39Å; R110-D113 PolarHBondContact N-OD2 2.97Å; R110-D113 WeakPolarHBondContact O-CB 3.21Å; R110-D113 PolarHBondContact O-N 3.35Å | ||
| 111 | W | 80.8 | Confident | 83.4 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.2 | -28.6 | 175 | 63.7 | -89.6 | 0 | 0 | 0 | 112.8 | T94 G98 D113 A114 I115 | T94-W111 HydrophobicContact CG2-CH2 3.57Å; T94-W111 HydrophobicContact CG2-CZ2 4.32Å; T94-W111 HydrophobicContact CG2-CZ3 3.99Å; T94-W111 VanDerWaalsContact O-CH2 3.23Å; T94-W111 WeakPolarHBondContact O-CH2 3.35Å; G98-W111 VanDerWaalsContact CA-CH2 3.45Å; W111-D113 VanDerWaalsContact C-N 3.27Å; W111-D113 PolarHBondContact O-N 3.34Å; W111-A114 WeakPolarHBondContact O-CB 3.11Å; W111-A114 PolarHBondContact O-N 3.42Å; W111-A114 VanDerWaalsContact O-N 3.15Å; W111-I115 HydrophobicContact CE3-CD1 3.52Å; W111-I115 HydrophobicContact CE3-CG1 4.31Å; W111-I115 HydrophobicContact CZ3-CD1 3.27Å; W111-I115 HydrophobicContact CZ3-CG1 4.46Å; W111-I115 PolarHBondContact O-N 2.79Å |
| 112 | M | 86.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -31.8 | 175 | -165 | 65.2 | -175.5 | 0 | 0 | 112.3 | L95 V99 R110 A114 I115 H116 Y130 C157 | L95-M112 HydrophobicContact CD2-CE 4.1Å; L95-M112 HydrophobicContact CD2-SD 4.29Å; V99-M112 HydrophobicContact CG2-CE 3.92Å; R110-M112 PolarHBondContact O-N 3.39Å; M112-A114 VanDerWaalsContact C-N 3.29Å; M112-A114 PolarHBondContact O-N 2.96Å; M112-I115 WeakPolarHBondContact O-CB 3.49Å; M112-I115 PolarHBondContact O-N 2.83Å; M112-I115 VanDerWaalsContact O-N 3.16Å; M112-I115 HydrophobicContact SD-CB 4.44Å; M112-I115 HydrophobicContact SD-CD1 4.35Å; M112-H116 VanDerWaalsContact O-CG 3.29Å; M112-H116 PolarHBondContact O-N 3.32Å; M112-Y130 WeakPolarHBondContact CG-OH 3.48Å; M112-C157 HydrophobicContact CE-CB 4.46Å |
| 113 | D | 87.1 | Confident | 84 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | 175.1 | -63.9 | -51.1 | 0 | 0 | 0 | 111.8 | W102 V109 R110 W111 I115 H116 V117 S137 | W102-D113 PolarHBondContact NE1-OD1 2.88Å; V109-D113 WeakPolarHBondContact CA-OD2 3.32Å; V109-D113 HydrophobicContact CG1-CB 4.35Å; R110-D113 PolarHBondContact N-OD2 2.97Å; R110-D113 WeakPolarHBondContact O-CB 3.21Å; R110-D113 PolarHBondContact O-N 3.35Å; W111-D113 VanDerWaalsContact C-N 3.27Å; W111-D113 PolarHBondContact O-N 3.34Å; D113-I115 VanDerWaalsContact C-N 3.35Å; D113-H116 PolarHBondContact O-N 2.91Å; D113-V117 WeakPolarHBondContact O-CG2 3.36Å; D113-V117 PolarHBondContact O-N 3.37Å; D113-S137 VanDerWaalsContact OD1-CB 3.23Å; D113-S137 WeakPolarHBondContact OD1-CB 3.45Å; D113-S137 PolarHBondContact OD1-OG 2.86Å |
| 114 | A | 84.7 | Confident | 84.5 | Confident | 52 Ų | 52 | 57 Ų | 57 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | W111 M112 V117 M118 | W111-A114 WeakPolarHBondContact O-CB 3.11Å; W111-A114 PolarHBondContact O-N 3.42Å; W111-A114 VanDerWaalsContact O-N 3.15Å; M112-A114 VanDerWaalsContact C-N 3.29Å; M112-A114 PolarHBondContact O-N 2.96Å; A114-V117 PolarHBondContact O-N 3.09Å; A114-M118 VanDerWaalsContact O-CB 3.22Å; A114-M118 WeakPolarHBondContact O-CB 3.37Å; A114-M118 WeakPolarHBondContact O-CG 3.31Å; A114-M118 PolarHBondContact O-N 3.37Å |
| 115 | I | 88.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.6 | -68.1 | -177.1 | 0 | 0 | 0 | 111 | L95 W111 M112 D113 V117 M118 F119 C157 | L95-I115 HydrophobicContact CD2-CD1 4.14Å; L95-I115 HydrophobicContact CD2-CG2 4.1Å; W111-I115 HydrophobicContact CE3-CD1 3.52Å; W111-I115 HydrophobicContact CE3-CG1 4.31Å; W111-I115 HydrophobicContact CZ3-CD1 3.27Å; W111-I115 HydrophobicContact CZ3-CG1 4.46Å; W111-I115 PolarHBondContact O-N 2.79Å; M112-I115 WeakPolarHBondContact O-CB 3.49Å; M112-I115 PolarHBondContact O-N 2.83Å; M112-I115 VanDerWaalsContact O-N 3.16Å; M112-I115 HydrophobicContact SD-CB 4.44Å; M112-I115 HydrophobicContact SD-CD1 4.35Å; D113-I115 VanDerWaalsContact C-N 3.35Å; I115-V117 VanDerWaalsContact C-N 3.31Å; I115-V117 PolarHBondContact O-N 2.83Å; I115-M118 PolarHBondContact O-N 2.95Å; I115-F119 HydrophobicContact CG2-CD2 3.98Å; I115-F119 PolarHBondContact O-N 3.34Å; I115-C157 HydrophobicContact CG2-CB 4.36Å |
| 116 | H | 90.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -47 | 177.3 | -64.8 | 160.2 | 0 | 0 | 0 | 111.9 | M112 D113 Q120 C121 G123 Y130 S137 C138 | M112-H116 VanDerWaalsContact O-CG 3.29Å; M112-H116 PolarHBondContact O-N 3.32Å; D113-H116 PolarHBondContact O-N 2.91Å; H116-Q120 WeakPolarHBondContact O-CA 3.47Å; H116-Q120 PolarHBondContact O-N 3.4Å; H116-C121 WeakPolarHBondContact CA-O 3.49Å; H116-C121 VanDerWaalsContact CB-O 3.28Å; H116-C121 WeakPolarHBondContact CB-O 3.23Å; H116-C121 PolarHBondContact CD2-O 2.63Å; H116-C121 PolarHBondContact O-N 2.91Å; H116-C121 VanDerWaalsContact O-N 3.15Å; H116-G123 PolarHBondContact NE2-N 3.38Å; H116-Y130 AromaticContact CE1-CE2 3.69Å; H116-Y130 AromaticContact CE1-CZ 3.73Å; H116-Y130 PolarHBondContact CE1-OH 2.99Å; H116-Y130 AromaticContact NE2-CE2 3.91Å; H116-Y130 PolarHBondContact NE2-OH 3.41Å; H116-S137 WeakPolarHBondContact CB-O 3.49Å; H116-S137 PolarHBondContact ND1-OG 3.46Å; H116-C138 PolarHBondContact ND1-SG 2.78Å |
| 117 | V | 87.8 | Confident | 86.4 | Confident | 91 Ų | 91 | 50 Ų | 50 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71.5 | -44.2 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | D113 A114 I115 | D113-V117 WeakPolarHBondContact O-CG2 3.36Å; D113-V117 PolarHBondContact O-N 3.37Å; A114-V117 PolarHBondContact O-N 3.09Å; I115-V117 VanDerWaalsContact C-N 3.31Å; I115-V117 PolarHBondContact O-N 2.83Å |
| 118 | M | 87.2 | Confident | 87.5 | Confident | 151 Ų | 151 | 49.4 Ų | 49.4 | 74% | 0.744 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.8 | -40.2 | -175.5 | -70.7 | -70.5 | -175 | 0 | 0 | 112.7 | A114 I115 | A114-M118 VanDerWaalsContact O-CB 3.22Å; A114-M118 WeakPolarHBondContact O-CB 3.37Å; A114-M118 WeakPolarHBondContact O-CG 3.31Å; A114-M118 PolarHBondContact O-N 3.37Å; I115-M118 PolarHBondContact O-N 2.95Å |
| 119 | F | 89.9 | Confident | 88.5 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -100.5 | -3.5 | -178.1 | -68.1 | -75.7 | 0 | 0 | 0 | 113.6 | I115 C121 R160 I164 | I115-F119 HydrophobicContact CG2-CD2 3.98Å; I115-F119 PolarHBondContact O-N 3.34Å; F119-C121 VanDerWaalsContact C-N 3.34Å; F119-R160 HydrophobicContact CB-CG 4.22Å; F119-R160 WeakPolarHBondContact O-CG 3.41Å; F119-R160 PolarHBondContact O-NE 3.29Å; F119-I164 HydrophobicContact CD1-CD1 3.54Å; F119-I164 HydrophobicContact CE1-CD1 3.65Å |
| 120 | Q | 90.5 | Very high | 89.3 | Confident | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 50.5 | -177 | -59.6 | -178.3 | -48.4 | 0 | 0 | 111.4 | H116 F153 | H116-Q120 WeakPolarHBondContact O-CA 3.47Å; H116-Q120 PolarHBondContact O-N 3.4Å; Q120-F153 VanDerWaalsContact C-CG 3.47Å; Q120-F153 HydrophobicContact CB-CD1 3.87Å; Q120-F153 HydrophobicContact CB-CE1 3.53Å; Q120-F153 HydrophobicContact CB-CE2 4.4Å; Q120-F153 HydrophobicContact CB-CG 4.45Å; Q120-F153 HydrophobicContact CB-CZ 3.85Å; Q120-F153 HydrophobicContact CG-CE1 3.9Å; Q120-F153 HydrophobicContact CG-CZ 3.9Å |
| 121 | C | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -133.4 | 166.3 | -177.2 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | H116 F119 T155 C157 R160 | H116-C121 WeakPolarHBondContact CA-O 3.49Å; H116-C121 VanDerWaalsContact CB-O 3.28Å; H116-C121 WeakPolarHBondContact CB-O 3.23Å; H116-C121 PolarHBondContact CD2-O 2.63Å; H116-C121 PolarHBondContact O-N 2.91Å; H116-C121 VanDerWaalsContact O-N 3.15Å; F119-C121 VanDerWaalsContact C-N 3.34Å; C121-T155 CarbonylContact C-O 3.59Å; C121-T155 VanDerWaalsContact CA-O 3.31Å; C121-T155 WeakPolarHBondContact CA-O 3.39Å; C121-T155 WeakPolarHBondContact CB-O 3.27Å; C121-C157 HydrophobicContact CB-CB 3.88Å; C121-C157 WeakPolarHBondContact CB-SG 3.42Å; C121-C157 WeakPolarHBondContact SG-CA 3.25Å; C121-C157 WeakPolarHBondContact SG-CB 3.3Å; C121-C157 CovalentContact SG-SG 2.04Å; C121-C157 PolarHBondContact SG-SG 3.35Å; C121-R160 HydrophobicContact CB-CB 4.1Å; C121-R160 HydrophobicContact CB-CG 4.4Å | ||
| 122 | C | 92.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | trans | -137.2 | 128.5 | 176.7 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | G126 P127 C138 F153 T155 | C122-G126 CarbonylContact O-C 3.05Å; C122-G126 WeakPolarHBondContact O-CA 3.33Å; C122-G126 PolarHBondContact O-N 3.08Å; C122-P127 HydrophobicContact CB-CB 4.26Å; C122-C138 VanDerWaalsContact CA-SG 3.53Å; C122-C138 HydrophobicContact CB-CB 3.62Å; C122-C138 WeakPolarHBondContact CB-SG 3.38Å; C122-C138 WeakPolarHBondContact SG-CB 3.22Å; C122-C138 CovalentContact SG-SG 2.03Å; C122-C138 PolarHBondContact SG-SG 2.83Å; C122-F153 HydrophobicContact CB-CB 4.2Å; C122-F153 WeakPolarHBondContact CB-O 3.25Å; C122-T155 PolarHBondContact N-O 3.36Å | ||
| 123 | G | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 65.1 | -171.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H116 C157 | H116-G123 PolarHBondContact NE2-N 3.38Å; G123-C157 WeakPolarHBondContact O-CB 3.35Å; G123-C157 PolarHBondContact O-N 2.95Å; G123-C157 PolarHBondContact O-SG 3.49Å |
| 124 | Y | 96.5 | Very high | 89 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -78.6 | -61.8 | 177.7 | 173.8 | -104 | 0 | 0 | 0 | 110.4 | H92 L95 K96 D129 G156 C157 K158 | H92-Y124 HydrophobicContact CB-CE2 4.04Å; H92-Y124 AromaticContact ND1-CE2 3.91Å; H92-Y124 AromaticContact ND1-CZ 3.91Å; H92-Y124 PolarHBondContact ND1-OH 2.89Å; H92-Y124 VanDerWaalsContact ND1-OH 3.1Å; H92-Y124 WeakPolarHBondContact O-CE2 3.28Å; L95-Y124 HydrophobicContact CB-CD2 3.69Å; L95-Y124 HydrophobicContact CB-CE2 4.34Å; L95-Y124 HydrophobicContact CD1-CD2 4.28Å; K96-Y124 VanDerWaalsContact CE-CZ 3.42Å; K96-Y124 HydrophobicContact CG-CD1 4.07Å; K96-Y124 HydrophobicContact CG-CD2 3.76Å; K96-Y124 HydrophobicContact CG-CE1 4.2Å; K96-Y124 HydrophobicContact CG-CE2 3.87Å; K96-Y124 HydrophobicContact CG-CG 3.86Å; Y124-D129 VanDerWaalsContact CA-OD2 3.32Å; Y124-D129 WeakPolarHBondContact CA-OD2 3.47Å; Y124-D129 WeakPolarHBondContact CB-OD2 3.06Å; Y124-D129 PolarHBondContact N-OD2 3.01Å; Y124-G156 CarbonylContact O-C 3.58Å; Y124-G156 WeakPolarHBondContact O-CA 3.02Å; Y124-C157 PolarHBondContact O-N 3.34Å; Y124-K158 HydrophobicContact CD2-CB 3.95Å; Y124-K158 HydrophobicContact CD2-CG 4.42Å; Y124-K158 HydrophobicContact CE1-CD 3.93Å; Y124-K158 HydrophobicContact CE1-CG 4.41Å; Y124-K158 HydrophobicContact CE2-CB 3.79Å; Y124-K158 HydrophobicContact CE2-CD 4.14Å; Y124-K158 HydrophobicContact CE2-CG 3.75Å; Y124-K158 HydrophobicContact CG-CB 4.4Å; Y124-K158 WeakPolarHBondContact O-CB 3.45Å; Y124-K158 PolarHBondContact O-N 2.9Å; Y124-K158 WeakPolarHBondContact OH-CD 3.22Å; Y124-K158 WeakPolarHBondContact OH-CE 3.45Å |
| 125 | N | 95 | Very high | 89 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -90.7 | -23 | 173.9 | -60.4 | -55.1 | 0 | 0 | 0 | 112.7 | D129 G156 | N125-D129 PolarHBondContact N-OD2 3.48Å; N125-G156 VanDerWaalsContact C-CA 3.42Å; N125-G156 WeakPolarHBondContact O-CA 3.13Å |
| 126 | G | 92.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | trans | 163 | -178.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | C122 T128 D129 | C122-G126 CarbonylContact O-C 3.05Å; C122-G126 WeakPolarHBondContact O-CA 3.33Å; C122-G126 PolarHBondContact O-N 3.08Å; G126-T128 PolarHBondContact O-N 2.93Å; G126-T128 VanDerWaalsContact O-N 3.14Å; G126-D129 PolarHBondContact N-OD2 3.19Å; G126-D129 WeakPolarHBondContact O-CB 2.84Å; G126-D129 PolarHBondContact O-N 3.01Å; G126-D129 VanDerWaalsContact O-N 3.1Å | ||
| 127 | P | 88.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 59 Ų | 59 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -61.6 | -23.2 | 179.8 | 24.1 | -33.7 | 0 | 0 | 0 | 113.6 | C122 D129 Y130 Q154 | C122-P127 HydrophobicContact CB-CB 4.26Å; P127-D129 PolarHBondContact O-N 3.34Å; P127-Y130 PolarHBondContact O-N 3.35Å; P127-Q154 WeakPolarHBondContact CD-O 3.5Å |
| 128 | T | 89.4 | Confident | 88.4 | Confident | 112 Ų | 112 | 54.7 Ų | 54.7 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -64 | -20.3 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | G126 Y130 G131 | G126-T128 PolarHBondContact O-N 2.93Å; G126-T128 VanDerWaalsContact O-N 3.14Å; T128-Y130 PolarHBondContact O-N 3.25Å; T128-G131 PolarHBondContact O-N 2.91Å |
| 129 | D | 91.7 | Very high | 88.3 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -60.5 | -29.8 | 176.8 | -69.6 | -29.3 | 0 | 0 | 0 | 111.2 | V99 K103 Y124 N125 G126 P127 G131 | V99-D129 HydrophobicContact CG1-CB 3.99Å; K103-D129 WeakPolarHBondContact CE-O 3.23Å; K103-D129 PolarHBondContact NZ-O 3.07Å; Y124-D129 VanDerWaalsContact CA-OD2 3.32Å; Y124-D129 WeakPolarHBondContact CA-OD2 3.47Å; Y124-D129 WeakPolarHBondContact CB-OD2 3.06Å; Y124-D129 PolarHBondContact N-OD2 3.01Å; N125-D129 PolarHBondContact N-OD2 3.48Å; G126-D129 PolarHBondContact N-OD2 3.19Å; G126-D129 WeakPolarHBondContact O-CB 2.84Å; G126-D129 PolarHBondContact O-N 3.01Å; G126-D129 VanDerWaalsContact O-N 3.1Å; P127-D129 PolarHBondContact O-N 3.34Å; D129-G131 VanDerWaalsContact C-N 3.31Å |
| 130 | Y | 89 | Confident | 87.6 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -86.2 | 2.7 | 176.6 | -60.3 | -66.1 | 0 | 0 | 0 | 113.8 | V99 W102 K103 M112 H116 P127 T128 I132 A133 V135 | V99-Y130 HydrophobicContact CB-CE1 4.34Å; V99-Y130 HydrophobicContact CG1-CD1 4.31Å; V99-Y130 HydrophobicContact CG1-CE1 3.84Å; V99-Y130 HydrophobicContact CG2-CE1 4.44Å; W102-Y130 HydrophobicContact CB-CE1 4.01Å; W102-Y130 AromaticContact CD2-CD1 3.94Å; W102-Y130 HydrophobicContact CD2-CD1 3.94Å; W102-Y130 AromaticContact CD2-CE1 3.58Å; W102-Y130 HydrophobicContact CD2-CE1 3.58Å; W102-Y130 AromaticContact CE3-CD1 3.18Å; W102-Y130 HydrophobicContact CE3-CD1 3.18Å; W102-Y130 AromaticContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CG 4.15Å; W102-Y130 AromaticContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CH2-CD1 4.41Å; W102-Y130 AromaticContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CD1 3.46Å; W102-Y130 VanDerWaalsContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CE1 4.02Å; W102-Y130 HydrophobicContact CZ3-CG 4.04Å; K103-Y130 HydrophobicContact CG-CD1 4.27Å; M112-Y130 WeakPolarHBondContact CG-OH 3.48Å; H116-Y130 AromaticContact CE1-CE2 3.69Å; H116-Y130 AromaticContact CE1-CZ 3.73Å; H116-Y130 PolarHBondContact CE1-OH 2.99Å; H116-Y130 AromaticContact NE2-CE2 3.91Å; H116-Y130 PolarHBondContact NE2-OH 3.41Å; P127-Y130 PolarHBondContact O-N 3.35Å; T128-Y130 PolarHBondContact O-N 3.25Å; Y130-I132 PolarHBondContact O-N 3.09Å; Y130-A133 WeakPolarHBondContact O-CB 3.44Å; Y130-A133 PolarHBondContact O-N 2.9Å; Y130-V135 HydrophobicContact CD1-CG2 4.17Å; Y130-V135 HydrophobicContact CD2-CB 4.47Å; Y130-V135 HydrophobicContact CD2-CG2 3.38Å; Y130-V135 HydrophobicContact CE2-CG2 3.91Å; Y130-V135 HydrophobicContact CG-CG2 3.51Å |
| 131 | G | 85.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 50 Ų | 50 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | -122.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T128 D129 | T128-G131 PolarHBondContact O-N 2.91Å; D129-G131 VanDerWaalsContact C-N 3.31Å |
| 132 | I | 79.9 | Confident | 85.2 | Confident | 181 Ų | 181 | 52 Ų | 52 | 93% | 0.928 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -1.7 | 178.7 | 62.6 | 170.6 | 0 | 0 | 0 | 113 | Y130 K134 | Y130-I132 PolarHBondContact O-N 3.09Å; I132-K134 PolarHBondContact O-N 2.98Å |
| 133 | A | 80.7 | Confident | 84 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | trans | -68.2 | 126.6 | -178 | 0 | 0 | 0 | 0 | 0 | 109.8 | W102 Y130 V135 | W102-A133 HydrophobicContact CH2-CB 4.16Å; W102-A133 HydrophobicContact CZ3-CB 4.12Å; Y130-A133 WeakPolarHBondContact O-CB 3.44Å; Y130-A133 PolarHBondContact O-N 2.9Å; A133-V135 PolarHBondContact O-N 3.26Å | ||
| 134 | K | 80.1 | Confident | 82.8 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | trans | -75.6 | 117.2 | 173.2 | 177.3 | 173.5 | 165.1 | 179.8 | 0 | 108.8 | I132 P136 C144 | I132-K134 PolarHBondContact O-N 2.98Å; K134-P136 WeakPolarHBondContact O-CD 3.39Å; K134-C144 VanDerWaalsContact CE-O 3.25Å; K134-C144 WeakPolarHBondContact CE-O 3.17Å; K134-C144 PolarHBondContact NZ-O 2.79Å | ||
| 135 | V | 84.9 | Confident | 81.2 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | trans | -98.4 | 106.7 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | W102 Y130 A133 S137 C138 | W102-V135 HydrophobicContact CH2-CB 4.18Å; W102-V135 HydrophobicContact CH2-CG1 4.43Å; W102-V135 HydrophobicContact CH2-CG2 3.34Å; W102-V135 HydrophobicContact CZ2-CB 3.92Å; W102-V135 HydrophobicContact CZ2-CG1 3.72Å; W102-V135 HydrophobicContact CZ2-CG2 3.52Å; W102-V135 HydrophobicContact CZ3-CG2 3.89Å; Y130-V135 HydrophobicContact CD1-CG2 4.17Å; Y130-V135 HydrophobicContact CD2-CB 4.47Å; Y130-V135 HydrophobicContact CD2-CG2 3.38Å; Y130-V135 HydrophobicContact CE2-CG2 3.91Å; Y130-V135 HydrophobicContact CG-CG2 3.51Å; A133-V135 PolarHBondContact O-N 3.26Å; V135-S137 VanDerWaalsContact C-N 3.27Å; V135-S137 VanDerWaalsContact CG1-OG 3.25Å; V135-S137 WeakPolarHBondContact CG1-OG 3.46Å; V135-S137 PolarHBondContact O-N 3.19Å; V135-C138 HydrophobicContact CB-CB 4.21Å; V135-C138 HydrophobicContact CG1-CB 4.28Å; V135-C138 WeakPolarHBondContact CG1-SG 3.2Å; V135-C138 PolarHBondContact O-N 3.2Å; V135-C138 VanDerWaalsContact O-N 3.14Å | ||
| 136 | P | 82.9 | Confident | 79.5 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 47% | 0.468 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -62.8 | -31.7 | -174.8 | -23.3 | 34.9 | 0 | 0 | 0 | 113.9 | K134 C138 C139 | K134-P136 WeakPolarHBondContact O-CD 3.39Å; P136-C138 PolarHBondContact O-N 2.78Å; P136-C139 WeakPolarHBondContact O-CB 2.96Å; P136-C139 PolarHBondContact O-N 3.4Å; P136-C139 VanDerWaalsContact O-N 3.16Å |
| 137 | S | 84.7 | Confident | 78 | Confident | 15 Ų | 15 | 74 Ų | 74 | 11% | 0.105 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -70.2 | -16.7 | 178.5 | 56.9 | 0 | 0 | 0 | 0 | 114 | D113 H116 V135 C139 | D113-S137 VanDerWaalsContact OD1-CB 3.23Å; D113-S137 WeakPolarHBondContact OD1-CB 3.45Å; D113-S137 PolarHBondContact OD1-OG 2.86Å; H116-S137 WeakPolarHBondContact CB-O 3.49Å; H116-S137 PolarHBondContact ND1-OG 3.46Å; V135-S137 VanDerWaalsContact C-N 3.27Å; V135-S137 VanDerWaalsContact CG1-OG 3.25Å; V135-S137 WeakPolarHBondContact CG1-OG 3.46Å; V135-S137 PolarHBondContact O-N 3.19Å; S137-C139 VanDerWaalsContact C-N 3.32Å |
| 138 | C | 88.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.014 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -83.8 | -7.5 | 173.2 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | H116 C122 V135 P136 S152 F153 | H116-C138 PolarHBondContact ND1-SG 2.78Å; C122-C138 VanDerWaalsContact CA-SG 3.53Å; C122-C138 HydrophobicContact CB-CB 3.62Å; C122-C138 WeakPolarHBondContact CB-SG 3.38Å; C122-C138 WeakPolarHBondContact SG-CB 3.22Å; C122-C138 CovalentContact SG-SG 2.03Å; C122-C138 PolarHBondContact SG-SG 2.83Å; V135-C138 HydrophobicContact CB-CB 4.21Å; V135-C138 HydrophobicContact CG1-CB 4.28Å; V135-C138 WeakPolarHBondContact CG1-SG 3.2Å; V135-C138 PolarHBondContact O-N 3.2Å; V135-C138 VanDerWaalsContact O-N 3.14Å; P136-C138 PolarHBondContact O-N 2.78Å; C138-S152 WeakPolarHBondContact O-CA 3.18Å; C138-S152 PolarHBondContact O-OG 3.46Å; C138-F153 VanDerWaalsContact O-CD2 3.22Å; C138-F153 WeakPolarHBondContact O-CD2 3.04Å; C138-F153 WeakPolarHBondContact O-CG 3.46Å; C138-F153 PolarHBondContact O-N 2.76Å |
| 139 | C | 85.2 | Confident | 75 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 132.5 | -179 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | P136 S137 N141 G142 C144 | P136-C139 WeakPolarHBondContact O-CB 2.96Å; P136-C139 PolarHBondContact O-N 3.4Å; P136-C139 VanDerWaalsContact O-N 3.16Å; S137-C139 VanDerWaalsContact C-N 3.32Å; C139-N141 PolarHBondContact O-N 3.47Å; C139-G142 PolarHBondContact O-N 2.75Å; C139-C144 VanDerWaalsContact CA-SG 3.54Å; C139-C144 HydrophobicContact CB-CB 4.04Å; C139-C144 WeakPolarHBondContact CB-SG 3.5Å; C139-C144 WeakPolarHBondContact SG-CB 3.32Å; C139-C144 PolarHBondContact SG-N 3.29Å; C139-C144 VanDerWaalsContact SG-N 3.41Å; C139-C144 CovalentContact SG-SG 2.01Å; C139-C144 PolarHBondContact SG-SG 3.27Å |
| 140 | L | 73.9 | Confident | 73.5 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 36% | 0.356 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -60.3 | 132.8 | 166.8 | -76 | 97.9 | 0 | 0 | 0 | 109.1 | G142 L151 F153 | L140-G142 PolarHBondContact O-N 3.45Å; L140-G142 VanDerWaalsContact O-N 3.1Å; L140-L151 HydrophobicContact CB-CD2 4.22Å; L140-L151 HydrophobicContact CB-CG 4.04Å; L140-L151 WeakPolarHBondContact CD1-O 3.46Å; L140-L151 PolarHBondContact N-O 3.1Å; L140-F153 HydrophobicContact CD1-CD1 3.93Å; L140-F153 HydrophobicContact CD1-CE1 3.46Å; L140-F153 VanDerWaalsContact CD1-CE1 3.46Å; L140-F153 HydrophobicContact CD1-CZ 4.12Å; L140-F153 HydrophobicContact CD2-CE1 4.49Å; L140-F153 HydrophobicContact CG-CE1 3.71Å; L140-F153 HydrophobicContact CG-CZ 3.94Å |
| 141 | N | 68.6 | Low | 72.6 | Confident | 159 Ų | 159 | 84.2 Ų | 84.2 | 85% | 0.85 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | 58.4 | 14.7 | -176.5 | -57.6 | -22.1 | 0 | 0 | 0 | 115.7 | C139 E143 | C139-N141 PolarHBondContact O-N 3.47Å; N141-E143 VanDerWaalsContact C-N 3.27Å; N141-E143 PolarHBondContact O-N 3.36Å |
| 142 | G | 66.1 | Low | 72.3 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | 78.9 | -0.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C139 L140 | C139-G142 PolarHBondContact O-N 2.75Å; L140-G142 PolarHBondContact O-N 3.45Å; L140-G142 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 66.8 | Low | 72.6 | Confident | 140 Ų | 140 | 75.4 Ų | 75.4 | 65% | 0.654 | 42% | 0.417 | S | S | * | . | trans | -114.7 | 89.8 | -175.5 | -69.3 | -177.3 | 167.5 | 0 | 0 | 111.9 | N141 | N141-E143 VanDerWaalsContact C-N 3.27Å; N141-E143 PolarHBondContact O-N 3.36Å | ||
| 144 | C | 69.2 | Low | 72.9 | Confident | 21 Ų | 21 | 78.8 Ų | 78.8 | 14% | 0.142 | 43% | 0.426 | C | S | . | . | trans | -89.2 | 104.2 | 159.7 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | K134 C139 | K134-C144 VanDerWaalsContact CE-O 3.25Å; K134-C144 WeakPolarHBondContact CE-O 3.17Å; K134-C144 PolarHBondContact NZ-O 2.79Å; C139-C144 VanDerWaalsContact CA-SG 3.54Å; C139-C144 HydrophobicContact CB-CB 4.04Å; C139-C144 WeakPolarHBondContact CB-SG 3.5Å; C139-C144 WeakPolarHBondContact SG-CB 3.32Å; C139-C144 PolarHBondContact SG-N 3.29Å; C139-C144 VanDerWaalsContact SG-N 3.41Å; C139-C144 CovalentContact SG-SG 2.01Å; C139-C144 PolarHBondContact SG-SG 3.27Å | ||
| 145 | T | 62.2 | Low | 73.5 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | trans | -85.5 | 155.3 | 163.2 | 55 | 0 | 0 | 0 | 0 | 109.4 | D147 F148 | T145-D147 PolarHBondContact O-N 2.72Å; T145-D147 VanDerWaalsContact O-N 3.15Å; T145-F148 PolarHBondContact O-N 3.44Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.36Å | ||
| 146 | M | 59.3 | Low | 73.9 | Confident | 197 Ų | 197 | 75.1 Ų | 75.1 | 97% | 0.97 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.7 | -179.8 | -65.6 | -70.7 | -77.3 | 0 | 0 | 112.6 | F148 | M146-F148 VanDerWaalsContact C-N 3.34Š|
| 147 | D | 61 | Low | 74.5 | Confident | 153 Ų | 153 | 71.7 Ų | 71.7 | 82% | 0.818 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -17.9 | 176.1 | -109.9 | -16.9 | 0 | 0 | 0 | 113.6 | T145 | T145-D147 PolarHBondContact O-N 2.72Å; T145-D147 VanDerWaalsContact O-N 3.15Å |
| 148 | F | 56.6 | Low | 75.1 | Confident | 110 Ų | 110 | 74.3 Ų | 74.3 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | trans | -120.3 | 53 | -169.5 | -75 | -95.2 | 0 | 0 | 0 | 112.3 | T145 M146 L150 L151 | T145-F148 PolarHBondContact O-N 3.44Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.36Å; M146-F148 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 2.7Å; F148-L151 HydrophobicContact CB-CB 4.28Å; F148-L151 PolarHBondContact O-N 2.71Å | ||
| 149 | A | 58.8 | Low | 75.3 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -55.1 | -21 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113 | L151 S152 Q154 | A149-L151 VanDerWaalsContact C-N 3.26Å; A149-L151 PolarHBondContact O-N 3.44Å; A149-S152 PolarHBondContact O-N 2.85Å; A149-Q154 PolarHBondContact O-NE2 2.9Å |
| 150 | L | 59.9 | Low | 75.7 | Confident | 168 Ų | 168 | 84.4 Ų | 84.4 | 88% | 0.88 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -69 | -18.5 | 174.4 | -61.3 | 180 | 0 | 0 | 0 | 114 | F148 | F148-L150 PolarHBondContact O-N 2.7Š|
| 151 | L | 69.6 | Low | 76.6 | Confident | 64 Ų | 64 | 82 Ų | 82 | 34% | 0.335 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -95.4 | 5.2 | -179.6 | -132.3 | 83.1 | 0 | 0 | 0 | 113.4 | L140 F148 A149 | L140-L151 HydrophobicContact CB-CD2 4.22Å; L140-L151 HydrophobicContact CB-CG 4.04Å; L140-L151 WeakPolarHBondContact CD1-O 3.46Å; L140-L151 PolarHBondContact N-O 3.1Å; F148-L151 HydrophobicContact CB-CB 4.28Å; F148-L151 PolarHBondContact O-N 2.71Å; A149-L151 VanDerWaalsContact C-N 3.26Å; A149-L151 PolarHBondContact O-N 3.44Å |
| 152 | S | 79.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 76 Ų | 76 | 16% | 0.161 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 141.5 | 178.7 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | C138 A149 Q154 | C138-S152 WeakPolarHBondContact O-CA 3.18Å; C138-S152 PolarHBondContact O-OG 3.46Å; A149-S152 PolarHBondContact O-N 2.85Å; S152-Q154 PolarHBondContact O-N 3.26Å; S152-Q154 VanDerWaalsContact O-N 3.12Å |
| 153 | F | 86.7 | Confident | 78.9 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 12% | 0.118 | 40% | 0.403 | C | S | . | . | trans | -66.7 | 109.9 | 172.7 | -56.1 | -47.4 | 0 | 0 | 0 | 109.8 | Q120 C122 C138 L140 | Q120-F153 VanDerWaalsContact C-CG 3.47Å; Q120-F153 HydrophobicContact CB-CD1 3.87Å; Q120-F153 HydrophobicContact CB-CE1 3.53Å; Q120-F153 HydrophobicContact CB-CE2 4.4Å; Q120-F153 HydrophobicContact CB-CG 4.45Å; Q120-F153 HydrophobicContact CB-CZ 3.85Å; Q120-F153 HydrophobicContact CG-CE1 3.9Å; Q120-F153 HydrophobicContact CG-CZ 3.9Å; C122-F153 HydrophobicContact CB-CB 4.2Å; C122-F153 WeakPolarHBondContact CB-O 3.25Å; C138-F153 VanDerWaalsContact O-CD2 3.22Å; C138-F153 WeakPolarHBondContact O-CD2 3.04Å; C138-F153 WeakPolarHBondContact O-CG 3.46Å; C138-F153 PolarHBondContact O-N 2.76Å; L140-F153 HydrophobicContact CD1-CD1 3.93Å; L140-F153 HydrophobicContact CD1-CE1 3.46Å; L140-F153 VanDerWaalsContact CD1-CE1 3.46Å; L140-F153 HydrophobicContact CD1-CZ 4.12Å; L140-F153 HydrophobicContact CD2-CE1 4.49Å; L140-F153 HydrophobicContact CG-CE1 3.71Å; L140-F153 HydrophobicContact CG-CZ 3.94Å | ||
| 154 | Q | 86.7 | Confident | 79.9 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 54% | 0.537 | 38% | 0.382 | S | S | . | . | trans | -85.9 | -23.2 | -179.9 | -65 | -63.7 | -25.8 | 0 | 0 | 112.8 | P127 A149 S152 | P127-Q154 WeakPolarHBondContact CD-O 3.5Å; A149-Q154 PolarHBondContact O-NE2 2.9Å; S152-Q154 PolarHBondContact O-N 3.26Å; S152-Q154 VanDerWaalsContact O-N 3.12Å | ||
| 155 | T | 91.9 | Very high | 80.7 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 34% | 0.344 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -79.1 | 132 | -177 | -49.5 | 0 | 0 | 0 | 0 | 111 | C121 C122 E159 | C121-T155 CarbonylContact C-O 3.59Å; C121-T155 VanDerWaalsContact CA-O 3.31Å; C121-T155 WeakPolarHBondContact CA-O 3.39Å; C121-T155 WeakPolarHBondContact CB-O 3.27Å; C122-T155 PolarHBondContact N-O 3.36Å; T155-E159 HydrophobicContact CG2-CB 4.14Å; T155-E159 HydrophobicContact CG2-CG 4.26Å |
| 156 | G | 94.5 | Very high | 81.8 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | trans | -64.4 | 144.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y124 N125 K158 E159 R160 | Y124-G156 CarbonylContact O-C 3.58Å; Y124-G156 WeakPolarHBondContact O-CA 3.02Å; N125-G156 VanDerWaalsContact C-CA 3.42Å; N125-G156 WeakPolarHBondContact O-CA 3.13Å; G156-K158 PolarHBondContact O-N 3.1Å; G156-E159 PolarHBondContact O-N 3.43Å; G156-R160 PolarHBondContact O-N 2.89Å; G156-R160 VanDerWaalsContact O-N 3.1Å | ||
| 157 | C | 95.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.6 | -28.8 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | L95 M112 I115 C121 G123 Y124 R160 I161 | L95-C157 HydrophobicContact CD1-CB 4.38Å; L95-C157 HydrophobicContact CD2-CB 4.04Å; M112-C157 HydrophobicContact CE-CB 4.46Å; I115-C157 HydrophobicContact CG2-CB 4.36Å; C121-C157 HydrophobicContact CB-CB 3.88Å; C121-C157 WeakPolarHBondContact CB-SG 3.42Å; C121-C157 WeakPolarHBondContact SG-CA 3.25Å; C121-C157 WeakPolarHBondContact SG-CB 3.3Å; C121-C157 CovalentContact SG-SG 2.04Å; C121-C157 PolarHBondContact SG-SG 3.35Å; G123-C157 WeakPolarHBondContact O-CB 3.35Å; G123-C157 PolarHBondContact O-N 2.95Å; G123-C157 PolarHBondContact O-SG 3.49Å; Y124-C157 PolarHBondContact O-N 3.34Å; C157-R160 PolarHBondContact O-N 3.13Å; C157-I161 VanDerWaalsContact O-CB 3.25Å; C157-I161 WeakPolarHBondContact O-CB 3.42Å; C157-I161 VanDerWaalsContact O-CG1 3.3Å; C157-I161 WeakPolarHBondContact O-CG1 3.3Å; C157-I161 PolarHBondContact O-N 3.15Å |
| 158 | K | 96 | Very high | 84.2 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 30% | 0.3 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.2 | -54.5 | 171.4 | -174.2 | -152.7 | 175.2 | -172.9 | 0 | 111.4 | H92 Y124 G156 R160 I161 D162 | H92-K158 WeakPolarHBondContact CE1-CE 3.41Å; H92-K158 WeakPolarHBondContact CE1-CG 3.06Å; H92-K158 WeakPolarHBondContact ND1-CG 3.49Å; Y124-K158 HydrophobicContact CD2-CB 3.95Å; Y124-K158 HydrophobicContact CD2-CG 4.42Å; Y124-K158 HydrophobicContact CE1-CD 3.93Å; Y124-K158 HydrophobicContact CE1-CG 4.41Å; Y124-K158 HydrophobicContact CE2-CB 3.79Å; Y124-K158 HydrophobicContact CE2-CD 4.14Å; Y124-K158 HydrophobicContact CE2-CG 3.75Å; Y124-K158 HydrophobicContact CG-CB 4.4Å; Y124-K158 WeakPolarHBondContact O-CB 3.45Å; Y124-K158 PolarHBondContact O-N 2.9Å; Y124-K158 WeakPolarHBondContact OH-CD 3.22Å; Y124-K158 WeakPolarHBondContact OH-CE 3.45Å; G156-K158 PolarHBondContact O-N 3.1Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.78Å; K158-I161 PolarHBondContact O-N 3.46Å; K158-D162 WeakPolarHBondContact O-CB 3.44Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.03Å |
| 159 | E | 94.7 | Very high | 85.6 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 59% | 0.593 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | -178.6 | -176.5 | -179.8 | 174.4 | 0 | 0 | 111.2 | T155 G156 D162 N163 | T155-E159 HydrophobicContact CG2-CB 4.14Å; T155-E159 HydrophobicContact CG2-CG 4.26Å; G156-E159 PolarHBondContact O-N 3.43Å; E159-D162 PolarHBondContact O-N 3.43Å; E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.24Å; E159-N163 PolarHBondContact O-N 3.13Å |
| 160 | R | 92.6 | Very high | 86.9 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 179.2 | -166.2 | 63.4 | 166.6 | 174.2 | 1.1 | 112 | F119 C121 G156 C157 K158 N163 I164 | F119-R160 HydrophobicContact CB-CG 4.22Å; F119-R160 WeakPolarHBondContact O-CG 3.41Å; F119-R160 PolarHBondContact O-NE 3.29Å; C121-R160 HydrophobicContact CB-CB 4.1Å; C121-R160 HydrophobicContact CB-CG 4.4Å; G156-R160 PolarHBondContact O-N 2.89Å; G156-R160 VanDerWaalsContact O-N 3.1Å; C157-R160 PolarHBondContact O-N 3.13Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.78Å; R160-N163 PolarHBondContact O-N 3.41Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.27Å; R160-I164 VanDerWaalsContact O-N 3.15Å |
| 161 | I | 91.7 | Very high | 88.2 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.087 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 177.3 | -72.9 | 165.4 | 0 | 0 | 0 | 110.6 | I91 L95 C157 K158 N163 I164 M165 | I91-I161 HydrophobicContact CG2-CD1 4.17Å; I91-I161 HydrophobicContact CG2-CG2 3.83Å; L95-I161 HydrophobicContact CD1-CD1 3.66Å; L95-I161 HydrophobicContact CD2-CD1 3.87Å; L95-I161 HydrophobicContact CG-CD1 4.21Å; C157-I161 VanDerWaalsContact O-CB 3.25Å; C157-I161 WeakPolarHBondContact O-CB 3.42Å; C157-I161 VanDerWaalsContact O-CG1 3.3Å; C157-I161 WeakPolarHBondContact O-CG1 3.3Å; C157-I161 PolarHBondContact O-N 3.15Å; K158-I161 PolarHBondContact O-N 3.46Å; I161-N163 VanDerWaalsContact C-N 3.27Å; I161-N163 PolarHBondContact O-N 2.81Å; I161-I164 PolarHBondContact O-N 3.16Å; I161-I164 VanDerWaalsContact O-N 3.13Å; I161-M165 HydrophobicContact CG2-CG 4.18Å; I161-M165 WeakPolarHBondContact O-CB 3.41Å; I161-M165 VanDerWaalsContact O-CG 3.31Å; I161-M165 WeakPolarHBondContact O-CG 3.28Å; I161-M165 PolarHBondContact O-N 2.85Å |
| 162 | D | 92.3 | Very high | 89.1 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.2 | -85.5 | -27.2 | 0 | 0 | 0 | 111.2 | R88 H92 K158 E159 M165 H166 | R88-D162 WeakPolarHBondContact CD-OD1 3.37Å; R88-D162 IonicContact CZ-OD1 3.92Å; R88-D162 IonicContact NE-OD1 2.63Å; R88-D162 IonicContact NH1-OD1 3.66Å; R88-D162 PolarHBondContact NH1-OD1 2.96Å; H92-D162 IonicContact CE1-OD1 2.7Å; H92-D162 PolarHBondContact CE1-OD1 3.28Å; H92-D162 IonicContact CE1-OD2 3.49Å; H92-D162 PolarHBondContact CE1-OD2 3.31Å; H92-D162 VanDerWaalsContact CE1-OD2 3.26Å; H92-D162 IonicContact NE2-OD1 3.34Å; H92-D162 PolarHBondContact NE2-OD1 3.14Å; H92-D162 IonicContact NE2-OD2 3.36Å; K158-D162 WeakPolarHBondContact O-CB 3.44Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.03Å; E159-D162 PolarHBondContact O-N 3.43Å; D162-M165 PolarHBondContact O-N 3.27Å; D162-H166 WeakPolarHBondContact O-CB 3.37Å; D162-H166 PolarHBondContact O-N 3.24Å |
| 163 | N | 91.5 | Very high | 89.6 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.3 | -175.2 | 53.7 | 0 | 0 | 0 | 112.4 | E159 R160 I161 H166 N167 | E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.24Å; E159-N163 PolarHBondContact O-N 3.13Å; R160-N163 PolarHBondContact O-N 3.41Å; I161-N163 VanDerWaalsContact C-N 3.27Å; I161-N163 PolarHBondContact O-N 2.81Å; N163-H166 PolarHBondContact O-N 3.24Å; N163-N167 WeakPolarHBondContact O-CB 3.36Å; N163-N167 PolarHBondContact O-N 3.04Å |
| 164 | I | 87.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 70.7 Ų | 70.7 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 173.9 | -67.9 | 165.5 | 0 | 0 | 0 | 110.7 | F119 R160 I161 H166 N167 I170 I171 | F119-I164 HydrophobicContact CD1-CD1 3.54Å; F119-I164 HydrophobicContact CE1-CD1 3.65Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.27Å; R160-I164 VanDerWaalsContact O-N 3.15Å; I161-I164 PolarHBondContact O-N 3.16Å; I161-I164 VanDerWaalsContact O-N 3.13Å; I164-H166 VanDerWaalsContact C-N 3.34Å; I164-N167 CarbonylContact O-C 3.46Å; I164-N167 PolarHBondContact O-N 3.37Å; I164-I170 HydrophobicContact CG2-CG2 4.3Å; I164-I171 HydrophobicContact CG2-CG1 4.39Å |
| 165 | M | 85.5 | Confident | 89.8 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 177.7 | -70.2 | -66.1 | -69.3 | 0 | 0 | 112.5 | I161 D162 I171 | I161-M165 HydrophobicContact CG2-CG 4.18Å; I161-M165 WeakPolarHBondContact O-CB 3.41Å; I161-M165 VanDerWaalsContact O-CG 3.31Å; I161-M165 WeakPolarHBondContact O-CG 3.28Å; I161-M165 PolarHBondContact O-N 2.85Å; D162-M165 PolarHBondContact O-N 3.27Å; M165-I171 HydrophobicContact SD-CD1 3.57Å; M165-I171 VanDerWaalsContact SD-CD1 3.57Å |
| 166 | H | 86.1 | Confident | 89.9 | Confident | 151 Ų | 151 | 69.6 Ų | 69.6 | 70% | 0.699 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.3 | -37.6 | 177 | -159.6 | 80 | 0 | 0 | 0 | 111.2 | D162 N163 I164 F168 | D162-H166 WeakPolarHBondContact O-CB 3.37Å; D162-H166 PolarHBondContact O-N 3.24Å; N163-H166 PolarHBondContact O-N 3.24Å; I164-H166 VanDerWaalsContact C-N 3.34Å; H166-F168 VanDerWaalsContact C-N 3.26Å; H166-F168 PolarHBondContact O-N 3.45Å |
| 167 | N | 87.1 | Confident | 89.9 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | trans | -80.3 | 75.1 | 174.4 | -165.1 | 20.1 | 0 | 0 | 0 | 111.2 | N163 I164 L169 I170 | N163-N167 WeakPolarHBondContact O-CB 3.36Å; N163-N167 PolarHBondContact O-N 3.04Å; I164-N167 CarbonylContact O-C 3.46Å; I164-N167 PolarHBondContact O-N 3.37Å; N167-L169 PolarHBondContact O-N 3.17Å; N167-I170 HydrophobicContact CB-CD1 4.17Å; N167-I170 HydrophobicContact CB-CG1 4.48Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.32Å; N167-I170 VanDerWaalsContact ND2-CG1 3.32Å; N167-I170 WeakPolarHBondContact ND2-CG1 3.43Å; N167-I170 PolarHBondContact O-N 3.42Å | ||
| 168 | F | 82.8 | Confident | 89.7 | Confident | 127 Ų | 127 | 76.9 Ų | 76.9 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -48.5 | -29.4 | 179.8 | 71.9 | -89.2 | 0 | 0 | 0 | 113.1 | H166 I170 I171 C172 | H166-F168 VanDerWaalsContact C-N 3.26Å; H166-F168 PolarHBondContact O-N 3.45Å; F168-I170 VanDerWaalsContact C-N 3.34Å; F168-I170 PolarHBondContact O-N 3.1Å; F168-I171 PolarHBondContact O-N 3.37Å; F168-C172 WeakPolarHBondContact O-CB 3.07Å; F168-C172 PolarHBondContact O-N 3.4Å; F168-C172 PolarHBondContact O-SG 3.35Å |
| 169 | L | 85.5 | Confident | 89.5 | Confident | 94 Ų | 94 | 74.6 Ų | 74.6 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.3 | -41.5 | 176.2 | -68.9 | 172.4 | 0 | 0 | 0 | 113 | N167 C172 I173 | N167-L169 PolarHBondContact O-N 3.17Å; L169-C172 PolarHBondContact O-N 3.45Å; L169-I173 WeakPolarHBondContact O-CB 3.4Å; L169-I173 VanDerWaalsContact O-CD1 3.32Å; L169-I173 WeakPolarHBondContact O-CD1 3.18Å; L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 3.49Å |
| 170 | I | 87.8 | Confident | 89.6 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | -179.3 | -69.9 | 170.2 | 0 | 0 | 0 | 110.4 | I164 N167 F168 I173 S174 | I164-I170 HydrophobicContact CG2-CG2 4.3Å; N167-I170 HydrophobicContact CB-CD1 4.17Å; N167-I170 HydrophobicContact CB-CG1 4.48Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.32Å; N167-I170 VanDerWaalsContact ND2-CG1 3.32Å; N167-I170 WeakPolarHBondContact ND2-CG1 3.43Å; N167-I170 PolarHBondContact O-N 3.42Å; F168-I170 VanDerWaalsContact C-N 3.34Å; F168-I170 PolarHBondContact O-N 3.1Å; I170-I173 PolarHBondContact O-N 3.46Å; I170-S174 PolarHBondContact O-N 3.03Å; I170-S174 VanDerWaalsContact O-N 3.08Å |
| 171 | I | 86 | Confident | 89.7 | Confident | 60 Ų | 60 | 74 Ų | 74 | 31% | 0.308 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 179.2 | -63 | 173.4 | 0 | 0 | 0 | 110.5 | I164 M165 F168 I173 S174 V175 | I164-I171 HydrophobicContact CG2-CG1 4.39Å; M165-I171 HydrophobicContact SD-CD1 3.57Å; M165-I171 VanDerWaalsContact SD-CD1 3.57Å; F168-I171 PolarHBondContact O-N 3.37Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.21Å; I171-S174 PolarHBondContact O-N 3.15Å; I171-S174 PolarHBondContact O-OG 3.49Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 2.7Å; I171-V175 VanDerWaalsContact O-N 3.12Å |
| 172 | C | 88.3 | Confident | 89.8 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 175.5 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | F168 L169 S174 V175 I176 | F168-C172 WeakPolarHBondContact O-CB 3.07Å; F168-C172 PolarHBondContact O-N 3.4Å; F168-C172 PolarHBondContact O-SG 3.35Å; L169-C172 PolarHBondContact O-N 3.45Å; C172-S174 PolarHBondContact O-N 3.4Å; C172-V175 PolarHBondContact O-N 2.6Å; C172-I176 HydrophobicContact CB-CD1 4.42Å; C172-I176 VanDerWaalsContact O-CB 3.29Å; C172-I176 WeakPolarHBondContact O-CB 3.14Å; C172-I176 WeakPolarHBondContact O-CD1 3.36Å; C172-I176 WeakPolarHBondContact O-CG1 3.02Å; C172-I176 PolarHBondContact O-N 2.93Å |
| 173 | I | 91.5 | Very high | 89.9 | Confident | 104 Ų | 104 | 76.6 Ų | 76.6 | 53% | 0.533 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 177.5 | -71.9 | 162.7 | 0 | 0 | 0 | 111 | L169 I170 I171 I176 T177 | L169-I173 WeakPolarHBondContact O-CB 3.4Å; L169-I173 VanDerWaalsContact O-CD1 3.32Å; L169-I173 WeakPolarHBondContact O-CD1 3.18Å; L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 3.49Å; I170-I173 PolarHBondContact O-N 3.46Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.21Å; I173-I176 PolarHBondContact O-N 3.23Å; I173-T177 WeakPolarHBondContact O-CB 3.18Å; I173-T177 PolarHBondContact O-N 2.71Å; I173-T177 PolarHBondContact O-OG1 2.76Å |
| 174 | S | 88.1 | Confident | 90.1 | Very high | 59 Ų | 59 | 76.4 Ų | 76.4 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | -179.6 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | I170 I171 C172 T177 I178 | I170-S174 PolarHBondContact O-N 3.03Å; I170-S174 VanDerWaalsContact O-N 3.08Å; I171-S174 PolarHBondContact O-N 3.15Å; I171-S174 PolarHBondContact O-OG 3.49Å; C172-S174 PolarHBondContact O-N 3.4Å; S174-T177 PolarHBondContact O-N 3.42Å; S174-I178 WeakPolarHBondContact O-CG1 2.8Å; S174-I178 PolarHBondContact O-N 3.1Å |
| 175 | V | 89.1 | Confident | 90.4 | Very high | 49 Ų | 49 | 75.2 Ų | 75.2 | 30% | 0.297 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | E73 I171 C172 T177 I178 A179 | E73-V175 HydrophobicContact CG-CG1 4.32Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 2.7Å; I171-V175 VanDerWaalsContact O-N 3.12Å; C172-V175 PolarHBondContact O-N 2.6Å; V175-T177 VanDerWaalsContact C-N 3.26Å; V175-T177 PolarHBondContact O-N 3.18Å; V175-I178 PolarHBondContact O-N 3.27Å; V175-A179 WeakPolarHBondContact O-CB 3.28Å; V175-A179 PolarHBondContact O-N 2.94Å |
| 176 | I | 92.7 | Very high | 90.8 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 178.7 | -69.1 | 165 | 0 | 0 | 0 | 111 | C172 I173 L180 | C172-I176 HydrophobicContact CB-CD1 4.42Å; C172-I176 VanDerWaalsContact O-CB 3.29Å; C172-I176 WeakPolarHBondContact O-CB 3.14Å; C172-I176 WeakPolarHBondContact O-CD1 3.36Å; C172-I176 WeakPolarHBondContact O-CG1 3.02Å; C172-I176 PolarHBondContact O-N 2.93Å; I173-I176 PolarHBondContact O-N 3.23Å; I176-L180 HydrophobicContact CG2-CD1 3.96Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CB 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.27Å |
| 177 | T | 94.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 70.9 Ų | 70.9 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 179.7 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | I173 S174 V175 L180 I181 | I173-T177 WeakPolarHBondContact O-CB 3.18Å; I173-T177 PolarHBondContact O-N 2.71Å; I173-T177 PolarHBondContact O-OG1 2.76Å; S174-T177 PolarHBondContact O-N 3.42Å; V175-T177 VanDerWaalsContact C-N 3.26Å; V175-T177 PolarHBondContact O-N 3.18Å; T177-L180 PolarHBondContact O-N 3.27Å; T177-I181 HydrophobicContact CG2-CD1 4.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.47Å; T177-I181 PolarHBondContact O-N 2.9Å; T177-I181 VanDerWaalsContact O-N 3.14Å |
| 178 | I | 91.8 | Very high | 91.4 | Very high | 85 Ų | 85 | 74.3 Ų | 74.3 | 44% | 0.436 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -49.9 | 178.1 | -65.7 | 165.9 | 0 | 0 | 0 | 109.7 | E73 S174 V175 L180 I181 E182 | E73-I178 WeakPolarHBondContact OE1-CB 3.42Å; E73-I178 VanDerWaalsContact OE1-CG2 3.29Å; E73-I178 WeakPolarHBondContact OE1-CG2 3.47Å; S174-I178 WeakPolarHBondContact O-CG1 2.8Å; S174-I178 PolarHBondContact O-N 3.1Å; V175-I178 PolarHBondContact O-N 3.27Å; I178-L180 VanDerWaalsContact C-N 3.26Å; I178-L180 PolarHBondContact O-N 2.04Å; I178-I181 WeakPolarHBondContact O-CB 3.4Å; I178-I181 PolarHBondContact O-N 3.15Å; I178-E182 PolarHBondContact O-N 3.37Å |
| 179 | A | 93.2 | Very high | 91.9 | Very high | 22 Ų | 22 | 68.4 Ų | 68.4 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53.9 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F70 E73 V175 L183 | F70-A179 HydrophobicContact CE2-CB 4.11Å; E73-A179 PolarHBondContact OE1-N 2.91Å; E73-A179 VanDerWaalsContact OE2-CA 3.28Å; E73-A179 WeakPolarHBondContact OE2-CA 3.42Å; E73-A179 PolarHBondContact OE2-N 2.95Å; V175-A179 WeakPolarHBondContact O-CB 3.28Å; V175-A179 PolarHBondContact O-N 2.94Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.95Å |
| 180 | L | 95.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 176.2 | -75.1 | 174.3 | 0 | 0 | 0 | 112.6 | I176 T177 I178 E182 L183 I184 | I176-L180 HydrophobicContact CG2-CD1 3.96Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CB 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.27Å; T177-L180 PolarHBondContact O-N 3.27Å; I178-L180 VanDerWaalsContact C-N 3.26Å; I178-L180 PolarHBondContact O-N 2.04Å; L180-E182 VanDerWaalsContact C-N 3.32Å; L180-L183 PolarHBondContact O-N 2.96Å; L180-I184 VanDerWaalsContact O-CG1 3.26Å; L180-I184 WeakPolarHBondContact O-CG1 3.2Å; L180-I184 PolarHBondContact O-N 3.11Å |
| 181 | I | 94.8 | Very high | 92.3 | Very high | 113 Ų | 113 | 68.2 Ų | 68.2 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 176.2 | -68.1 | 165.5 | 0 | 0 | 0 | 110.2 | T177 I178 I184 G185 | T177-I181 HydrophobicContact CG2-CD1 4.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.47Å; T177-I181 PolarHBondContact O-N 2.9Å; T177-I181 VanDerWaalsContact O-N 3.14Å; I178-I181 WeakPolarHBondContact O-CB 3.4Å; I178-I181 PolarHBondContact O-N 3.15Å; I181-I184 PolarHBondContact O-N 3.02Å; I181-G185 PolarHBondContact O-N 2.92Å; I181-G185 VanDerWaalsContact O-N 3.13Å |
| 182 | E | 93.5 | Very high | 92.4 | Very high | 29 Ų | 29 | 67.9 Ų | 67.9 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 176.7 | -66.7 | -173.5 | -178.3 | 0 | 0 | 112.2 | I69 F70 I178 L180 I184 G185 L186 | I69-E182 WeakPolarHBondContact CG2-OE1 3.29Å; F70-E182 WeakPolarHBondContact CA-OE2 3.33Å; F70-E182 PolarHBondContact N-OE2 2.93Å; I178-E182 PolarHBondContact O-N 3.37Å; L180-E182 VanDerWaalsContact C-N 3.32Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.5Å; E182-G185 CarbonylContact O-C 3.52Å; E182-G185 WeakPolarHBondContact O-CA 3.38Å; E182-G185 PolarHBondContact O-N 3.33Å; E182-L186 WeakPolarHBondContact O-CG 3.42Å; E182-L186 PolarHBondContact O-N 2.96Å |
| 183 | L | 95.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 40% | 0.403 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 176.4 | -173.7 | 68.6 | 0 | 0 | 0 | 111.6 | A179 L180 G185 L186 I187 | A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.95Å; L180-L183 PolarHBondContact O-N 2.96Å; L183-G185 VanDerWaalsContact C-N 3.34Å; L183-L186 PolarHBondContact O-N 2.69Å; L183-I187 HydrophobicContact CG-CD1 4.12Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.35Å; L183-I187 PolarHBondContact O-N 3.25Å |
| 184 | I | 95.3 | Very high | 92.1 | Very high | 91 Ų | 91 | 67 Ų | 67 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.5 | -69.9 | 165.2 | 0 | 0 | 0 | 110.3 | L180 I181 E182 L186 I187 F188 | L180-I184 VanDerWaalsContact O-CG1 3.26Å; L180-I184 WeakPolarHBondContact O-CG1 3.2Å; L180-I184 PolarHBondContact O-N 3.11Å; I181-I184 PolarHBondContact O-N 3.02Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.5Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 3.38Å; I184-I187 PolarHBondContact O-N 3.17Å; I184-F188 HydrophobicContact CG2-CD2 3.56Å; I184-F188 HydrophobicContact CG2-CE2 3.34Å; I184-F188 WeakPolarHBondContact O-CD2 3.29Å; I184-F188 PolarHBondContact O-N 3.11Å |
| 185 | G | 93.7 | Very high | 92.1 | Very high | 15 Ų | 15 | 67 Ų | 67 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I181 E182 L183 F188 A189 | I181-G185 PolarHBondContact O-N 2.92Å; I181-G185 VanDerWaalsContact O-N 3.13Å; E182-G185 CarbonylContact O-C 3.52Å; E182-G185 WeakPolarHBondContact O-CA 3.38Å; E182-G185 PolarHBondContact O-N 3.33Å; L183-G185 VanDerWaalsContact C-N 3.34Å; G185-F188 PolarHBondContact O-N 3.4Å; G185-A189 WeakPolarHBondContact O-CB 3.49Å; G185-A189 PolarHBondContact O-N 2.55Å |
| 186 | L | 94.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.2 | -70.5 | 169.1 | 0 | 0 | 0 | 112.2 | F63 L66 L67 E182 L183 I184 A189 M190 | F63-L186 HydrophobicContact CD2-CD2 3.53Å; F63-L186 HydrophobicContact CE2-CB 4.28Å; F63-L186 HydrophobicContact CE2-CD2 3.51Å; F63-L186 HydrophobicContact CE2-CG 4.49Å; F63-L186 HydrophobicContact CG-CD2 4.35Å; F63-L186 HydrophobicContact CZ-CD2 4.33Å; L66-L186 HydrophobicContact CB-CD2 3.51Å; L66-L186 HydrophobicContact CB-CG 4.07Å; L66-L186 HydrophobicContact CD1-CD2 4.17Å; L66-L186 HydrophobicContact CD1-CG 4.31Å; L67-L186 HydrophobicContact CD2-CD1 3.75Å; L67-L186 HydrophobicContact CD2-CD2 3.75Å; L67-L186 HydrophobicContact CD2-CG 4.43Å; L67-L186 HydrophobicContact CG-CD2 3.84Å; E182-L186 WeakPolarHBondContact O-CG 3.42Å; E182-L186 PolarHBondContact O-N 2.96Å; L183-L186 PolarHBondContact O-N 2.69Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 3.38Å; L186-A189 PolarHBondContact O-N 2.78Å; L186-M190 WeakPolarHBondContact O-CB 2.99Å; L186-M190 VanDerWaalsContact O-CG 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.48Å; L186-M190 PolarHBondContact O-N 3.38Å |
| 187 | I | 94.8 | Very high | 91.2 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 48% | 0.482 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.4 | -67.7 | 164 | 0 | 0 | 0 | 110.3 | L183 I184 M190 T191 | L183-I187 HydrophobicContact CG-CD1 4.12Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.35Å; L183-I187 PolarHBondContact O-N 3.25Å; I184-I187 PolarHBondContact O-N 3.17Å; I187-M190 PolarHBondContact O-N 2.89Å; I187-T191 HydrophobicContact CG2-CG2 4.46Å; I187-T191 WeakPolarHBondContact O-CG2 3.08Å; I187-T191 PolarHBondContact O-N 3.42Å; I187-T191 PolarHBondContact O-OG1 3.39Å |
| 188 | F | 92 | Very high | 90.3 | Very high | 131 Ų | 131 | 65.7 Ų | 65.7 | 58% | 0.575 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 175.1 | -78.9 | -60.4 | 0 | 0 | 0 | 112.1 | I184 G185 M190 T191 L192 | I184-F188 HydrophobicContact CG2-CD2 3.56Å; I184-F188 HydrophobicContact CG2-CE2 3.34Å; I184-F188 WeakPolarHBondContact O-CD2 3.29Å; I184-F188 PolarHBondContact O-N 3.11Å; G185-F188 PolarHBondContact O-N 3.4Å; F188-M190 VanDerWaalsContact C-N 3.35Å; F188-M190 PolarHBondContact O-N 3.41Å; F188-T191 WeakPolarHBondContact CA-OG1 3.22Å; F188-T191 PolarHBondContact O-N 3.01Å; F188-T191 PolarHBondContact O-OG1 3.23Å; F188-L192 WeakPolarHBondContact O-CB 3.43Å; F188-L192 WeakPolarHBondContact O-CG 3.15Å; F188-L192 PolarHBondContact O-N 3.34Å |
| 189 | A | 91.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 3% | 0.025 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L59 Y62 F63 G185 L186 C193 | L59-A189 HydrophobicContact CD1-CB 4.29Å; Y62-A189 HydrophobicContact CD1-CB 4.16Å; Y62-A189 HydrophobicContact CE1-CB 4.3Å; F63-A189 HydrophobicContact CB-CB 4.31Å; F63-A189 HydrophobicContact CD2-CB 4.08Å; G185-A189 WeakPolarHBondContact O-CB 3.49Å; G185-A189 PolarHBondContact O-N 2.55Å; L186-A189 PolarHBondContact O-N 2.78Å; A189-C193 VanDerWaalsContact O-CB 3.24Å; A189-C193 WeakPolarHBondContact O-CB 3.46Å; A189-C193 PolarHBondContact O-N 3.19Å |
| 190 | M | 90.6 | Very high | 88.1 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 177 | -76.7 | -64.3 | -143.4 | 0 | 0 | 112.3 | F63 L186 I187 F188 L192 C193 C194 | F63-M190 HydrophobicContact CD2-CG 4.26Å; F63-M190 HydrophobicContact CD2-SD 4.32Å; F63-M190 HydrophobicContact CE1-CE 4.19Å; F63-M190 HydrophobicContact CE2-CE 3.7Å; F63-M190 HydrophobicContact CE2-CG 3.67Å; F63-M190 HydrophobicContact CE2-SD 3.75Å; F63-M190 HydrophobicContact CZ-CE 3.37Å; F63-M190 HydrophobicContact CZ-CG 4.35Å; F63-M190 HydrophobicContact CZ-SD 3.92Å; L186-M190 WeakPolarHBondContact O-CB 2.99Å; L186-M190 VanDerWaalsContact O-CG 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.48Å; L186-M190 PolarHBondContact O-N 3.38Å; I187-M190 PolarHBondContact O-N 2.89Å; F188-M190 VanDerWaalsContact C-N 3.35Å; F188-M190 PolarHBondContact O-N 3.41Å; M190-L192 PolarHBondContact O-N 3.1Å; M190-C193 WeakPolarHBondContact O-CB 3.4Å; M190-C193 PolarHBondContact O-N 3.13Å; M190-C193 VanDerWaalsContact O-N 3.15Å; M190-C194 WeakPolarHBondContact O-CB 3.37Å; M190-C194 PolarHBondContact O-N 3.46Å; M190-C194 PolarHBondContact O-SG 3.21Å |
| 191 | T | 91.6 | Very high | 86.6 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 47% | 0.466 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 178.5 | 51 | 0 | 0 | 0 | 0 | 111.9 | I187 F188 C193 C194 A195 | I187-T191 HydrophobicContact CG2-CG2 4.46Å; I187-T191 WeakPolarHBondContact O-CG2 3.08Å; I187-T191 PolarHBondContact O-N 3.42Å; I187-T191 PolarHBondContact O-OG1 3.39Å; F188-T191 WeakPolarHBondContact CA-OG1 3.22Å; F188-T191 PolarHBondContact O-N 3.01Å; F188-T191 PolarHBondContact O-OG1 3.23Å; T191-C193 VanDerWaalsContact C-N 3.35Å; T191-C194 PolarHBondContact O-N 2.94Å; T191-A195 WeakPolarHBondContact O-CB 2.99Å; T191-A195 PolarHBondContact O-N 3.22Å |
| 192 | L | 88.8 | Confident | 85.2 | Confident | 52 Ų | 52 | 72 Ų | 72 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 172.6 | -74.7 | 170.2 | 0 | 0 | 0 | 111.7 | L59 F188 M190 A195 V196 | L59-L192 HydrophobicContact CD1-CB 4.4Å; L59-L192 HydrophobicContact CD2-CB 3.69Å; F188-L192 WeakPolarHBondContact O-CB 3.43Å; F188-L192 WeakPolarHBondContact O-CG 3.15Å; F188-L192 PolarHBondContact O-N 3.34Å; M190-L192 PolarHBondContact O-N 3.1Å; L192-A195 PolarHBondContact O-N 2.03Å; L192-V196 WeakPolarHBondContact O-CG2 3.15Å; L192-V196 PolarHBondContact O-N 3.16Å |
| 193 | C | 86.6 | Confident | 83.9 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 178.9 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | L59 A189 M190 T191 V196 N197 | L59-C193 VanDerWaalsContact CD2-CA 3.49Å; L59-C193 HydrophobicContact CD2-CB 3.73Å; L59-C193 VanDerWaalsContact CD2-N 3.29Å; A189-C193 VanDerWaalsContact O-CB 3.24Å; A189-C193 WeakPolarHBondContact O-CB 3.46Å; A189-C193 PolarHBondContact O-N 3.19Å; M190-C193 WeakPolarHBondContact O-CB 3.4Å; M190-C193 PolarHBondContact O-N 3.13Å; M190-C193 VanDerWaalsContact O-N 3.15Å; T191-C193 VanDerWaalsContact C-N 3.35Å; C193-V196 PolarHBondContact O-N 3.23Å; C193-N197 WeakPolarHBondContact O-CB 2.97Å; C193-N197 PolarHBondContact O-N 3.14Å |
| 194 | C | 87.5 | Confident | 82.3 | Confident | 91 Ų | 91 | 77 Ų | 77 | 62% | 0.615 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 173.4 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | M190 T191 N197 G198 | M190-C194 WeakPolarHBondContact O-CB 3.37Å; M190-C194 PolarHBondContact O-N 3.46Å; M190-C194 PolarHBondContact O-SG 3.21Å; T191-C194 PolarHBondContact O-N 2.94Å; C194-N197 PolarHBondContact O-N 2.94Å; C194-G198 PolarHBondContact O-N 3.28Å; C194-G198 VanDerWaalsContact O-N 3.16Å |
| 195 | A | 86.7 | Confident | 81 | Confident | 58 Ų | 58 | 80.4 Ų | 80.4 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T191 L192 N197 R199 | T191-A195 WeakPolarHBondContact O-CB 2.99Å; T191-A195 PolarHBondContact O-N 3.22Å; L192-A195 PolarHBondContact O-N 2.03Å; A195-N197 VanDerWaalsContact C-N 3.34Å; A195-R199 PolarHBondContact O-N 3.28Å |
| 196 | V | 83 | Confident | 79.6 | Confident | 12 Ų | 12 | 88.4 Ų | 88.4 | 7% | 0.073 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | Y54 R56 L192 C193 R199 | Y54-V196 HydrophobicContact CD1-CG2 3.57Å; Y54-V196 HydrophobicContact CE1-CG2 4.5Å; Y54-V196 HydrophobicContact CG-CG2 4.25Å; Y54-V196 WeakPolarHBondContact O-CG1 3.38Å; R56-V196 HydrophobicContact CG-CG1 3.44Å; R56-V196 VanDerWaalsContact CG-CG1 3.44Å; R56-V196 PolarHBondContact NH2-O 3.48Å; L192-V196 WeakPolarHBondContact O-CG2 3.15Å; L192-V196 PolarHBondContact O-N 3.16Å; C193-V196 PolarHBondContact O-N 3.23Å; V196-R199 PolarHBondContact O-N 3.35Å |
| 197 | N | 79.8 | Confident | 78.2 | Confident | 106 Ų | 106 | 90.5 Ų | 90.5 | 57% | 0.567 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | -179.4 | -169.6 | 53.9 | 0 | 0 | 0 | 112.5 | R56 C193 C194 A195 R199 | R56-N197 PolarHBondContact NH1-OD1 3.14Å; R56-N197 PolarHBondContact NH2-O 3.41Å; C193-N197 WeakPolarHBondContact O-CB 2.97Å; C193-N197 PolarHBondContact O-N 3.14Å; C194-N197 PolarHBondContact O-N 2.94Å; A195-N197 VanDerWaalsContact C-N 3.34Å; N197-R199 VanDerWaalsContact C-N 3.28Å; N197-R199 PolarHBondContact O-N 3.35Å |
| 198 | G | 76.2 | Confident | 77 | Confident | 71 Ų | 71 | 89.7 Ų | 89.7 | 73% | 0.732 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | C194 | C194-G198 PolarHBondContact O-N 3.28Å; C194-G198 VanDerWaalsContact O-N 3.16Å |
| 199 | R | 71.3 | Confident | 76.3 | Confident | 132 Ų | 132 | 90.4 Ų | 90.4 | 50% | 0.498 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -88.6 | 117.2 | -179.8 | -163 | 168.4 | -170.3 | 167.5 | 2.7 | 110.2 | A195 V196 N197 P201 | A195-R199 PolarHBondContact O-N 3.28Å; V196-R199 PolarHBondContact O-N 3.35Å; N197-R199 VanDerWaalsContact C-N 3.28Å; N197-R199 PolarHBondContact O-N 3.35Å; R199-P201 VanDerWaalsContact O-CD 3.3Å; R199-P201 WeakPolarHBondContact O-CD 3.25Å |
| 200 | D | 67.6 | Low | 75.5 | Confident | 116 Ų | 116 | 96.1 Ų | 96.1 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | trans | -60.7 | 115.6 | 173.2 | -96.7 | -36 | 0 | 0 | 0 | 110.5 | N202 A203 | D200-N202 PolarHBondContact O-N 3.12Å; D200-A203 HydrophobicContact CB-CB 4.11Å; D200-A203 PolarHBondContact O-N 3.17Å; D200-A203 VanDerWaalsContact O-N 3.09Å | ||
| 201 | P | 63.8 | Low | 74.2 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.4 | -28.2 | 177.4 | 22.6 | -30.6 | 0 | 0 | 0 | 111.9 | R199 A203 Y204 Y205 | R199-P201 VanDerWaalsContact O-CD 3.3Å; R199-P201 WeakPolarHBondContact O-CD 3.25Å; P201-A203 VanDerWaalsContact C-N 3.33Å; P201-A203 PolarHBondContact O-N 2.86Å; P201-Y204 PolarHBondContact O-N 3.33Å; P201-Y205 PolarHBondContact O-N 3.32Å |
| 202 | N | 66.4 | Low | 73.4 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.4 | -28.8 | 177.2 | -67.6 | -23.9 | 0 | 0 | 0 | 113.3 | D200 R206 | D200-N202 PolarHBondContact O-N 3.12Å; N202-R206 WeakPolarHBondContact O-CG 3.14Å; N202-R206 PolarHBondContact O-N 2.92Å |
| 203 | A | 65.5 | Low | 72.6 | Confident | 59 Ų | 59 | 101.9 Ų | 101.9 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.6 | -35.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D200 P201 A207 | D200-A203 HydrophobicContact CB-CB 4.11Å; D200-A203 PolarHBondContact O-N 3.17Å; D200-A203 VanDerWaalsContact O-N 3.09Å; P201-A203 VanDerWaalsContact C-N 3.33Å; P201-A203 PolarHBondContact O-N 2.86Å; A203-A207 PolarHBondContact O-N 3.37Å |
| 204 | Y | 62 | Low | 71.8 | Confident | 153 Ų | 153 | 104.7 Ų | 104.7 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.8 | -42.7 | 175.8 | 178.2 | -102.9 | 0 | 0 | 0 | 112.2 | P201 R206 A207 V208 | P201-Y204 PolarHBondContact O-N 3.33Å; Y204-R206 VanDerWaalsContact C-N 3.27Å; Y204-R206 PolarHBondContact O-N 2.01Å; Y204-A207 PolarHBondContact O-N 3.1Å; Y204-A207 VanDerWaalsContact O-N 3.11Å; Y204-V208 HydrophobicContact CD1-CG2 4.41Å; Y204-V208 HydrophobicContact CE1-CG2 3.94Å; Y204-V208 HydrophobicContact CE2-CG2 4.05Å; Y204-V208 PolarHBondContact O-N 3.37Å; Y204-V208 VanDerWaalsContact O-N 3.1Å |
| 205 | Y | 67 | Low | 70.8 | Confident | 162 Ų | 162 | 105.5 Ų | 105.5 | 64% | 0.635 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -37.2 | 177.5 | -139 | -90.6 | 0 | 0 | 0 | 112.1 | P201 V208 Q209 | P201-Y205 PolarHBondContact O-N 3.32Å; Y205-V208 PolarHBondContact O-N 3.43Å; Y205-Q209 PolarHBondContact O-N 2.95Å |
| 206 | R | 64.6 | Low | 69.9 | Low | 182 Ų | 182 | 108.4 Ų | 108.4 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -43.1 | 173.3 | -71.2 | -176.7 | -160.1 | -170.4 | 6.3 | 112.5 | N202 Y204 V208 Q209 T210 | N202-R206 WeakPolarHBondContact O-CG 3.14Å; N202-R206 PolarHBondContact O-N 2.92Å; Y204-R206 VanDerWaalsContact C-N 3.27Å; Y204-R206 PolarHBondContact O-N 2.01Å; R206-V208 VanDerWaalsContact C-N 3.32Å; R206-V208 PolarHBondContact O-N 3.48Å; R206-Q209 PolarHBondContact O-N 3.15Å; R206-T210 WeakPolarHBondContact O-CG2 3Å; R206-T210 PolarHBondContact O-N 3.36Å; R206-T210 VanDerWaalsContact O-N 3.13Å; R206-T210 PolarHBondContact O-OG1 3.41Å; R206-T210 VanDerWaalsContact O-OG1 3.05Å |
| 207 | A | 64.6 | Low | 69 | Low | 56 Ų | 56 | 114.9 Ų | 114.9 | 46% | 0.463 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.3 | -35.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A203 Y204 T210 | A203-A207 PolarHBondContact O-N 3.37Å; Y204-A207 PolarHBondContact O-N 3.1Å; Y204-A207 VanDerWaalsContact O-N 3.11Å; A207-T210 PolarHBondContact O-OG1 3.04Å |
| 208 | V | 69.1 | Low | 68.2 | Low | 78 Ų | 78 | 115.5 Ų | 115.5 | 47% | 0.473 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.2 | -35.5 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | Y204 Y205 R206 T210 A211 | Y204-V208 HydrophobicContact CD1-CG2 4.41Å; Y204-V208 HydrophobicContact CE1-CG2 3.94Å; Y204-V208 HydrophobicContact CE2-CG2 4.05Å; Y204-V208 PolarHBondContact O-N 3.37Å; Y204-V208 VanDerWaalsContact O-N 3.1Å; Y205-V208 PolarHBondContact O-N 3.43Å; R206-V208 VanDerWaalsContact C-N 3.32Å; R206-V208 PolarHBondContact O-N 3.48Å; V208-T210 VanDerWaalsContact C-N 3.27Å; V208-T210 PolarHBondContact O-N 2.94Å; V208-A211 PolarHBondContact O-N 2.66Å |
| 209 | Q | 77.3 | Confident | 67.6 | Low | 146 Ų | 146 | 118.9 Ų | 118.9 | 68% | 0.682 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.1 | -22.9 | 174.8 | -97.3 | 177.2 | -40.7 | 0 | 0 | 113.9 | Y205 R206 | Y205-Q209 PolarHBondContact O-N 2.95Å; R206-Q209 PolarHBondContact O-N 3.15Å |
| 210 | T | 76.1 | Confident | 67.3 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -4.1 | 178.3 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | R206 A207 V208 | R206-T210 WeakPolarHBondContact O-CG2 3Å; R206-T210 PolarHBondContact O-N 3.36Å; R206-T210 VanDerWaalsContact O-N 3.13Å; R206-T210 PolarHBondContact O-OG1 3.41Å; R206-T210 VanDerWaalsContact O-OG1 3.05Å; A207-T210 PolarHBondContact O-OG1 3.04Å; V208-T210 VanDerWaalsContact C-N 3.27Å; V208-T210 PolarHBondContact O-N 2.94Å |
| 211 | A | 63.5 | Low | 67.3 | Low | 140 Ų | 140 | 118 Ų | 118 | 100% | 1.157 | 65% | 0.646 | S | S | * | * | trans | -98.2 | 0 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V208 | V208-A211 PolarHBondContact O-N 2.66Š|
Retrieved 211 of 211 residues in 151.5 ms
(Link to these results)