| 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 | 45.8 | Very low | 66.4 | Low | 191 Ų | 191 | 107.5 Ų | 107.5 | 94% | 0.941 | 55% | 0.547 | S | S | * | . | 0 | 88.9 | 0 | -76.9 | 175.4 | -99.6 | 0 | 0 | 108.5 | R9 | M1-R9 PolarHBondContact O-NH2 2.81Š| |||
| 2 | T | 46.4 | Very low | 67.2 | Low | 131 Ų | 131 | 104.3 Ų | 104.3 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | trans | -102.2 | 138.4 | -176.8 | 44.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | D | 56.4 | Low | 67.9 | Low | 156 Ų | 156 | 106.2 Ų | 106.2 | 83% | 0.834 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 65.1 | 50.8 | -171.2 | -60.2 | -9.5 | 0 | 0 | 0 | 115.9 | ||
| 4 | M | 64 | Low | 68.4 | Low | 44 Ų | 44 | 102.3 Ų | 102.3 | 22% | 0.217 | 52% | 0.518 | C | S | . | . | trans | -108.4 | 134.1 | 158.5 | -169.9 | 154.8 | 70.8 | 0 | 0 | 108.4 | M8 R9 I12 | M4-M8 HydrophobicContact CG-CB 3.63Å; M4-M8 HydrophobicContact CG-CE 4.16Å; M4-M8 HydrophobicContact SD-CB 4.1Å; M4-R9 HydrophobicContact CB-CG 4.17Å; M4-R9 HydrophobicContact CE-CB 4.3Å; M4-R9 HydrophobicContact CE-CG 3.55Å; M4-R9 HydrophobicContact CG-CG 4.2Å; M4-R9 PolarHBondContact O-NE 2.98Å; M4-I12 HydrophobicContact CE-CD1 3.57Å; M4-I12 HydrophobicContact SD-CD1 3.67Å | ||
| 5 | L | 71.3 | Confident | 69.2 | Low | 89 Ų | 89 | 98.9 Ų | 98.9 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | trans | -58.5 | 142.7 | 174.7 | -68.2 | 170.9 | 0 | 0 | 0 | 109.6 | D7 M8 R9 | L5-D7 VanDerWaalsContact C-N 3.3Å; L5-D7 PolarHBondContact O-N 3.14Å; L5-M8 HydrophobicContact CB-CE 4.11Å; L5-M8 HydrophobicContact CD1-CE 4.24Å; L5-M8 HydrophobicContact CG-CE 4.3Å; L5-M8 WeakPolarHBondContact O-CA 3.39Å; L5-M8 WeakPolarHBondContact O-CB 3.26Å; L5-M8 PolarHBondContact O-N 2.86Å; L5-R9 PolarHBondContact O-N 3.18Å; L5-R9 VanDerWaalsContact O-N 3.15Å | ||
| 6 | D | 74.9 | Confident | 69.6 | Low | 96 Ų | 96 | 100.1 Ų | 100.1 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | -173.6 | -58.3 | -44.8 | 0 | 0 | 0 | 111.6 | M8 R9 D10 | D6-M8 PolarHBondContact O-N 3.17Å; D6-M8 VanDerWaalsContact O-N 3.1Å; D6-R9 WeakPolarHBondContact O-CA 3.33Å; D6-R9 WeakPolarHBondContact O-CB 3.34Å; D6-R9 PolarHBondContact O-N 2.72Å; D6-R9 IonicContact OD1-CZ 3.41Å; D6-R9 IonicContact OD1-NH1 3.33Å; D6-R9 PolarHBondContact OD1-NH1 3.46Å; D6-D10 PolarHBondContact O-N 2.92Å |
| 7 | D | 72.7 | Confident | 69.9 | Low | 133 Ų | 133 | 102.5 Ų | 102.5 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -50.7 | -36.8 | 169.4 | -58.5 | -16.5 | 0 | 0 | 0 | 113.7 | L5 R11 | L5-D7 VanDerWaalsContact C-N 3.3Å; L5-D7 PolarHBondContact O-N 3.14Å; D7-R11 VanDerWaalsContact O-CB 3.28Å; D7-R11 WeakPolarHBondContact O-CB 3.4Å; D7-R11 PolarHBondContact O-N 3.11Å |
| 8 | M | 73.3 | Confident | 70.4 | Confident | 71 Ų | 71 | 97.6 Ų | 97.6 | 35% | 0.35 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -80.5 | -28.7 | 177.3 | -77.5 | -165.6 | -73.6 | 0 | 0 | 112.6 | M4 L5 D6 I12 L955 | M4-M8 HydrophobicContact CG-CB 3.63Å; M4-M8 HydrophobicContact CG-CE 4.16Å; M4-M8 HydrophobicContact SD-CB 4.1Å; L5-M8 HydrophobicContact CB-CE 4.11Å; L5-M8 HydrophobicContact CD1-CE 4.24Å; L5-M8 HydrophobicContact CG-CE 4.3Å; L5-M8 WeakPolarHBondContact O-CA 3.39Å; L5-M8 WeakPolarHBondContact O-CB 3.26Å; L5-M8 PolarHBondContact O-N 2.86Å; D6-M8 PolarHBondContact O-N 3.17Å; D6-M8 VanDerWaalsContact O-N 3.1Å; M8-I12 WeakPolarHBondContact O-CB 3.49Å; M8-I12 WeakPolarHBondContact O-CD1 3.33Å; M8-I12 WeakPolarHBondContact O-CG1 3.3Å; M8-I12 PolarHBondContact O-N 3.08Å; M8-I12 VanDerWaalsContact O-N 3.09Å; M8-L955 HydrophobicContact CE-CD1 4.37Å |
| 9 | R | 72.2 | Confident | 71 | Confident | 85 Ų | 85 | 95.4 Ų | 95.4 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.9 | -53.7 | 172.2 | -69.8 | 170.8 | 165.7 | 157.6 | -7.3 | 110.1 | M1 M4 L5 D6 R11 I12 E13 | M1-R9 PolarHBondContact O-NH2 2.81Å; M4-R9 HydrophobicContact CB-CG 4.17Å; M4-R9 HydrophobicContact CE-CB 4.3Å; M4-R9 HydrophobicContact CE-CG 3.55Å; M4-R9 HydrophobicContact CG-CG 4.2Å; M4-R9 PolarHBondContact O-NE 2.98Å; L5-R9 PolarHBondContact O-N 3.18Å; L5-R9 VanDerWaalsContact O-N 3.15Å; D6-R9 WeakPolarHBondContact O-CA 3.33Å; D6-R9 WeakPolarHBondContact O-CB 3.34Å; D6-R9 PolarHBondContact O-N 2.72Å; D6-R9 IonicContact OD1-CZ 3.41Å; D6-R9 IonicContact OD1-NH1 3.33Å; D6-R9 PolarHBondContact OD1-NH1 3.46Å; R9-R11 PolarHBondContact O-N 2.86Å; R9-I12 PolarHBondContact O-N 3.16Å; R9-E13 PolarHBondContact O-N 3.07Å |
| 10 | D | 74.7 | Confident | 71.2 | Confident | 103 Ų | 103 | 93.1 Ų | 93.1 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -56.3 | -40 | 177.9 | -66.2 | -1.8 | 0 | 0 | 0 | 111 | D6 L14 | D6-D10 PolarHBondContact O-N 2.92Å; D10-L14 VanDerWaalsContact O-CB 3.23Å; D10-L14 WeakPolarHBondContact O-CB 3.34Å; D10-L14 PolarHBondContact O-N 3.43Å |
| 11 | R | 78.7 | Confident | 71.5 | Confident | 83 Ų | 83 | 89.3 Ų | 89.3 | 31% | 0.313 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 176.7 | -165.6 | 63.5 | 170.7 | 132 | 0.7 | 113.3 | D7 R9 I15 T204 D206 | D7-R11 VanDerWaalsContact O-CB 3.28Å; D7-R11 WeakPolarHBondContact O-CB 3.4Å; D7-R11 PolarHBondContact O-N 3.11Å; R9-R11 PolarHBondContact O-N 2.86Å; R11-I15 HydrophobicContact CG-CD1 4.32Å; R11-I15 WeakPolarHBondContact O-CD1 3.37Å; R11-I15 VanDerWaalsContact O-CG1 3.28Å; R11-I15 WeakPolarHBondContact O-CG1 3.33Å; R11-I15 PolarHBondContact O-N 3.07Å; R11-I15 VanDerWaalsContact O-N 3.13Å; R11-T204 PolarHBondContact NH2-O 3.3Å; R11-D206 IonicContact CZ-OD1 2.7Å; R11-D206 IonicContact NH1-OD1 3.31Å; R11-D206 PolarHBondContact NH1-OD1 3.38Å; R11-D206 IonicContact NH2-OD1 3.42Å; R11-D206 PolarHBondContact NH2-OD1 3.34Å |
| 12 | I | 76.3 | Confident | 73.3 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 35% | 0.354 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.8 | -46 | 176.5 | -75.3 | 164.9 | 0 | 0 | 0 | 110.7 | M4 M8 R9 L14 I15 E16 | M4-I12 HydrophobicContact CE-CD1 3.57Å; M4-I12 HydrophobicContact SD-CD1 3.67Å; M8-I12 WeakPolarHBondContact O-CB 3.49Å; M8-I12 WeakPolarHBondContact O-CD1 3.33Å; M8-I12 WeakPolarHBondContact O-CG1 3.3Å; M8-I12 PolarHBondContact O-N 3.08Å; M8-I12 VanDerWaalsContact O-N 3.09Å; R9-I12 PolarHBondContact O-N 3.16Å; I12-L14 VanDerWaalsContact C-N 3.27Å; I12-L14 PolarHBondContact O-N 3.23Å; I12-I15 PolarHBondContact O-N 3.21Å; I12-I15 VanDerWaalsContact O-N 3.12Å; I12-E16 HydrophobicContact CG2-CG 4.38Å; I12-E16 WeakPolarHBondContact O-CG 3.48Å; I12-E16 PolarHBondContact O-N 2.84Å |
| 13 | E | 75.9 | Confident | 74.9 | Confident | 130 Ų | 130 | 75.2 Ų | 75.2 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.3 | -38.2 | 176.6 | -69.9 | -172.1 | -168.9 | 0 | 0 | 111.7 | R9 R17 | R9-E13 PolarHBondContact O-N 3.07Å; E13-R17 VanDerWaalsContact O-CB 3.24Å; E13-R17 WeakPolarHBondContact O-CB 3.37Å; E13-R17 PolarHBondContact O-N 3.45Å |
| 14 | L | 75.7 | Confident | 76 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 173.2 | -179 | 59.6 | 0 | 0 | 0 | 112.1 | D10 I12 R17 Q18 D74 | D10-L14 VanDerWaalsContact O-CB 3.23Å; D10-L14 WeakPolarHBondContact O-CB 3.34Å; D10-L14 PolarHBondContact O-N 3.43Å; I12-L14 VanDerWaalsContact C-N 3.27Å; I12-L14 PolarHBondContact O-N 3.23Å; L14-R17 PolarHBondContact O-N 2.91Å; L14-Q18 HydrophobicContact CD1-CG 4.34Å; L14-Q18 WeakPolarHBondContact O-CB 3.29Å; L14-Q18 VanDerWaalsContact O-CG 3.28Å; L14-Q18 WeakPolarHBondContact O-CG 3.34Å; L14-Q18 PolarHBondContact O-N 2.76Å; L14-D74 WeakPolarHBondContact CD1-OD2 3.29Å |
| 15 | I | 79.5 | Confident | 77.1 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 178.2 | -70.5 | 165.7 | 0 | 0 | 0 | 111.3 | R11 I12 R17 Q18 F19 F207 | R11-I15 HydrophobicContact CG-CD1 4.32Å; R11-I15 WeakPolarHBondContact O-CD1 3.37Å; R11-I15 VanDerWaalsContact O-CG1 3.28Å; R11-I15 WeakPolarHBondContact O-CG1 3.33Å; R11-I15 PolarHBondContact O-N 3.07Å; R11-I15 VanDerWaalsContact O-N 3.13Å; I12-I15 PolarHBondContact O-N 3.21Å; I12-I15 VanDerWaalsContact O-N 3.12Å; I15-R17 VanDerWaalsContact C-N 3.33Å; I15-R17 PolarHBondContact O-N 2.96Å; I15-Q18 PolarHBondContact O-N 3.25Å; I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 2.91Å; I15-F207 HydrophobicContact CG2-CB 4.39Å |
| 16 | E | 76.1 | Confident | 77.9 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.5 | -72.2 | -176.4 | 166.1 | 0 | 0 | 111.8 | I12 S20 | I12-E16 HydrophobicContact CG2-CG 4.38Å; I12-E16 WeakPolarHBondContact O-CG 3.48Å; I12-E16 PolarHBondContact O-N 2.84Å; E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 2.94Å; E16-S20 PolarHBondContact O-OG 3.26Å |
| 17 | R | 74.4 | Confident | 78.1 | Confident | 142 Ų | 142 | 63.3 Ų | 63.3 | 54% | 0.536 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 174.7 | -177.3 | 179.4 | 178.1 | 136.6 | -2.7 | 112 | E13 L14 I15 S20 V21 D74 | E13-R17 VanDerWaalsContact O-CB 3.24Å; E13-R17 WeakPolarHBondContact O-CB 3.37Å; E13-R17 PolarHBondContact O-N 3.45Å; L14-R17 PolarHBondContact O-N 2.91Å; I15-R17 VanDerWaalsContact C-N 3.33Å; I15-R17 PolarHBondContact O-N 2.96Å; R17-S20 WeakPolarHBondContact O-CB 3.3Å; R17-S20 PolarHBondContact O-N 2.74Å; R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 3.42Å; R17-D74 PolarHBondContact NE-O 3.34Å; R17-D74 PolarHBondContact NH2-O 3.05Å |
| 18 | Q | 79 | Confident | 78.5 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -52.1 | 176.5 | -77.4 | 176.9 | -6.2 | 0 | 0 | 110.6 | L14 I15 S20 V21 S22 | L14-Q18 HydrophobicContact CD1-CG 4.34Å; L14-Q18 WeakPolarHBondContact O-CB 3.29Å; L14-Q18 VanDerWaalsContact O-CG 3.28Å; L14-Q18 WeakPolarHBondContact O-CG 3.34Å; L14-Q18 PolarHBondContact O-N 2.76Å; I15-Q18 PolarHBondContact O-N 3.25Å; Q18-S20 VanDerWaalsContact C-N 3.26Å; Q18-S20 PolarHBondContact O-N 2.7Å; Q18-V21 PolarHBondContact O-N 3.46Å; Q18-V21 VanDerWaalsContact O-N 3.12Å; Q18-S22 WeakPolarHBondContact O-CB 3.42Å; Q18-S22 PolarHBondContact O-N 3.48Å; Q18-S22 PolarHBondContact O-OG 3.03Å |
| 19 | F | 81.7 | Confident | 79.3 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.9 | -42.2 | 175.4 | 175.3 | -96.3 | 0 | 0 | 0 | 112.8 | I15 S22 S23 F207 Y212 I221 | I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 2.91Å; F19-S22 PolarHBondContact O-N 2.85Å; F19-S23 WeakPolarHBondContact O-CB 3.45Å; F19-S23 PolarHBondContact O-N 3.46Å; F19-S23 PolarHBondContact O-OG 3.22Å; F19-F207 HydrophobicContact CD2-CD1 4.22Å; F19-F207 HydrophobicContact CD2-CD2 4.18Å; F19-F207 AromaticContact CD2-CE1 3.71Å; F19-F207 HydrophobicContact CD2-CE1 3.71Å; F19-F207 AromaticContact CD2-CE2 3.66Å; F19-F207 HydrophobicContact CD2-CE2 3.66Å; F19-F207 HydrophobicContact CD2-CG 4.43Å; F19-F207 AromaticContact CD2-CZ 3.4Å; F19-F207 HydrophobicContact CD2-CZ 3.4Å; F19-F207 VanDerWaalsContact CD2-CZ 3.4Å; F19-F207 HydrophobicContact CE2-CE1 4.36Å; F19-F207 HydrophobicContact CE2-CE2 4.02Å; F19-F207 AromaticContact CE2-CZ 3.71Å; F19-F207 HydrophobicContact CE2-CZ 3.71Å; F19-Y212 PolarHBondContact O-OH 3.21Å; F19-I221 HydrophobicContact CE2-CG2 3.83Å; F19-I221 HydrophobicContact CZ-CG2 3.58Å |
| 20 | S | 74.7 | Confident | 79.8 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 178.6 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | E16 R17 Q18 V24 | E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 2.94Å; E16-S20 PolarHBondContact O-OG 3.26Å; R17-S20 WeakPolarHBondContact O-CB 3.3Å; R17-S20 PolarHBondContact O-N 2.74Å; Q18-S20 VanDerWaalsContact C-N 3.26Å; Q18-S20 PolarHBondContact O-N 2.7Å; S20-V24 WeakPolarHBondContact O-CG2 3.4Å; S20-V24 PolarHBondContact O-N 3.23Å |
| 21 | V | 77.5 | Confident | 80.1 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 9% | 0.085 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -49.7 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | R17 Q18 S23 V24 I25 L76 | R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 3.42Å; Q18-V21 PolarHBondContact O-N 3.46Å; Q18-V21 VanDerWaalsContact O-N 3.12Å; V21-S23 VanDerWaalsContact C-N 3.32Å; V21-S23 PolarHBondContact O-N 3Å; V21-V24 PolarHBondContact O-N 3.14Å; V21-V24 VanDerWaalsContact O-N 3.14Å; V21-I25 HydrophobicContact CG1-CG1 4.02Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.44Å; V21-I25 PolarHBondContact O-N 2.99Å; V21-L76 HydrophobicContact CG1-CD1 4.07Å |
| 22 | S | 84.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | -176.8 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | Q18 F19 V24 I25 F26 R66 E209 | Q18-S22 WeakPolarHBondContact O-CB 3.42Å; Q18-S22 PolarHBondContact O-N 3.48Å; Q18-S22 PolarHBondContact O-OG 3.03Å; F19-S22 PolarHBondContact O-N 2.85Å; S22-V24 PolarHBondContact O-N 3.4Å; S22-I25 PolarHBondContact O-N 3.37Å; S22-F26 WeakPolarHBondContact O-CB 3.18Å; S22-F26 PolarHBondContact O-N 3.18Å; S22-R66 PolarHBondContact OG-NH1 2.87Å; S22-R66 PolarHBondContact OG-NH2 3Å; S22-E209 PolarHBondContact OG-OE1 2.65Å |
| 23 | S | 80.1 | Confident | 81 | Confident | 26 Ų | 26 | 46 Ų | 46 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 175.2 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | F19 V21 R27 Y212 | F19-S23 WeakPolarHBondContact O-CB 3.45Å; F19-S23 PolarHBondContact O-N 3.46Å; F19-S23 PolarHBondContact O-OG 3.22Å; V21-S23 VanDerWaalsContact C-N 3.32Å; V21-S23 PolarHBondContact O-N 3Å; S23-R27 PolarHBondContact O-N 3.43Å; S23-Y212 WeakPolarHBondContact CA-OH 3.44Å; S23-Y212 PolarHBondContact N-OH 3.03Å; S23-Y212 VanDerWaalsContact N-OH 3.17Å; S23-Y212 PolarHBondContact OG-OH 3.17Å |
| 24 | V | 78.8 | Confident | 81.3 | Confident | 42 Ų | 42 | 41.1 Ų | 41.1 | 26% | 0.255 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.3 | -41.5 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | S20 V21 S22 N28 L76 Y80 | S20-V24 WeakPolarHBondContact O-CG2 3.4Å; S20-V24 PolarHBondContact O-N 3.23Å; V21-V24 PolarHBondContact O-N 3.14Å; V21-V24 VanDerWaalsContact O-N 3.14Å; S22-V24 PolarHBondContact O-N 3.4Å; V24-N28 PolarHBondContact O-N 3.44Å; V24-L76 HydrophobicContact CB-CD1 4.03Å; V24-L76 HydrophobicContact CG1-CD1 3.81Å; V24-L76 HydrophobicContact CG1-CD2 4.2Å; V24-Y80 HydrophobicContact CG1-CE2 4.49Å; V24-Y80 PolarHBondContact O-OH 3.49Å |
| 25 | I | 86.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 178.2 | -64.9 | -75.4 | 0 | 0 | 0 | 111.2 | V21 S22 R27 N28 F29 W59 F62 L76 Y80 L83 | V21-I25 HydrophobicContact CG1-CG1 4.02Å; V21-I25 VanDerWaalsContact O-CG1 3.25Å; V21-I25 WeakPolarHBondContact O-CG1 3.44Å; V21-I25 PolarHBondContact O-N 2.99Å; S22-I25 PolarHBondContact O-N 3.37Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.33Å; I25-N28 PolarHBondContact O-N 3.25Å; I25-F29 WeakPolarHBondContact O-CB 3.44Å; I25-F29 PolarHBondContact O-N 2.85Å; I25-W59 HydrophobicContact CG2-CH2 4.13Å; I25-W59 HydrophobicContact CG2-CZ3 4.04Å; I25-F62 HydrophobicContact CG2-CD1 4.4Å; I25-F62 HydrophobicContact CG2-CE1 3.61Å; I25-F62 HydrophobicContact CG2-CE2 4.24Å; I25-F62 HydrophobicContact CG2-CZ 3.52Å; I25-L76 HydrophobicContact CD1-CD1 3.88Å; I25-L76 HydrophobicContact CG1-CD1 3.91Å; I25-Y80 HydrophobicContact CD1-CD1 3.89Å; I25-Y80 HydrophobicContact CD1-CD2 3.63Å; I25-Y80 HydrophobicContact CD1-CE1 3.84Å; I25-Y80 HydrophobicContact CD1-CE2 3.59Å; I25-Y80 HydrophobicContact CD1-CG 3.74Å; I25-L83 HydrophobicContact CG2-CD2 3.98Å |
| 26 | F | 89.4 | Confident | 82 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 178.7 | -174.7 | -105.1 | 0 | 0 | 0 | 112.5 | S22 N28 F29 G30 F55 W59 Y212 L213 Y246 | S22-F26 WeakPolarHBondContact O-CB 3.18Å; S22-F26 PolarHBondContact O-N 3.18Å; F26-N28 PolarHBondContact O-N 3.46Å; F26-F29 HydrophobicContact CD2-CD1 4.01Å; F26-F29 HydrophobicContact CE2-CD1 4.03Å; F26-F29 HydrophobicContact CE2-CE1 4.32Å; F26-F29 WeakPolarHBondContact O-CB 3.3Å; F26-F29 PolarHBondContact O-N 3.28Å; F26-G30 PolarHBondContact O-N 2.66Å; F26-F55 HydrophobicContact CE2-CE1 4.18Å; F26-F55 HydrophobicContact CE2-CZ 4.16Å; F26-F55 HydrophobicContact CZ-CE1 4.1Å; F26-F55 HydrophobicContact CZ-CZ 4.01Å; F26-W59 HydrophobicContact CB-CH2 3.59Å; F26-W59 HydrophobicContact CB-CZ2 3.94Å; F26-W59 HydrophobicContact CB-CZ3 4.08Å; F26-W59 AromaticContact CD2-CD2 3.62Å; F26-W59 HydrophobicContact CD2-CD2 3.62Å; F26-W59 AromaticContact CD2-CE2 3.57Å; F26-W59 AromaticContact CD2-CE3 3.73Å; F26-W59 HydrophobicContact CD2-CE3 3.73Å; F26-W59 HydrophobicContact CD2-CG 4.32Å; F26-W59 AromaticContact CD2-CH2 3.79Å; F26-W59 HydrophobicContact CD2-CH2 3.79Å; F26-W59 AromaticContact CD2-CZ2 3.67Å; F26-W59 HydrophobicContact CD2-CZ2 3.67Å; F26-W59 AromaticContact CD2-CZ3 3.81Å; F26-W59 HydrophobicContact CD2-CZ3 3.81Å; F26-W59 HydrophobicContact CE2-CD2 4.03Å; F26-W59 HydrophobicContact CE2-CE3 4.38Å; F26-W59 HydrophobicContact CE2-CG 4.26Å; F26-W59 HydrophobicContact CG-CH2 4.2Å; F26-W59 HydrophobicContact CG-CZ2 4.24Å; F26-W59 HydrophobicContact CG-CZ3 4.46Å; F26-Y212 HydrophobicContact CB-CD1 4.45Å; F26-Y212 HydrophobicContact CB-CD2 4.27Å; F26-Y212 HydrophobicContact CB-CG 4.19Å; F26-Y212 HydrophobicContact CD1-CD1 4.08Å; F26-Y212 HydrophobicContact CD1-CG 4.02Å; F26-Y212 HydrophobicContact CD2-CD2 4.47Å; F26-Y212 HydrophobicContact CD2-CG 4.17Å; F26-Y212 HydrophobicContact CE1-CG 4.48Å; F26-Y212 HydrophobicContact CG-CD1 4.25Å; F26-Y212 HydrophobicContact CG-CD2 4.29Å; F26-Y212 AromaticContact CG-CG 3.84Å; F26-Y212 HydrophobicContact CG-CG 3.84Å; F26-Y212 VanDerWaalsContact CZ-O 3.25Å; F26-Y212 WeakPolarHBondContact CZ-O 3.28Å; F26-L213 HydrophobicContact CE2-CD2 4.14Å; F26-Y246 HydrophobicContact CD1-CE1 4.17Å; F26-Y246 HydrophobicContact CE1-CD1 4.42Å; F26-Y246 HydrophobicContact CE1-CE1 4.35Å |
| 27 | R | 78.1 | Confident | 82.6 | Confident | 84 Ų | 84 | 33.5 Ų | 33.5 | 32% | 0.317 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -55.4 | -52.4 | 173.9 | 162.5 | 170 | 76 | -154.5 | 2.3 | 111.8 | S23 I25 G30 R31 V250 | S23-R27 PolarHBondContact O-N 3.43Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.33Å; R27-G30 PolarHBondContact O-N 3.3Å; R27-R31 PolarHBondContact O-N 3.02Å; R27-V250 HydrophobicContact CB-CG1 4.24Å; R27-V250 HydrophobicContact CG-CG1 3.38Å |
| 28 | N | 80.9 | Confident | 82.8 | Confident | 46 Ų | 46 | 28.2 Ų | 28.2 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.4 | -35.4 | -177.3 | -79.9 | 33.3 | 0 | 0 | 0 | 111.1 | V24 I25 F26 G30 R31 S32 Y80 | V24-N28 PolarHBondContact O-N 3.44Å; I25-N28 PolarHBondContact O-N 3.25Å; F26-N28 PolarHBondContact O-N 3.46Å; N28-G30 VanDerWaalsContact C-N 3.26Å; N28-G30 PolarHBondContact O-N 3.33Å; N28-R31 CarbonylContact O-C 3.44Å; N28-R31 PolarHBondContact O-N 2.85Å; N28-S32 PolarHBondContact O-N 2.93Å; N28-S32 PolarHBondContact O-OG 2.93Å; N28-Y80 HydrophobicContact CB-CE1 3.45Å; N28-Y80 VanDerWaalsContact CB-CE1 3.45Å; N28-Y80 WeakPolarHBondContact CB-OH 3.35Å; N28-Y80 PolarHBondContact ND2-OH 3.04Å; N28-Y80 VanDerWaalsContact ND2-OH 3.12Å; N28-Y80 PolarHBondContact OD1-OH 3.4Å |
| 29 | F | 90.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.6 | -47.7 | 169 | 166 | -116.1 | 0 | 0 | 0 | 111.4 | I25 F26 R31 S32 F33 F55 T58 W59 L83 L87 | I25-F29 WeakPolarHBondContact O-CB 3.44Å; I25-F29 PolarHBondContact O-N 2.85Å; F26-F29 HydrophobicContact CD2-CD1 4.01Å; F26-F29 HydrophobicContact CE2-CD1 4.03Å; F26-F29 HydrophobicContact CE2-CE1 4.32Å; F26-F29 WeakPolarHBondContact O-CB 3.3Å; F26-F29 PolarHBondContact O-N 3.28Å; F29-R31 PolarHBondContact O-N 3.2Å; F29-S32 PolarHBondContact O-N 2.89Å; F29-F33 HydrophobicContact CD2-CB 4.35Å; F29-F33 HydrophobicContact CE2-CB 4.04Å; F29-F33 AromaticContact CE2-CD2 3.72Å; F29-F33 HydrophobicContact CE2-CD2 3.72Å; F29-F33 HydrophobicContact CE2-CG 4.24Å; F29-F33 HydrophobicContact CZ-CB 4.43Å; F29-F33 AromaticContact CZ-CD2 3.92Å; F29-F33 HydrophobicContact CZ-CD2 3.92Å; F29-F33 HydrophobicContact CZ-CG 4.38Å; F29-F33 WeakPolarHBondContact O-CB 3.35Å; F29-F33 PolarHBondContact O-N 2.98Å; F29-F55 HydrophobicContact CD1-CE2 4.07Å; F29-F55 AromaticContact CD1-CZ 3.98Å; F29-F55 HydrophobicContact CD1-CZ 3.98Å; F29-F55 HydrophobicContact CE1-CD1 4.11Å; F29-F55 AromaticContact CE1-CD2 3.79Å; F29-F55 HydrophobicContact CE1-CD2 3.79Å; F29-F55 AromaticContact CE1-CE1 3.78Å; F29-F55 HydrophobicContact CE1-CE1 3.78Å; F29-F55 AromaticContact CE1-CE2 3.44Å; F29-F55 HydrophobicContact CE1-CE2 3.44Å; F29-F55 VanDerWaalsContact CE1-CE2 3.44Å; F29-F55 HydrophobicContact CE1-CG 4.12Å; F29-F55 AromaticContact CE1-CZ 3.43Å; F29-F55 HydrophobicContact CE1-CZ 3.43Å; F29-F55 VanDerWaalsContact CE1-CZ 3.43Å; F29-F55 HydrophobicContact CZ-CD1 4.49Å; F29-F55 AromaticContact CZ-CD2 3.81Å; F29-F55 HydrophobicContact CZ-CD2 3.81Å; F29-F55 AromaticContact CZ-CE2 3.9Å; F29-F55 HydrophobicContact CZ-CE2 3.9Å; F29-F55 HydrophobicContact CZ-CG 4.12Å; F29-F55 HydrophobicContact CZ-CZ 4.29Å; F29-F55 WeakPolarHBondContact CZ-O 3.36Å; F29-T58 HydrophobicContact CE2-CG2 3.71Å; F29-T58 HydrophobicContact CZ-CG2 4.38Å; F29-W59 HydrophobicContact CB-CE3 4.12Å; F29-W59 HydrophobicContact CB-CZ3 3.95Å; F29-W59 HydrophobicContact CD1-CB 4.41Å; F29-W59 HydrophobicContact CD1-CD2 4.18Å; F29-W59 AromaticContact CD1-CE3 3.44Å; F29-W59 HydrophobicContact CD1-CE3 3.44Å; F29-W59 VanDerWaalsContact CD1-CE3 3.44Å; F29-W59 HydrophobicContact CD1-CZ3 4.08Å; F29-W59 HydrophobicContact CE1-CB 3.75Å; F29-W59 HydrophobicContact CE1-CD2 4.39Å; F29-W59 AromaticContact CE1-CE3 3.97Å; F29-W59 HydrophobicContact CE1-CE3 3.97Å; F29-W59 HydrophobicContact CE1-CG 4.34Å; F29-W59 AromaticContact CG-CE3 3.76Å; F29-W59 HydrophobicContact CG-CE3 3.76Å; F29-W59 HydrophobicContact CG-CZ3 4.12Å; F29-W59 HydrophobicContact CZ-CB 4.08Å; F29-L83 HydrophobicContact CB-CD1 4Å; F29-L83 HydrophobicContact CB-CD2 3.8Å; F29-L83 HydrophobicContact CD2-CD1 3.8Å; F29-L83 HydrophobicContact CG-CD1 4.19Å; F29-L87 HydrophobicContact CD2-CD2 4.12Å; F29-L87 HydrophobicContact CE2-CD2 4.07Å |
| 30 | G | 83.6 | Confident | 81.2 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F26 R27 N28 G34 M247 | F26-G30 PolarHBondContact O-N 2.66Å; R27-G30 PolarHBondContact O-N 3.3Å; N28-G30 VanDerWaalsContact C-N 3.26Å; N28-G30 PolarHBondContact O-N 3.33Å; G30-G34 PolarHBondContact O-N 3.42Å; G30-M247 WeakPolarHBondContact O-CE 3.33Å |
| 31 | R | 81.1 | Confident | 80.4 | Confident | 124 Ų | 124 | 28.5 Ų | 28.5 | 47% | 0.468 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.5 | -52.9 | 177.2 | 177.4 | 175.7 | 168.5 | 160.2 | -4.6 | 112 | R27 N28 F29 F33 G34 V35 F255 | R27-R31 PolarHBondContact O-N 3.02Å; N28-R31 CarbonylContact O-C 3.44Å; N28-R31 PolarHBondContact O-N 2.85Å; F29-R31 PolarHBondContact O-N 3.2Å; R31-F33 VanDerWaalsContact C-N 3.34Å; R31-F33 PolarHBondContact O-N 3.32Å; R31-G34 PolarHBondContact O-N 3.36Å; R31-V35 PolarHBondContact O-N 3.41Å; R31-F255 PolarHBondContact NH1-O 2.94Å |
| 32 | S | 84.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -38.6 | -177.6 | -44.3 | 0 | 0 | 0 | 0 | 111.5 | N28 F29 V35 L36 N142 | N28-S32 PolarHBondContact O-N 2.93Å; N28-S32 PolarHBondContact O-OG 2.93Å; F29-S32 PolarHBondContact O-N 2.89Å; S32-V35 PolarHBondContact O-N 3.02Å; S32-L36 WeakPolarHBondContact O-CG 3.37Å; S32-L36 PolarHBondContact O-N 3.43Å; S32-N142 PolarHBondContact OG-OD1 3.29Å |
| 33 | F | 88.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -46 | 176.4 | -172.1 | -80.9 | 0 | 0 | 0 | 111.5 | F29 R31 V35 L36 F37 L54 F55 L87 | F29-F33 HydrophobicContact CD2-CB 4.35Å; F29-F33 HydrophobicContact CE2-CB 4.04Å; F29-F33 AromaticContact CE2-CD2 3.72Å; F29-F33 HydrophobicContact CE2-CD2 3.72Å; F29-F33 HydrophobicContact CE2-CG 4.24Å; F29-F33 HydrophobicContact CZ-CB 4.43Å; F29-F33 AromaticContact CZ-CD2 3.92Å; F29-F33 HydrophobicContact CZ-CD2 3.92Å; F29-F33 HydrophobicContact CZ-CG 4.38Å; F29-F33 WeakPolarHBondContact O-CB 3.35Å; F29-F33 PolarHBondContact O-N 2.98Å; R31-F33 VanDerWaalsContact C-N 3.34Å; R31-F33 PolarHBondContact O-N 3.32Å; F33-V35 PolarHBondContact O-N 2.94Å; F33-L36 PolarHBondContact O-N 3.46Å; F33-L36 VanDerWaalsContact O-N 3.14Å; F33-F37 HydrophobicContact CB-CD2 4.5Å; F33-F37 HydrophobicContact CD1-CB 4.13Å; F33-F37 HydrophobicContact CD1-CD2 4Å; F33-F37 AromaticContact CD2-CD2 3.38Å; F33-F37 HydrophobicContact CD2-CD2 3.38Å; F33-F37 AromaticContact CD2-CE2 3.73Å; F33-F37 HydrophobicContact CD2-CE2 3.73Å; F33-F37 HydrophobicContact CD2-CG 4.39Å; F33-F37 HydrophobicContact CE1-CB 3.69Å; F33-F37 AromaticContact CE1-CD2 3.99Å; F33-F37 HydrophobicContact CE1-CD2 3.99Å; F33-F37 HydrophobicContact CE1-CG 4.17Å; F33-F37 HydrophobicContact CE2-CB 4.44Å; F33-F37 AromaticContact CE2-CD2 3.36Å; F33-F37 HydrophobicContact CE2-CD2 3.36Å; F33-F37 AromaticContact CE2-CE2 3.76Å; F33-F37 HydrophobicContact CE2-CE2 3.76Å; F33-F37 HydrophobicContact CE2-CG 4.02Å; F33-F37 AromaticContact CG-CD2 3.72Å; F33-F37 HydrophobicContact CG-CD2 3.72Å; F33-F37 HydrophobicContact CG-CE2 4.41Å; F33-F37 HydrophobicContact CZ-CB 3.87Å; F33-F37 AromaticContact CZ-CD2 3.68Å; F33-F37 HydrophobicContact CZ-CD2 3.68Å; F33-F37 HydrophobicContact CZ-CE2 4.47Å; F33-F37 AromaticContact CZ-CG 3.9Å; F33-F37 HydrophobicContact CZ-CG 3.9Å; F33-F37 PolarHBondContact O-N 3.35Å; F33-L54 HydrophobicContact CE2-CD2 4.36Å; F33-L54 HydrophobicContact CE2-CG 4.26Å; F33-L54 HydrophobicContact CZ-CB 4.09Å; F33-L54 HydrophobicContact CZ-CD2 4.09Å; F33-L54 HydrophobicContact CZ-CG 4.17Å; F33-F55 HydrophobicContact CB-CD2 4.28Å; F33-F55 HydrophobicContact CB-CE2 4.45Å; F33-F55 HydrophobicContact CD1-CB 4.49Å; F33-F55 AromaticContact CD1-CD2 3.65Å; F33-F55 HydrophobicContact CD1-CD2 3.65Å; F33-F55 HydrophobicContact CD1-CE2 4.46Å; F33-F55 HydrophobicContact CD2-CD2 4.18Å; F33-F55 HydrophobicContact CE1-CB 3.96Å; F33-F55 AromaticContact CE1-CD2 3.97Å; F33-F55 HydrophobicContact CE1-CD2 3.97Å; F33-F55 HydrophobicContact CE1-CG 4.49Å; F33-F55 HydrophobicContact CE2-CB 4.17Å; F33-F55 HydrophobicContact CE2-CD2 4.47Å; F33-F55 AromaticContact CG-CD2 3.76Å; F33-F55 HydrophobicContact CG-CD2 3.76Å; F33-F55 HydrophobicContact CG-CE2 4.4Å; F33-F55 HydrophobicContact CZ-CB 3.78Å; F33-F55 HydrophobicContact CZ-CD2 4.37Å; F33-L87 HydrophobicContact CB-CD2 4.41Å; F33-L87 HydrophobicContact CD2-CD2 4.27Å |
| 34 | G | 83.1 | Confident | 76.7 | Confident | 26 Ų | 26 | 46 Ų | 46 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.8 | -16.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | G30 R31 | G30-G34 PolarHBondContact O-N 3.42Å; R31-G34 PolarHBondContact O-N 3.36Å |
| 35 | V | 83.8 | Confident | 75.8 | Confident | 50 Ų | 50 | 44 Ų | 44 | 30% | 0.303 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -80.3 | -37.4 | 171.2 | 172 | 0 | 0 | 0 | 0 | 111.4 | R31 S32 F33 N104 Q107 | R31-V35 PolarHBondContact O-N 3.41Å; S32-V35 PolarHBondContact O-N 3.02Å; F33-V35 PolarHBondContact O-N 2.94Å; V35-N104 WeakPolarHBondContact O-CB 3.5Å; V35-N104 PolarHBondContact O-ND2 2.98Å; V35-Q107 HydrophobicContact CG1-CG 4.4Å |
| 36 | L | 85.7 | Confident | 74.8 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -88.9 | -35.5 | -173.3 | -59.5 | 177.3 | 0 | 0 | 0 | 113.8 | S32 F33 L87 L91 N104 Q107 I138 | S32-L36 WeakPolarHBondContact O-CG 3.37Å; S32-L36 PolarHBondContact O-N 3.43Å; F33-L36 PolarHBondContact O-N 3.46Å; F33-L36 VanDerWaalsContact O-N 3.14Å; L36-L87 HydrophobicContact CD1-CB 3.92Å; L36-L87 HydrophobicContact CD1-CD2 4.21Å; L36-L87 HydrophobicContact CD1-CG 4.45Å; L36-L91 HydrophobicContact CD2-CD2 4.19Å; L36-N104 PolarHBondContact O-N 2.87Å; L36-Q107 VanDerWaalsContact CD2-CD 3.4Å; L36-Q107 HydrophobicContact CD2-CG 4.22Å; L36-Q107 VanDerWaalsContact CD2-NE2 3.26Å; L36-I138 HydrophobicContact CD1-CD1 3.88Å; L36-I138 HydrophobicContact CD1-CG1 3.92Å; L36-I138 HydrophobicContact CD2-CG1 3.98Å |
| 37 | F | 87.9 | Confident | 73.7 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -118.9 | 139.1 | -168.9 | -56.6 | -72.6 | 0 | 0 | 0 | 111.9 | F33 L54 L87 T90 L91 V94 L102 | F33-F37 HydrophobicContact CB-CD2 4.5Å; F33-F37 HydrophobicContact CD1-CB 4.13Å; F33-F37 HydrophobicContact CD1-CD2 4Å; F33-F37 AromaticContact CD2-CD2 3.38Å; F33-F37 HydrophobicContact CD2-CD2 3.38Å; F33-F37 AromaticContact CD2-CE2 3.73Å; F33-F37 HydrophobicContact CD2-CE2 3.73Å; F33-F37 HydrophobicContact CD2-CG 4.39Å; F33-F37 HydrophobicContact CE1-CB 3.69Å; F33-F37 AromaticContact CE1-CD2 3.99Å; F33-F37 HydrophobicContact CE1-CD2 3.99Å; F33-F37 HydrophobicContact CE1-CG 4.17Å; F33-F37 HydrophobicContact CE2-CB 4.44Å; F33-F37 AromaticContact CE2-CD2 3.36Å; F33-F37 HydrophobicContact CE2-CD2 3.36Å; F33-F37 AromaticContact CE2-CE2 3.76Å; F33-F37 HydrophobicContact CE2-CE2 3.76Å; F33-F37 HydrophobicContact CE2-CG 4.02Å; F33-F37 AromaticContact CG-CD2 3.72Å; F33-F37 HydrophobicContact CG-CD2 3.72Å; F33-F37 HydrophobicContact CG-CE2 4.41Å; F33-F37 HydrophobicContact CZ-CB 3.87Å; F33-F37 AromaticContact CZ-CD2 3.68Å; F33-F37 HydrophobicContact CZ-CD2 3.68Å; F33-F37 HydrophobicContact CZ-CE2 4.47Å; F33-F37 AromaticContact CZ-CG 3.9Å; F33-F37 HydrophobicContact CZ-CG 3.9Å; F33-F37 PolarHBondContact O-N 3.35Å; F37-L54 HydrophobicContact CB-CD2 4.5Å; F37-L54 HydrophobicContact CD1-CD2 3.51Å; F37-L54 HydrophobicContact CE1-CD2 3.78Å; F37-L54 HydrophobicContact CG-CD2 3.93Å; F37-L54 HydrophobicContact CZ-CD2 4.39Å; F37-L87 HydrophobicContact CE2-CD2 4.16Å; F37-T90 HydrophobicContact CE1-CG2 4.18Å; F37-T90 HydrophobicContact CZ-CG2 3.78Å; F37-L91 HydrophobicContact CD1-CD1 4.48Å; F37-L91 HydrophobicContact CE1-CB 4.07Å; F37-L91 HydrophobicContact CE1-CD1 3.83Å; F37-L91 HydrophobicContact CZ-CB 3.88Å; F37-L91 HydrophobicContact CZ-CD1 4.38Å; F37-V94 HydrophobicContact CD1-CG2 4.41Å; F37-V94 HydrophobicContact CE1-CG2 3.93Å; F37-L102 CarbonylContact C-O 3.55Å; F37-L102 WeakPolarHBondContact CA-O 3.11Å; F37-L102 WeakPolarHBondContact CB-O 3.41Å; F37-L102 WeakPolarHBondContact CD1-O 3.5Å |
| 38 | S | 78.3 | Confident | 73.7 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | trans | -88.4 | 153.4 | 175.8 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | D101 L102 I103 | S38-D101 VanDerWaalsContact OG-C 3.3Å; S38-D101 PolarHBondContact OG-O 3.2Å; S38-L102 PolarHBondContact N-O 3.1Å; S38-L102 WeakPolarHBondContact OG-CA 3.43Å; S38-I103 PolarHBondContact OG-N 3.32Å; S38-I103 VanDerWaalsContact OG-N 3.12Å; S38-I103 PolarHBondContact OG-O 3.13Å | ||
| 39 | D | 67.8 | Low | 73.9 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | trans | -69 | 146.7 | 165.4 | -173.6 | 24 | 0 | 0 | 0 | 111.8 | P236 V237 | D39-P236 HydrophobicContact CB-CB 4.28Å; D39-P236 HydrophobicContact CB-CG 4.46Å; D39-P236 WeakPolarHBondContact OD1-CA 3.44Å; D39-P236 VanDerWaalsContact OD1-CB 3.3Å; D39-P236 WeakPolarHBondContact OD1-CB 3.27Å; D39-V237 VanDerWaalsContact CG-N 3.27Å; D39-V237 PolarHBondContact OD1-N 2.86Å; D39-V237 VanDerWaalsContact OD1-N 3.15Å; D39-V237 WeakPolarHBondContact OD2-CB 3.4Å; D39-V237 VanDerWaalsContact OD2-CG2 3.27Å; D39-V237 WeakPolarHBondContact OD2-CG2 3.09Å; D39-V237 PolarHBondContact OD2-N 2.72Å | ||
| 40 | T | 60.8 | Low | 73.7 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | trans | -149.2 | 124.7 | 170.7 | 3 | 0 | 0 | 0 | 0 | 110.6 | T44 D101 L102 | T40-T44 WeakPolarHBondContact CG2-OG1 3.43Å; T40-D101 HydrophobicContact CG2-CB 3.84Å; T40-D101 WeakPolarHBondContact CG2-O 3.36Å; T40-D101 PolarHBondContact OG1-O 3.22Å; T40-D101 VanDerWaalsContact OG1-O 3.07Å; T40-L102 WeakPolarHBondContact OG1-CD2 3.36Å | ||
| 41 | D | 56.7 | Low | 73.7 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 46% | 0.46 | 28% | 0.277 | S | S | . | . | trans | -67.1 | 149.5 | 174.5 | -74.3 | -50.7 | 0 | 0 | 0 | 112.4 | E43 T44 S45 | D41-E43 PolarHBondContact O-N 3.39Å; D41-E43 VanDerWaalsContact O-N 3.12Å; D41-T44 PolarHBondContact O-N 3.18Å; D41-T44 PolarHBondContact O-OG1 3.36Å; D41-S45 PolarHBondContact O-N 3.42Å | ||
| 42 | Y | 54.8 | Low | 73.8 | Confident | 127 Ų | 127 | 50.8 Ų | 50.8 | 50% | 0.498 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.7 | -31 | -177.2 | -156.6 | -89.3 | 0 | 0 | 0 | 113.4 | T44 S45 M47 T50 | Y42-T44 VanDerWaalsContact C-N 3.34Å; Y42-T44 PolarHBondContact O-N 3.17Å; Y42-S45 PolarHBondContact O-N 2.74Å; Y42-S45 PolarHBondContact O-OG 2.65Å; Y42-M47 HydrophobicContact CE1-CE 4.21Å; Y42-M47 HydrophobicContact CE1-SD 4.02Å; Y42-T50 HydrophobicContact CD2-CG2 3.66Å; Y42-T50 HydrophobicContact CE2-CG2 4.38Å; Y42-T50 HydrophobicContact CG-CG2 4.4Å |
| 43 | E | 53.3 | Low | 74.1 | Confident | 188 Ų | 188 | 52.4 Ų | 52.4 | 88% | 0.879 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.8 | -33 | 176.9 | -63.3 | -165.1 | 166.1 | 0 | 0 | 113 | D41 | D41-E43 PolarHBondContact O-N 3.39Å; D41-E43 VanDerWaalsContact O-N 3.12Å |
| 44 | T | 57.3 | Low | 74.3 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -82.8 | -20.7 | 179.1 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | T40 D41 Y42 Q46 | T40-T44 WeakPolarHBondContact CG2-OG1 3.43Å; D41-T44 PolarHBondContact O-N 3.18Å; D41-T44 PolarHBondContact O-OG1 3.36Å; Y42-T44 VanDerWaalsContact C-N 3.34Å; Y42-T44 PolarHBondContact O-N 3.17Å; T44-Q46 VanDerWaalsContact C-N 3.34Å; T44-Q46 PolarHBondContact O-N 2.93Å |
| 45 | S | 59.4 | Low | 74.7 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.7 | -15.3 | -176.4 | 82.5 | 0 | 0 | 0 | 0 | 115.1 | D41 Y42 R48 | D41-S45 PolarHBondContact O-N 3.42Å; Y42-S45 PolarHBondContact O-N 2.74Å; Y42-S45 PolarHBondContact O-OG 2.65Å; S45-R48 WeakPolarHBondContact CB-O 3.4Å; S45-R48 VanDerWaalsContact O-CB 3.3Å; S45-R48 WeakPolarHBondContact O-CB 3.25Å; S45-R48 PolarHBondContact O-N 3.22Å; S45-R48 PolarHBondContact OG-O 2.92Å |
| 46 | Q | 65.9 | Low | 75.1 | Confident | 146 Ų | 146 | 52.4 Ų | 52.4 | 68% | 0.682 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 50.1 | -177.8 | -55.8 | -179.8 | -8.3 | 0 | 0 | 113.8 | T44 R48 | T44-Q46 VanDerWaalsContact C-N 3.34Å; T44-Q46 PolarHBondContact O-N 2.93Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.98Å |
| 47 | M | 65.7 | Low | 75.5 | Confident | 132 Ų | 132 | 52.2 Ų | 52.2 | 65% | 0.65 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 60.3 | 35.5 | -178.2 | -58.9 | -81.7 | 164.4 | 0 | 0 | 113.1 | Y42 Q183 | Y42-M47 HydrophobicContact CE1-CE 4.21Å; Y42-M47 HydrophobicContact CE1-SD 4.02Å; M47-Q183 WeakPolarHBondContact O-CG 3.26Å; M47-Q183 PolarHBondContact O-OE1 2.76Å |
| 48 | R | 78.8 | Confident | 75.9 | Confident | 116 Ų | 116 | 51.9 Ų | 51.9 | 44% | 0.438 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -117.4 | 165.9 | 171.9 | -61.5 | -177.7 | 172.7 | 138.2 | -2.6 | 110.5 | S45 Q46 T50 Q183 | S45-R48 WeakPolarHBondContact CB-O 3.4Å; S45-R48 VanDerWaalsContact O-CB 3.3Å; S45-R48 WeakPolarHBondContact O-CB 3.25Å; S45-R48 PolarHBondContact O-N 3.22Å; S45-R48 PolarHBondContact OG-O 2.92Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.98Å; R48-T50 PolarHBondContact O-N 3.46Å; R48-Q183 VanDerWaalsContact CA-OE1 3.25Å |
| 49 | P | 85 | Confident | 76.8 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | trans | -57 | 133.8 | -178.6 | -26 | 36.4 | 0 | 0 | 0 | 112.2 | D53 R99 L181 Q183 F186 | P49-D53 HydrophobicContact CB-CB 4.22Å; P49-R99 VanDerWaalsContact O-CZ 3.28Å; P49-R99 PolarHBondContact O-NH1 3.35Å; P49-R99 PolarHBondContact O-NH2 3.07Å; P49-L181 WeakPolarHBondContact CD-O 3.42Å; P49-Q183 VanDerWaalsContact CD-OE1 3.26Å; P49-F186 HydrophobicContact CB-CD1 3.92Å; P49-F186 HydrophobicContact CB-CD2 4.16Å; P49-F186 HydrophobicContact CB-CE1 3.85Å; P49-F186 HydrophobicContact CB-CE2 4.09Å; P49-F186 HydrophobicContact CB-CG 4.06Å; P49-F186 HydrophobicContact CB-CZ 3.92Å; P49-F186 HydrophobicContact CG-CB 3.68Å; P49-F186 HydrophobicContact CG-CD1 3.48Å; P49-F186 VanDerWaalsContact CG-CD1 3.48Å; P49-F186 HydrophobicContact CG-CD2 3.71Å; P49-F186 HydrophobicContact CG-CE1 3.97Å; P49-F186 HydrophobicContact CG-CE2 4.16Å; P49-F186 HydrophobicContact CG-CG 3.32Å; P49-F186 HydrophobicContact CG-CZ 4.27Å | ||
| 50 | T | 85.4 | Confident | 78.1 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | trans | -86.7 | 172.4 | 177.3 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | Y42 R48 S52 D53 L54 | Y42-T50 HydrophobicContact CD2-CG2 3.66Å; Y42-T50 HydrophobicContact CE2-CG2 4.38Å; Y42-T50 HydrophobicContact CG-CG2 4.4Å; R48-T50 PolarHBondContact O-N 3.46Å; T50-S52 PolarHBondContact O-N 3.32Å; T50-S52 PolarHBondContact OG1-N 3.33Å; T50-D53 WeakPolarHBondContact CB-OD2 3.28Å; T50-D53 PolarHBondContact N-OD2 3.36Å; T50-D53 PolarHBondContact O-N 3.44Å; T50-D53 VanDerWaalsContact O-N 3.08Å; T50-D53 VanDerWaalsContact OG1-CG 3.28Å; T50-D53 PolarHBondContact OG1-N 3.05Å; T50-D53 PolarHBondContact OG1-OD2 3.39Å; T50-L54 WeakPolarHBondContact O-CB 3.43Å; T50-L54 PolarHBondContact O-N 3.26Å | ||
| 51 | G | 84.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.5 | -32.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | F55 L102 | G51-F55 WeakPolarHBondContact O-CB 3.43Å; G51-F55 PolarHBondContact O-N 2.96Å; G51-L102 VanDerWaalsContact N-CD2 3.25Å |
| 52 | S | 83.8 | Confident | 81.6 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.1 | -37.7 | 174.9 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | T50 F55 R56 G238 | T50-S52 PolarHBondContact O-N 3.32Å; T50-S52 PolarHBondContact OG1-N 3.33Å; S52-F55 WeakPolarHBondContact O-CB 3.45Å; S52-F55 PolarHBondContact O-N 3.5Å; S52-R56 WeakPolarHBondContact O-CG 3.35Å; S52-R56 PolarHBondContact O-N 3.08Å; S52-R56 VanDerWaalsContact O-N 3.14Å; S52-R56 VanDerWaalsContact OG-CZ 3.27Å; S52-R56 PolarHBondContact OG-NH1 3.28Å; S52-R56 PolarHBondContact OG-NH2 3.35Å; S52-G238 WeakPolarHBondContact CB-O 3.32Å; S52-G238 PolarHBondContact OG-O 3.12Å |
| 53 | D | 89.8 | Confident | 83.4 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.5 | -38.1 | 176.3 | -54.1 | -48.2 | 0 | 0 | 0 | 111.3 | P49 T50 F55 R56 F57 F186 | P49-D53 HydrophobicContact CB-CB 4.22Å; T50-D53 WeakPolarHBondContact CB-OD2 3.28Å; T50-D53 PolarHBondContact N-OD2 3.36Å; T50-D53 PolarHBondContact O-N 3.44Å; T50-D53 VanDerWaalsContact O-N 3.08Å; T50-D53 VanDerWaalsContact OG1-CG 3.28Å; T50-D53 PolarHBondContact OG1-N 3.05Å; T50-D53 PolarHBondContact OG1-OD2 3.39Å; D53-F55 VanDerWaalsContact C-N 3.31Å; D53-F55 PolarHBondContact O-N 3.49Å; D53-R56 PolarHBondContact O-N 3.16Å; D53-R56 IonicContact OD1-NH1 3.25Å; D53-R56 PolarHBondContact OD1-NH1 3.13Å; D53-F57 VanDerWaalsContact O-CB 3.29Å; D53-F57 WeakPolarHBondContact O-CB 3.34Å; D53-F57 PolarHBondContact O-N 2.94Å; D53-F186 HydrophobicContact CB-CE1 3.93Å; D53-F186 HydrophobicContact CB-CZ 4.13Å |
| 54 | L | 92.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -36.7 | 173.3 | -165.3 | 74.8 | 0 | 0 | 0 | 112 | F33 F37 T50 T58 T90 V94 L102 L181 | F33-L54 HydrophobicContact CE2-CD2 4.36Å; F33-L54 HydrophobicContact CE2-CG 4.26Å; F33-L54 HydrophobicContact CZ-CB 4.09Å; F33-L54 HydrophobicContact CZ-CD2 4.09Å; F33-L54 HydrophobicContact CZ-CG 4.17Å; F37-L54 HydrophobicContact CB-CD2 4.5Å; F37-L54 HydrophobicContact CD1-CD2 3.51Å; F37-L54 HydrophobicContact CE1-CD2 3.78Å; F37-L54 HydrophobicContact CG-CD2 3.93Å; F37-L54 HydrophobicContact CZ-CD2 4.39Å; T50-L54 WeakPolarHBondContact O-CB 3.43Å; T50-L54 PolarHBondContact O-N 3.26Å; L54-T58 WeakPolarHBondContact O-CB 3.35Å; L54-T58 PolarHBondContact O-N 2.99Å; L54-T58 PolarHBondContact O-OG1 3.06Å; L54-T90 HydrophobicContact CD1-CG2 3.49Å; L54-T90 VanDerWaalsContact CD1-CG2 3.49Å; L54-T90 HydrophobicContact CD2-CG2 4.07Å; L54-T90 HydrophobicContact CG-CG2 3.75Å; L54-V94 HydrophobicContact CD1-CG2 3.95Å; L54-V94 HydrophobicContact CD2-CG2 3.67Å; L54-V94 HydrophobicContact CG-CG2 4.47Å; L54-L102 HydrophobicContact CD2-CB 4.5Å; L54-L102 HydrophobicContact CD2-CD1 4.42Å; L54-L181 HydrophobicContact CD1-CD2 3.97Å |
| 55 | F | 92.2 | Very high | 86.9 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -52.2 | 172.9 | -176.2 | -88.2 | 0 | 0 | 0 | 111.3 | F26 F29 F33 G51 S52 D53 F57 T58 W59 L213 L239 M247 | F26-F55 HydrophobicContact CE2-CE1 4.18Å; F26-F55 HydrophobicContact CE2-CZ 4.16Å; F26-F55 HydrophobicContact CZ-CE1 4.1Å; F26-F55 HydrophobicContact CZ-CZ 4.01Å; F29-F55 HydrophobicContact CD1-CE2 4.07Å; F29-F55 AromaticContact CD1-CZ 3.98Å; F29-F55 HydrophobicContact CD1-CZ 3.98Å; F29-F55 HydrophobicContact CE1-CD1 4.11Å; F29-F55 AromaticContact CE1-CD2 3.79Å; F29-F55 HydrophobicContact CE1-CD2 3.79Å; F29-F55 AromaticContact CE1-CE1 3.78Å; F29-F55 HydrophobicContact CE1-CE1 3.78Å; F29-F55 AromaticContact CE1-CE2 3.44Å; F29-F55 HydrophobicContact CE1-CE2 3.44Å; F29-F55 VanDerWaalsContact CE1-CE2 3.44Å; F29-F55 HydrophobicContact CE1-CG 4.12Å; F29-F55 AromaticContact CE1-CZ 3.43Å; F29-F55 HydrophobicContact CE1-CZ 3.43Å; F29-F55 VanDerWaalsContact CE1-CZ 3.43Å; F29-F55 HydrophobicContact CZ-CD1 4.49Å; F29-F55 AromaticContact CZ-CD2 3.81Å; F29-F55 HydrophobicContact CZ-CD2 3.81Å; F29-F55 AromaticContact CZ-CE2 3.9Å; F29-F55 HydrophobicContact CZ-CE2 3.9Å; F29-F55 HydrophobicContact CZ-CG 4.12Å; F29-F55 HydrophobicContact CZ-CZ 4.29Å; F29-F55 WeakPolarHBondContact CZ-O 3.36Å; F33-F55 HydrophobicContact CB-CD2 4.28Å; F33-F55 HydrophobicContact CB-CE2 4.45Å; F33-F55 HydrophobicContact CD1-CB 4.49Å; F33-F55 AromaticContact CD1-CD2 3.65Å; F33-F55 HydrophobicContact CD1-CD2 3.65Å; F33-F55 HydrophobicContact CD1-CE2 4.46Å; F33-F55 HydrophobicContact CD2-CD2 4.18Å; F33-F55 HydrophobicContact CE1-CB 3.96Å; F33-F55 AromaticContact CE1-CD2 3.97Å; F33-F55 HydrophobicContact CE1-CD2 3.97Å; F33-F55 HydrophobicContact CE1-CG 4.49Å; F33-F55 HydrophobicContact CE2-CB 4.17Å; F33-F55 HydrophobicContact CE2-CD2 4.47Å; F33-F55 AromaticContact CG-CD2 3.76Å; F33-F55 HydrophobicContact CG-CD2 3.76Å; F33-F55 HydrophobicContact CG-CE2 4.4Å; F33-F55 HydrophobicContact CZ-CB 3.78Å; F33-F55 HydrophobicContact CZ-CD2 4.37Å; G51-F55 WeakPolarHBondContact O-CB 3.43Å; G51-F55 PolarHBondContact O-N 2.96Å; S52-F55 WeakPolarHBondContact O-CB 3.45Å; S52-F55 PolarHBondContact O-N 3.5Å; D53-F55 VanDerWaalsContact C-N 3.31Å; D53-F55 PolarHBondContact O-N 3.49Å; F55-F57 VanDerWaalsContact C-N 3.35Å; F55-F57 PolarHBondContact O-N 3.19Å; F55-T58 PolarHBondContact O-N 2.96Å; F55-W59 PolarHBondContact O-N 3.43Å; F55-L213 HydrophobicContact CD1-CD2 4Å; F55-L213 HydrophobicContact CE1-CD2 3.76Å; F55-L239 HydrophobicContact CD1-CD2 3.93Å; F55-L239 HydrophobicContact CE1-CD2 4.16Å; F55-L239 HydrophobicContact CG-CD2 4.18Å; F55-M247 HydrophobicContact CE2-CE 4.44Å; F55-M247 HydrophobicContact CE2-SD 4.12Å; F55-M247 HydrophobicContact CZ-SD 4.12Å |
| 56 | R | 91.5 | Very high | 88.3 | Confident | 75 Ų | 75 | 26.1 Ų | 26.1 | 28% | 0.283 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 176.5 | -67.6 | 175.7 | -170.9 | 102.7 | 13.6 | 111.7 | S52 D53 W59 L60 L213 G238 | S52-R56 WeakPolarHBondContact O-CG 3.35Å; S52-R56 PolarHBondContact O-N 3.08Å; S52-R56 VanDerWaalsContact O-N 3.14Å; S52-R56 VanDerWaalsContact OG-CZ 3.27Å; S52-R56 PolarHBondContact OG-NH1 3.28Å; S52-R56 PolarHBondContact OG-NH2 3.35Å; D53-R56 PolarHBondContact O-N 3.16Å; D53-R56 IonicContact OD1-NH1 3.25Å; D53-R56 PolarHBondContact OD1-NH1 3.13Å; R56-W59 PolarHBondContact O-N 3.32Å; R56-L60 VanDerWaalsContact O-CB 3.29Å; R56-L60 WeakPolarHBondContact O-CB 3.47Å; R56-L60 PolarHBondContact O-N 3.05Å; R56-L213 HydrophobicContact CB-CD1 4.27Å; R56-L213 HydrophobicContact CG-CD1 4.34Å; R56-G238 PolarHBondContact NH2-O 3.38Å |
| 57 | F | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 178.1 | 169.6 | -98.7 | 0 | 0 | 0 | 112.2 | D53 F55 L60 L61 W89 L180 F186 T189 I190 L193 | D53-F57 VanDerWaalsContact O-CB 3.29Å; D53-F57 WeakPolarHBondContact O-CB 3.34Å; D53-F57 PolarHBondContact O-N 2.94Å; F55-F57 VanDerWaalsContact C-N 3.35Å; F55-F57 PolarHBondContact O-N 3.19Å; F57-L60 PolarHBondContact O-N 2.7Å; F57-L61 HydrophobicContact CE1-CD2 4.19Å; F57-L61 HydrophobicContact CZ-CB 4.5Å; F57-L61 HydrophobicContact CZ-CD2 4.17Å; F57-L61 WeakPolarHBondContact O-CB 3.49Å; F57-L61 PolarHBondContact O-N 3.07Å; F57-W89 AromaticContact CE1-CZ3 3.95Å; F57-W89 HydrophobicContact CE1-CZ3 3.95Å; F57-W89 HydrophobicContact CZ-CH2 4.47Å; F57-W89 AromaticContact CZ-CZ3 3.78Å; F57-W89 HydrophobicContact CZ-CZ3 3.78Å; F57-L180 HydrophobicContact CE1-CD2 4.11Å; F57-L180 HydrophobicContact CZ-CD2 3.98Å; F57-F186 HydrophobicContact CB-CE2 3.93Å; F57-F186 HydrophobicContact CB-CZ 3.63Å; F57-F186 HydrophobicContact CD1-CE2 4.35Å; F57-F186 HydrophobicContact CD2-CE2 4.2Å; F57-F186 HydrophobicContact CD2-CZ 4.49Å; F57-F186 AromaticContact CG-CE2 3.87Å; F57-F186 HydrophobicContact CG-CE2 3.87Å; F57-F186 HydrophobicContact CG-CZ 4.09Å; F57-T189 HydrophobicContact CE2-CG2 3.83Å; F57-I190 HydrophobicContact CB-CD1 4.47Å; F57-L193 HydrophobicContact CD2-CD1 4.36Å; F57-L193 HydrophobicContact CE2-CD1 3.77Å |
| 58 | T | 96 | Very high | 90.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | -177.6 | -54 | 0 | 0 | 0 | 0 | 111.7 | F29 L54 F55 F62 C86 L87 T90 | F29-T58 HydrophobicContact CE2-CG2 3.71Å; F29-T58 HydrophobicContact CZ-CG2 4.38Å; L54-T58 WeakPolarHBondContact O-CB 3.35Å; L54-T58 PolarHBondContact O-N 2.99Å; L54-T58 PolarHBondContact O-OG1 3.06Å; F55-T58 PolarHBondContact O-N 2.96Å; T58-F62 WeakPolarHBondContact O-CB 3.41Å; T58-F62 PolarHBondContact O-N 3.41Å; T58-C86 HydrophobicContact CG2-CB 4.49Å; T58-L87 HydrophobicContact CG2-CD2 4.07Å; T58-T90 WeakPolarHBondContact OG1-CG2 3.3Å; T58-T90 PolarHBondContact OG1-OG1 2.93Å |
| 59 | W | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 171.7 | -172.1 | -113.2 | 0 | 0 | 0 | 112 | I25 F26 F29 F55 R56 L61 F62 I63 E209 Y212 L213 | I25-W59 HydrophobicContact CG2-CH2 4.13Å; I25-W59 HydrophobicContact CG2-CZ3 4.04Å; F26-W59 HydrophobicContact CB-CH2 3.59Å; F26-W59 HydrophobicContact CB-CZ2 3.94Å; F26-W59 HydrophobicContact CB-CZ3 4.08Å; F26-W59 AromaticContact CD2-CD2 3.62Å; F26-W59 HydrophobicContact CD2-CD2 3.62Å; F26-W59 AromaticContact CD2-CE2 3.57Å; F26-W59 AromaticContact CD2-CE3 3.73Å; F26-W59 HydrophobicContact CD2-CE3 3.73Å; F26-W59 HydrophobicContact CD2-CG 4.32Å; F26-W59 AromaticContact CD2-CH2 3.79Å; F26-W59 HydrophobicContact CD2-CH2 3.79Å; F26-W59 AromaticContact CD2-CZ2 3.67Å; F26-W59 HydrophobicContact CD2-CZ2 3.67Å; F26-W59 AromaticContact CD2-CZ3 3.81Å; F26-W59 HydrophobicContact CD2-CZ3 3.81Å; F26-W59 HydrophobicContact CE2-CD2 4.03Å; F26-W59 HydrophobicContact CE2-CE3 4.38Å; F26-W59 HydrophobicContact CE2-CG 4.26Å; F26-W59 HydrophobicContact CG-CH2 4.2Å; F26-W59 HydrophobicContact CG-CZ2 4.24Å; F26-W59 HydrophobicContact CG-CZ3 4.46Å; F29-W59 HydrophobicContact CB-CE3 4.12Å; F29-W59 HydrophobicContact CB-CZ3 3.95Å; F29-W59 HydrophobicContact CD1-CB 4.41Å; F29-W59 HydrophobicContact CD1-CD2 4.18Å; F29-W59 AromaticContact CD1-CE3 3.44Å; F29-W59 HydrophobicContact CD1-CE3 3.44Å; F29-W59 VanDerWaalsContact CD1-CE3 3.44Å; F29-W59 HydrophobicContact CD1-CZ3 4.08Å; F29-W59 HydrophobicContact CE1-CB 3.75Å; F29-W59 HydrophobicContact CE1-CD2 4.39Å; F29-W59 AromaticContact CE1-CE3 3.97Å; F29-W59 HydrophobicContact CE1-CE3 3.97Å; F29-W59 HydrophobicContact CE1-CG 4.34Å; F29-W59 AromaticContact CG-CE3 3.76Å; F29-W59 HydrophobicContact CG-CE3 3.76Å; F29-W59 HydrophobicContact CG-CZ3 4.12Å; F29-W59 HydrophobicContact CZ-CB 4.08Å; F55-W59 PolarHBondContact O-N 3.43Å; R56-W59 PolarHBondContact O-N 3.32Å; W59-L61 VanDerWaalsContact C-N 3.32Å; W59-L61 PolarHBondContact O-N 3.13Å; W59-F62 HydrophobicContact CD2-CD1 4.42Å; W59-F62 AromaticContact CE3-CD1 3.83Å; W59-F62 HydrophobicContact CE3-CD1 3.83Å; W59-F62 AromaticContact CH2-CD1 3.79Å; W59-F62 HydrophobicContact CH2-CD1 3.79Å; W59-F62 AromaticContact CH2-CE1 3.75Å; W59-F62 HydrophobicContact CH2-CE1 3.75Å; W59-F62 HydrophobicContact CZ2-CD1 4.37Å; W59-F62 HydrophobicContact CZ2-CE1 4.47Å; W59-F62 AromaticContact CZ3-CD1 3.49Å; W59-F62 HydrophobicContact CZ3-CD1 3.49Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.49Å; W59-F62 AromaticContact CZ3-CE1 3.83Å; W59-F62 HydrophobicContact CZ3-CE1 3.83Å; W59-F62 HydrophobicContact CZ3-CG 4.42Å; W59-F62 WeakPolarHBondContact O-CB 3.38Å; W59-F62 PolarHBondContact O-N 2.9Å; W59-F62 VanDerWaalsContact O-N 3.16Å; W59-I63 HydrophobicContact CD2-CG2 4.12Å; W59-I63 HydrophobicContact CG-CG2 4.5Å; W59-I63 HydrophobicContact CH2-CG2 4.45Å; W59-I63 HydrophobicContact CZ2-CG2 3.76Å; W59-I63 PolarHBondContact O-N 2.86Å; W59-E209 PolarHBondContact NE1-O 3.38Å; W59-Y212 AromaticContact CZ2-CD2 3.83Å; W59-Y212 HydrophobicContact CZ2-CD2 3.83Å; W59-Y212 HydrophobicContact CZ2-CE2 4.37Å; W59-L213 HydrophobicContact CB-CD1 4.37Å; W59-L213 HydrophobicContact CB-CD2 3.98Å; W59-L213 HydrophobicContact CG-CD1 4.46Å; W59-L213 HydrophobicContact CG-CD2 4.05Å; W59-L213 HydrophobicContact CG-CG 4.34Å |
| 60 | L | 95.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.6 | -178.5 | 62.9 | 0 | 0 | 0 | 111.9 | R56 F57 I63 K64 I190 L193 N194 | R56-L60 VanDerWaalsContact O-CB 3.29Å; R56-L60 WeakPolarHBondContact O-CB 3.47Å; R56-L60 PolarHBondContact O-N 3.05Å; F57-L60 PolarHBondContact O-N 2.7Å; L60-I63 HydrophobicContact CD1-CD1 4.18Å; L60-I63 HydrophobicContact CD1-CG1 4.39Å; L60-I63 WeakPolarHBondContact O-CG1 3.3Å; L60-K64 WeakPolarHBondContact O-CB 3.44Å; L60-K64 PolarHBondContact O-N 2.87Å; L60-I190 HydrophobicContact CD2-CG1 3.9Å; L60-L193 HydrophobicContact CD2-CB 3.68Å; L60-L193 HydrophobicContact CG-CB 3.97Å; L60-N194 HydrophobicContact CD2-CB 4.41Å; L60-N194 VanDerWaalsContact CD2-ND2 3.33Å; L60-N194 WeakPolarHBondContact CD2-ND2 3.26Å |
| 61 | L | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 174.6 | 178.9 | 60.1 | 0 | 0 | 0 | 111.4 | F57 W59 S65 W89 M161 L164 I170 | F57-L61 HydrophobicContact CE1-CD2 4.19Å; F57-L61 HydrophobicContact CZ-CB 4.5Å; F57-L61 HydrophobicContact CZ-CD2 4.17Å; F57-L61 WeakPolarHBondContact O-CB 3.49Å; F57-L61 PolarHBondContact O-N 3.07Å; W59-L61 VanDerWaalsContact C-N 3.32Å; W59-L61 PolarHBondContact O-N 3.13Å; L61-S65 VanDerWaalsContact O-CB 3.31Å; L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 3.12Å; L61-S65 PolarHBondContact O-OG 3.39Å; L61-W89 HydrophobicContact CD2-CD2 4.49Å; L61-W89 HydrophobicContact CD2-CE3 3.68Å; L61-W89 HydrophobicContact CD2-CZ3 3.95Å; L61-M161 HydrophobicContact CD1-CE 3.68Å; L61-M161 HydrophobicContact CD1-SD 3.83Å; L61-M161 HydrophobicContact CD2-CE 3.99Å; L61-M161 HydrophobicContact CG-CE 4.45Å; L61-L164 HydrophobicContact CD1-CD1 4.27Å; L61-I170 HydrophobicContact CD1-CD1 4.49Å |
| 62 | F | 95.2 | Very high | 87 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61 | -55.5 | 175.9 | 167.5 | -102.9 | 0 | 0 | 0 | 112.1 | I25 T58 W59 K64 S65 R66 S79 L82 L83 C86 | I25-F62 HydrophobicContact CG2-CD1 4.4Å; I25-F62 HydrophobicContact CG2-CE1 3.61Å; I25-F62 HydrophobicContact CG2-CE2 4.24Å; I25-F62 HydrophobicContact CG2-CZ 3.52Å; T58-F62 WeakPolarHBondContact O-CB 3.41Å; T58-F62 PolarHBondContact O-N 3.41Å; W59-F62 HydrophobicContact CD2-CD1 4.42Å; W59-F62 AromaticContact CE3-CD1 3.83Å; W59-F62 HydrophobicContact CE3-CD1 3.83Å; W59-F62 AromaticContact CH2-CD1 3.79Å; W59-F62 HydrophobicContact CH2-CD1 3.79Å; W59-F62 AromaticContact CH2-CE1 3.75Å; W59-F62 HydrophobicContact CH2-CE1 3.75Å; W59-F62 HydrophobicContact CZ2-CD1 4.37Å; W59-F62 HydrophobicContact CZ2-CE1 4.47Å; W59-F62 AromaticContact CZ3-CD1 3.49Å; W59-F62 HydrophobicContact CZ3-CD1 3.49Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.49Å; W59-F62 AromaticContact CZ3-CE1 3.83Å; W59-F62 HydrophobicContact CZ3-CE1 3.83Å; W59-F62 HydrophobicContact CZ3-CG 4.42Å; W59-F62 WeakPolarHBondContact O-CB 3.38Å; W59-F62 PolarHBondContact O-N 2.9Å; W59-F62 VanDerWaalsContact O-N 3.16Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 3.05Å; F62-S65 WeakPolarHBondContact O-CB 3.23Å; F62-S65 PolarHBondContact O-N 2.98Å; F62-S65 VanDerWaalsContact O-N 3.15Å; F62-R66 HydrophobicContact CZ-CB 4.39Å; F62-R66 WeakPolarHBondContact O-CB 3.24Å; F62-R66 PolarHBondContact O-N 2.91Å; F62-S79 WeakPolarHBondContact CE2-O 3.42Å; F62-L82 HydrophobicContact CD2-CG 4.32Å; F62-L82 HydrophobicContact CE2-CB 4.32Å; F62-L82 HydrophobicContact CE2-CD2 4.31Å; F62-L82 HydrophobicContact CE2-CG 4.29Å; F62-L83 HydrophobicContact CB-CD1 4.2Å; F62-L83 HydrophobicContact CD2-CB 3.94Å; F62-L83 HydrophobicContact CD2-CD1 3.99Å; F62-L83 HydrophobicContact CE2-CB 4Å; F62-L83 HydrophobicContact CG-CD1 3.96Å; F62-C86 HydrophobicContact CB-CB 4.41Å |
| 63 | I | 93.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -34.4 | -177.5 | 68 | -174.3 | 0 | 0 | 0 | 111.4 | W59 L60 R66 A67 Y197 E209 R210 | W59-I63 HydrophobicContact CD2-CG2 4.12Å; W59-I63 HydrophobicContact CG-CG2 4.5Å; W59-I63 HydrophobicContact CH2-CG2 4.45Å; W59-I63 HydrophobicContact CZ2-CG2 3.76Å; W59-I63 PolarHBondContact O-N 2.86Å; L60-I63 HydrophobicContact CD1-CD1 4.18Å; L60-I63 HydrophobicContact CD1-CG1 4.39Å; L60-I63 WeakPolarHBondContact O-CG1 3.3Å; I63-R66 PolarHBondContact O-N 2.97Å; I63-A67 WeakPolarHBondContact O-CB 3.21Å; I63-A67 PolarHBondContact O-N 3.48Å; I63-Y197 HydrophobicContact CB-CE2 3.84Å; I63-Y197 HydrophobicContact CD1-CD1 4.11Å; I63-Y197 HydrophobicContact CD1-CD2 4.46Å; I63-Y197 HydrophobicContact CD1-CE1 3.68Å; I63-Y197 HydrophobicContact CD1-CE2 4.07Å; I63-Y197 HydrophobicContact CD1-CG 4.47Å; I63-Y197 HydrophobicContact CG1-CD2 4.03Å; I63-Y197 HydrophobicContact CG1-CE1 4.22Å; I63-Y197 HydrophobicContact CG1-CE2 3.66Å; I63-Y197 HydrophobicContact CG1-CG 4.44Å; I63-E209 HydrophobicContact CB-CB 4.32Å; I63-E209 HydrophobicContact CD1-CB 4.36Å; I63-E209 HydrophobicContact CG2-CB 3.74Å; I63-E209 WeakPolarHBondContact CG2-OE2 3.3Å; I63-R210 HydrophobicContact CD1-CG 3.65Å |
| 64 | K | 91.8 | Very high | 84.6 | Confident | 15 Ų | 15 | 21.9 Ų | 21.9 | 7% | 0.065 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.5 | -35.7 | 175 | -174.9 | 55.1 | -180 | 174.1 | 0 | 113.2 | L60 F62 S68 F160 L193 N196 Y197 | L60-K64 WeakPolarHBondContact O-CB 3.44Å; L60-K64 PolarHBondContact O-N 2.87Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 3.05Å; K64-S68 PolarHBondContact O-N 2.95Å; K64-S68 PolarHBondContact O-OG 3.48Å; K64-F160 HydrophobicContact CG-CZ 4.49Å; K64-L193 HydrophobicContact CG-CD2 4.24Å; K64-N196 WeakPolarHBondContact CE-OD1 3.31Å; K64-N196 PolarHBondContact NZ-O 3.35Å; K64-N196 PolarHBondContact NZ-OD1 3.43Å; K64-Y197 HydrophobicContact CB-CD2 4.41Å; K64-Y197 HydrophobicContact CD-CD2 4.22Å |
| 65 | S | 91.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -46.9 | 171.4 | -57 | 0 | 0 | 0 | 0 | 110.5 | L61 F62 S68 F69 F160 | L61-S65 VanDerWaalsContact O-CB 3.31Å; L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 3.12Å; L61-S65 PolarHBondContact O-OG 3.39Å; F62-S65 WeakPolarHBondContact O-CB 3.23Å; F62-S65 PolarHBondContact O-N 2.98Å; F62-S65 VanDerWaalsContact O-N 3.15Å; S65-S68 WeakPolarHBondContact O-CA 3.38Å; S65-S68 WeakPolarHBondContact O-CB 3.49Å; S65-S68 PolarHBondContact O-N 2.88Å; S65-F69 VanDerWaalsContact O-CD2 3.27Å; S65-F69 WeakPolarHBondContact O-CD2 3.5Å; S65-F69 PolarHBondContact O-N 2.79Å; S65-F160 VanDerWaalsContact OG-CE1 3.3Å; S65-F160 WeakPolarHBondContact OG-CE1 3.46Å |
| 66 | R | 89 | Confident | 83.1 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | -178.8 | -177.7 | 153.3 | 167.5 | -94.5 | -0.2 | 112.3 | S22 F62 I63 S68 F69 T73 S79 L82 E209 | S22-R66 PolarHBondContact OG-NH1 2.87Å; S22-R66 PolarHBondContact OG-NH2 3Å; F62-R66 HydrophobicContact CZ-CB 4.39Å; F62-R66 WeakPolarHBondContact O-CB 3.24Å; F62-R66 PolarHBondContact O-N 2.91Å; I63-R66 PolarHBondContact O-N 2.97Å; R66-S68 PolarHBondContact O-N 3.02Å; R66-S68 VanDerWaalsContact O-N 3.15Å; R66-F69 CarbonylContact O-C 3.55Å; R66-F69 PolarHBondContact O-N 3.14Å; R66-T73 HydrophobicContact CG-CG2 3.69Å; R66-T73 PolarHBondContact NE-O 3.29Å; R66-T73 PolarHBondContact NH2-O 3.32Å; R66-S79 PolarHBondContact NE-OG 3.08Å; R66-S79 VanDerWaalsContact NE-OG 3.16Å; R66-L82 HydrophobicContact CB-CD2 3.92Å; R66-E209 IonicContact CZ-OE1 3.9Å; R66-E209 IonicContact NH1-OE1 3.66Å; R66-E209 PolarHBondContact NH1-OE1 3.28Å; R66-E209 IonicContact NH1-OE2 2.97Å; R66-E209 PolarHBondContact NH1-OE2 2.7Å; R66-E209 IonicContact NH2-OE1 3.96Å |
| 67 | A | 87.1 | Confident | 82.7 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 10% | 0.099 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -23.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I63 Y197 Y200 | I63-A67 WeakPolarHBondContact O-CB 3.21Å; I63-A67 PolarHBondContact O-N 3.48Å; A67-Y197 HydrophobicContact CB-CD2 4.38Å; A67-Y197 HydrophobicContact CB-CE2 4.1Å; A67-Y200 HydrophobicContact CB-CD1 3.86Å; A67-Y200 HydrophobicContact CB-CD2 3.99Å; A67-Y200 HydrophobicContact CB-CE1 3.76Å; A67-Y200 HydrophobicContact CB-CE2 3.83Å; A67-Y200 HydrophobicContact CB-CG 4.02Å |
| 68 | S | 83.4 | Confident | 82.2 | Confident | 45 Ų | 45 | 30.2 Ų | 30.2 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -7.2 | 177.7 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | K64 S65 R66 F160 | K64-S68 PolarHBondContact O-N 2.95Å; K64-S68 PolarHBondContact O-OG 3.48Å; S65-S68 WeakPolarHBondContact O-CA 3.38Å; S65-S68 WeakPolarHBondContact O-CB 3.49Å; S65-S68 PolarHBondContact O-N 2.88Å; R66-S68 PolarHBondContact O-N 3.02Å; R66-S68 VanDerWaalsContact O-N 3.15Å; S68-F160 VanDerWaalsContact CB-CE2 3.43Å; S68-F160 WeakPolarHBondContact OG-CE2 3.49Å; S68-F160 WeakPolarHBondContact OG-CZ 3.31Å |
| 69 | F | 78.6 | Confident | 81.8 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | trans | -135.4 | 75.2 | 179.4 | -63 | -68.9 | 0 | 0 | 0 | 111.4 | S65 R66 A71 V72 F156 F160 | S65-F69 VanDerWaalsContact O-CD2 3.27Å; S65-F69 WeakPolarHBondContact O-CD2 3.5Å; S65-F69 PolarHBondContact O-N 2.79Å; R66-F69 CarbonylContact O-C 3.55Å; R66-F69 PolarHBondContact O-N 3.14Å; F69-A71 PolarHBondContact O-N 2.72Å; F69-A71 VanDerWaalsContact O-N 3.08Å; F69-V72 HydrophobicContact CB-CB 4.24Å; F69-V72 HydrophobicContact CB-CG2 3.97Å; F69-V72 WeakPolarHBondContact O-CA 3.38Å; F69-V72 VanDerWaalsContact O-CB 3.31Å; F69-V72 WeakPolarHBondContact O-CB 3.23Å; F69-V72 PolarHBondContact O-N 3.07Å; F69-F156 HydrophobicContact CD1-CD1 4.42Å; F69-F156 HydrophobicContact CE1-CB 4.29Å; F69-F156 HydrophobicContact CE1-CD1 4.14Å; F69-F156 HydrophobicContact CZ-CB 4.11Å; F69-F156 WeakPolarHBondContact CZ-O 3.48Å; F69-F160 HydrophobicContact CE2-CB 3.79Å; F69-F160 HydrophobicContact CE2-CD1 4.45Å; F69-F160 HydrophobicContact CE2-CD2 4.32Å; F69-F160 AromaticContact CE2-CG 3.94Å; F69-F160 HydrophobicContact CE2-CG 3.94Å; F69-F160 HydrophobicContact CZ-CB 3.8Å; F69-F160 HydrophobicContact CZ-CG 4.32Å | ||
| 70 | P | 65.9 | Low | 81.4 | Confident | 82 Ų | 82 | 31.8 Ų | 31.8 | 53% | 0.532 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.7 | -27.2 | -179.2 | -27.4 | 36.3 | 0 | 0 | 0 | 114.8 | V72 T73 | P70-V72 PolarHBondContact O-N 3.48Å; P70-T73 PolarHBondContact O-N 3.46Å; P70-T73 VanDerWaalsContact O-N 3.15Å; P70-T73 PolarHBondContact O-OG1 2.89Å |
| 71 | A | 61.8 | Low | 81.2 | Confident | 96 Ų | 96 | 31.8 Ų | 31.8 | 79% | 0.793 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62.5 | -13.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F69 | F69-A71 PolarHBondContact O-N 2.72Å; F69-A71 VanDerWaalsContact O-N 3.08Å |
| 72 | V | 61.1 | Low | 81 | Confident | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -100.2 | -22.9 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | F69 P70 D74 N78 S79 L82 | F69-V72 HydrophobicContact CB-CB 4.24Å; F69-V72 HydrophobicContact CB-CG2 3.97Å; F69-V72 WeakPolarHBondContact O-CA 3.38Å; F69-V72 VanDerWaalsContact O-CB 3.31Å; F69-V72 WeakPolarHBondContact O-CB 3.23Å; F69-V72 PolarHBondContact O-N 3.07Å; P70-V72 PolarHBondContact O-N 3.48Å; V72-D74 VanDerWaalsContact C-N 3.29Å; V72-D74 PolarHBondContact O-N 3.1Å; V72-N78 HydrophobicContact CB-CB 4.38Å; V72-N78 HydrophobicContact CG1-CB 3.87Å; V72-N78 WeakPolarHBondContact CG1-O 3.35Å; V72-N78 HydrophobicContact CG2-CB 4.33Å; V72-S79 PolarHBondContact O-OG 2.92Å; V72-L82 HydrophobicContact CG1-CB 4.31Å; V72-L82 HydrophobicContact CG1-CD2 4.02Å |
| 73 | T | 60.3 | Low | 80.9 | Confident | 10 Ų | 10 | 32 Ų | 32 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | -170 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | R66 P70 | R66-T73 HydrophobicContact CG-CG2 3.69Å; R66-T73 PolarHBondContact NE-O 3.29Å; R66-T73 PolarHBondContact NH2-O 3.32Å; P70-T73 PolarHBondContact O-N 3.46Å; P70-T73 VanDerWaalsContact O-N 3.15Å; P70-T73 PolarHBondContact O-OG1 2.89Å |
| 74 | D | 63 | Low | 80.9 | Confident | 54 Ų | 54 | 32.3 Ų | 32.3 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2 | -165.8 | -59 | -2.6 | 0 | 0 | 0 | 113.1 | L14 R17 V72 | L14-D74 WeakPolarHBondContact CD1-OD2 3.29Å; R17-D74 PolarHBondContact NE-O 3.34Å; R17-D74 PolarHBondContact NH2-O 3.05Å; V72-D74 VanDerWaalsContact C-N 3.29Å; V72-D74 PolarHBondContact O-N 3.1Å |
| 75 | D | 71.9 | Confident | 81 | Confident | 55 Ų | 55 | 31.6 Ų | 31.6 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | trans | -114.8 | 131.5 | 175.6 | 176.9 | 49.7 | 0 | 0 | 0 | 111.8 | V77 N78 S79 | D75-V77 PolarHBondContact OD1-N 3.44Å; D75-V77 WeakPolarHBondContact OD2-CB 3.32Å; D75-V77 PolarHBondContact OD2-N 2.85Å; D75-N78 HydrophobicContact CB-CB 4.37Å; D75-N78 WeakPolarHBondContact OD2-CB 3.26Å; D75-N78 VanDerWaalsContact OD2-CG 3.29Å; D75-N78 PolarHBondContact OD2-N 3.13Å; D75-N78 PolarHBondContact OD2-ND2 3.48Å; D75-N78 VanDerWaalsContact OD2-ND2 3.16Å; D75-S79 VanDerWaalsContact O-CB 3.23Å; D75-S79 WeakPolarHBondContact O-CB 3.43Å; D75-S79 PolarHBondContact O-N 3.14Å; D75-S79 VanDerWaalsContact O-N 3.1Å; D75-S79 PolarHBondContact O-OG 3.44Å | ||
| 76 | L | 81.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 31.6 Ų | 31.6 | 35% | 0.346 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.2 | -37.1 | -177.7 | -172.4 | 67.5 | 0 | 0 | 0 | 111.5 | V21 V24 I25 Y80 | V21-L76 HydrophobicContact CG1-CD1 4.07Å; V24-L76 HydrophobicContact CB-CD1 4.03Å; V24-L76 HydrophobicContact CG1-CD1 3.81Å; V24-L76 HydrophobicContact CG1-CD2 4.2Å; I25-L76 HydrophobicContact CD1-CD1 3.88Å; I25-L76 HydrophobicContact CG1-CD1 3.91Å; L76-Y80 HydrophobicContact CD1-CD2 4.27Å; L76-Y80 HydrophobicContact CD1-CE2 3.78Å; L76-Y80 HydrophobicContact CD2-CE2 4.33Å; L76-Y80 HydrophobicContact CG-CD2 4Å; L76-Y80 HydrophobicContact CG-CE2 3.8Å; L76-Y80 WeakPolarHBondContact O-CD2 3.4Å; L76-Y80 PolarHBondContact O-N 2.96Å |
| 77 | V | 82.3 | Confident | 81.5 | Confident | 75 Ų | 75 | 31.6 Ų | 31.6 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.8 | -49.4 | -176.2 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | D75 S79 Y80 H81 | D75-V77 PolarHBondContact OD1-N 3.44Å; D75-V77 WeakPolarHBondContact OD2-CB 3.32Å; D75-V77 PolarHBondContact OD2-N 2.85Å; V77-S79 VanDerWaalsContact C-N 3.31Å; V77-S79 PolarHBondContact O-N 3.12Å; V77-Y80 WeakPolarHBondContact O-CB 3.35Å; V77-Y80 PolarHBondContact O-N 2.86Å; V77-Y80 VanDerWaalsContact O-N 3.08Å; V77-H81 PolarHBondContact O-N 3.01Å |
| 78 | N | 84.4 | Confident | 81.8 | Confident | 59 Ų | 59 | 31.1 Ų | 31.1 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.8 | -35.9 | 175.3 | -69 | -37.5 | 0 | 0 | 0 | 112.1 | V72 D75 Y80 H81 L82 | V72-N78 HydrophobicContact CB-CB 4.38Å; V72-N78 HydrophobicContact CG1-CB 3.87Å; V72-N78 WeakPolarHBondContact CG1-O 3.35Å; V72-N78 HydrophobicContact CG2-CB 4.33Å; D75-N78 HydrophobicContact CB-CB 4.37Å; D75-N78 WeakPolarHBondContact OD2-CB 3.26Å; D75-N78 VanDerWaalsContact OD2-CG 3.29Å; D75-N78 PolarHBondContact OD2-N 3.13Å; D75-N78 PolarHBondContact OD2-ND2 3.48Å; D75-N78 VanDerWaalsContact OD2-ND2 3.16Å; N78-Y80 VanDerWaalsContact C-N 3.32Å; N78-Y80 PolarHBondContact O-N 2.91Å; N78-H81 PolarHBondContact O-N 3.21Å; N78-L82 WeakPolarHBondContact O-CB 3.36Å; N78-L82 PolarHBondContact O-N 3.44Å |
| 79 | S | 88.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 172 | -70 | 0 | 0 | 0 | 0 | 111.9 | F62 R66 V72 D75 V77 L82 L83 | F62-S79 WeakPolarHBondContact CE2-O 3.42Å; R66-S79 PolarHBondContact NE-OG 3.08Å; R66-S79 VanDerWaalsContact NE-OG 3.16Å; V72-S79 PolarHBondContact O-OG 2.92Å; D75-S79 VanDerWaalsContact O-CB 3.23Å; D75-S79 WeakPolarHBondContact O-CB 3.43Å; D75-S79 PolarHBondContact O-N 3.14Å; D75-S79 VanDerWaalsContact O-N 3.1Å; D75-S79 PolarHBondContact O-OG 3.44Å; V77-S79 VanDerWaalsContact C-N 3.31Å; V77-S79 PolarHBondContact O-N 3.12Å; S79-L82 PolarHBondContact O-N 3.19Å; S79-L83 WeakPolarHBondContact O-CB 3.4Å; S79-L83 PolarHBondContact O-N 2.78Å |
| 80 | Y | 88.2 | Confident | 83.1 | Confident | 34 Ų | 34 | 28.9 Ų | 28.9 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | 172 | -89.9 | -61.3 | 0 | 0 | 0 | 113.3 | V24 I25 N28 L76 V77 N78 L82 L83 A84 | V24-Y80 HydrophobicContact CG1-CE2 4.49Å; V24-Y80 PolarHBondContact O-OH 3.49Å; I25-Y80 HydrophobicContact CD1-CD1 3.89Å; I25-Y80 HydrophobicContact CD1-CD2 3.63Å; I25-Y80 HydrophobicContact CD1-CE1 3.84Å; I25-Y80 HydrophobicContact CD1-CE2 3.59Å; I25-Y80 HydrophobicContact CD1-CG 3.74Å; N28-Y80 HydrophobicContact CB-CE1 3.45Å; N28-Y80 VanDerWaalsContact CB-CE1 3.45Å; N28-Y80 WeakPolarHBondContact CB-OH 3.35Å; N28-Y80 PolarHBondContact ND2-OH 3.04Å; N28-Y80 VanDerWaalsContact ND2-OH 3.12Å; N28-Y80 PolarHBondContact OD1-OH 3.4Å; L76-Y80 HydrophobicContact CD1-CD2 4.27Å; L76-Y80 HydrophobicContact CD1-CE2 3.78Å; L76-Y80 HydrophobicContact CD2-CE2 4.33Å; L76-Y80 HydrophobicContact CG-CD2 4Å; L76-Y80 HydrophobicContact CG-CE2 3.8Å; L76-Y80 WeakPolarHBondContact O-CD2 3.4Å; L76-Y80 PolarHBondContact O-N 2.96Å; V77-Y80 WeakPolarHBondContact O-CB 3.35Å; V77-Y80 PolarHBondContact O-N 2.86Å; V77-Y80 VanDerWaalsContact O-N 3.08Å; N78-Y80 VanDerWaalsContact C-N 3.32Å; N78-Y80 PolarHBondContact O-N 2.91Å; Y80-L82 PolarHBondContact O-N 3.48Å; Y80-L83 HydrophobicContact CD1-CD2 4.3Å; Y80-L83 HydrophobicContact CE1-CD2 4.27Å; Y80-L83 PolarHBondContact O-N 3.01Å; Y80-A84 PolarHBondContact O-N 2.91Å |
| 81 | H | 91 | Very high | 84.3 | Confident | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.6 | -41.7 | 174.9 | -69 | -34.2 | 0 | 0 | 0 | 111.1 | V77 N78 C85 V144 N145 E148 C149 V152 | V77-H81 PolarHBondContact O-N 3.01Å; N78-H81 PolarHBondContact O-N 3.21Å; H81-C85 PolarHBondContact O-N 2.87Å; H81-C85 PolarHBondContact O-SG 3Å; H81-V144 WeakPolarHBondContact ND1-CG1 3.06Å; H81-N145 PolarHBondContact CE1-O 3.27Å; H81-E148 IonicContact CD2-OE2 3.01Å; H81-E148 IonicContact CE1-OE2 3.93Å; H81-E148 VanDerWaalsContact NE2-CB 3.35Å; H81-E148 WeakPolarHBondContact NE2-CB 3.43Å; H81-E148 IonicContact NE2-OE2 3.73Å; H81-E148 PolarHBondContact NE2-OE2 3.17Å; H81-C149 HydrophobicContact CB-CB 4.35Å; H81-C149 PolarHBondContact O-SG 3.28Å; H81-C149 VanDerWaalsContact O-SG 3.32Å; H81-V152 HydrophobicContact CB-CB 4.26Å; H81-V152 HydrophobicContact CB-CG1 4.39Å; H81-V152 HydrophobicContact CB-CG2 3.94Å |
| 82 | L | 92.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.2 | -40.2 | 176.8 | -174.5 | 60.8 | 0 | 0 | 0 | 112.7 | F62 R66 V72 N78 S79 Y80 C85 C86 F157 | F62-L82 HydrophobicContact CD2-CG 4.32Å; F62-L82 HydrophobicContact CE2-CB 4.32Å; F62-L82 HydrophobicContact CE2-CD2 4.31Å; F62-L82 HydrophobicContact CE2-CG 4.29Å; R66-L82 HydrophobicContact CB-CD2 3.92Å; V72-L82 HydrophobicContact CG1-CB 4.31Å; V72-L82 HydrophobicContact CG1-CD2 4.02Å; N78-L82 WeakPolarHBondContact O-CB 3.36Å; N78-L82 PolarHBondContact O-N 3.44Å; S79-L82 PolarHBondContact O-N 3.19Å; Y80-L82 PolarHBondContact O-N 3.48Å; L82-C85 WeakPolarHBondContact O-CB 3.18Å; L82-C85 PolarHBondContact O-N 3.17Å; L82-C86 PolarHBondContact O-N 2.95Å; L82-C86 PolarHBondContact O-SG 2.98Å; L82-F157 HydrophobicContact CD1-CD2 3.7Å; L82-F157 HydrophobicContact CD1-CE2 4.38Å |
| 83 | L | 93.4 | Very high | 87 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 175 | 179.7 | 66 | 0 | 0 | 0 | 111.7 | I25 F29 F62 S79 Y80 C85 C86 L87 | I25-L83 HydrophobicContact CG2-CD2 3.98Å; F29-L83 HydrophobicContact CB-CD1 4Å; F29-L83 HydrophobicContact CB-CD2 3.8Å; F29-L83 HydrophobicContact CD2-CD1 3.8Å; F29-L83 HydrophobicContact CG-CD1 4.19Å; F62-L83 HydrophobicContact CB-CD1 4.2Å; F62-L83 HydrophobicContact CD2-CB 3.94Å; F62-L83 HydrophobicContact CD2-CD1 3.99Å; F62-L83 HydrophobicContact CE2-CB 4Å; F62-L83 HydrophobicContact CG-CD1 3.96Å; S79-L83 WeakPolarHBondContact O-CB 3.4Å; S79-L83 PolarHBondContact O-N 2.78Å; Y80-L83 HydrophobicContact CD1-CD2 4.3Å; Y80-L83 HydrophobicContact CE1-CD2 4.27Å; Y80-L83 PolarHBondContact O-N 3.01Å; L83-C85 VanDerWaalsContact C-N 3.29Å; L83-C85 PolarHBondContact O-N 3.17Å; L83-C86 WeakPolarHBondContact O-CB 3.36Å; L83-C86 PolarHBondContact O-N 2.96Å; L83-C86 VanDerWaalsContact O-N 3.08Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.73Å |
| 84 | A | 93.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 19 Ų | 19 | 5% | 0.05 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y80 L87 D88 L135 I138 | Y80-A84 PolarHBondContact O-N 2.91Å; A84-L87 PolarHBondContact O-N 2.9Å; A84-D88 VanDerWaalsContact O-CB 3.26Å; A84-D88 WeakPolarHBondContact O-CB 3.42Å; A84-D88 PolarHBondContact O-N 3.37Å; A84-L135 HydrophobicContact CB-CD1 4.26Å; A84-I138 HydrophobicContact CB-CG2 3.97Å |
| 85 | C | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 172.2 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | H81 L82 L83 W89 F157 | H81-C85 PolarHBondContact O-N 2.87Å; H81-C85 PolarHBondContact O-SG 3Å; L82-C85 WeakPolarHBondContact O-CB 3.18Å; L82-C85 PolarHBondContact O-N 3.17Å; L83-C85 VanDerWaalsContact C-N 3.29Å; L83-C85 PolarHBondContact O-N 3.17Å; C85-W89 VanDerWaalsContact O-CB 3.32Å; C85-W89 WeakPolarHBondContact O-CB 3.13Å; C85-W89 PolarHBondContact O-N 2.64Å; C85-F157 HydrophobicContact CB-CB 4.19Å; C85-F157 HydrophobicContact CB-CD1 3.82Å; C85-F157 HydrophobicContact CB-CD2 4.04Å; C85-F157 HydrophobicContact CB-CE1 4.18Å; C85-F157 HydrophobicContact CB-CE2 4.38Å; C85-F157 HydrophobicContact CB-CG 3.74Å; C85-F157 HydrophobicContact CB-CZ 4.43Å |
| 86 | C | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.3 | -45 | 177 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | T58 F62 L82 L83 W89 T90 | T58-C86 HydrophobicContact CG2-CB 4.49Å; F62-C86 HydrophobicContact CB-CB 4.41Å; L82-C86 PolarHBondContact O-N 2.95Å; L82-C86 PolarHBondContact O-SG 2.98Å; L83-C86 WeakPolarHBondContact O-CB 3.36Å; L83-C86 PolarHBondContact O-N 2.96Å; L83-C86 VanDerWaalsContact O-N 3.08Å; C86-W89 PolarHBondContact O-N 2.92Å; C86-T90 PolarHBondContact O-N 3.33Å; C86-T90 PolarHBondContact O-OG1 3.47Å |
| 87 | L | 94.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 177 | -71.3 | 166.3 | 0 | 0 | 0 | 111.9 | F29 F33 L36 F37 T58 L83 A84 W89 T90 L91 I138 | F29-L87 HydrophobicContact CD2-CD2 4.12Å; F29-L87 HydrophobicContact CE2-CD2 4.07Å; F33-L87 HydrophobicContact CB-CD2 4.41Å; F33-L87 HydrophobicContact CD2-CD2 4.27Å; L36-L87 HydrophobicContact CD1-CB 3.92Å; L36-L87 HydrophobicContact CD1-CD2 4.21Å; L36-L87 HydrophobicContact CD1-CG 4.45Å; F37-L87 HydrophobicContact CE2-CD2 4.16Å; T58-L87 HydrophobicContact CG2-CD2 4.07Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.73Å; A84-L87 PolarHBondContact O-N 2.9Å; L87-W89 PolarHBondContact O-N 3.15Å; L87-T90 PolarHBondContact O-N 3.29Å; L87-L91 VanDerWaalsContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.08Å; L87-I138 HydrophobicContact CB-CD1 4.35Å |
| 88 | D | 93.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 175.6 | 169.8 | 75 | 0 | 0 | 0 | 112.2 | A84 L91 G92 M134 L135 I138 K153 | A84-D88 VanDerWaalsContact O-CB 3.26Å; A84-D88 WeakPolarHBondContact O-CB 3.42Å; A84-D88 PolarHBondContact O-N 3.37Å; D88-L91 PolarHBondContact O-N 3.26Å; D88-G92 PolarHBondContact O-N 3.38Å; D88-M134 WeakPolarHBondContact OD1-CA 3.48Å; D88-M134 PolarHBondContact OD1-N 3.29Å; D88-L135 HydrophobicContact CB-CB 4.35Å; D88-L135 HydrophobicContact CB-CD1 3.78Å; D88-L135 PolarHBondContact OD1-N 2.93Å; D88-I138 HydrophobicContact CB-CD1 3.85Å; D88-K153 IonicContact OD1-NZ 2.65Å; D88-K153 WeakPolarHBondContact OD2-CE 3.41Å; D88-K153 IonicContact OD2-NZ 2.72Å; D88-K153 PolarHBondContact OD2-NZ 2.96Å |
| 89 | W | 94.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 16.2 Ų | 16.2 | 12% | 0.121 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 179.7 | -172.2 | 93.4 | 0 | 0 | 0 | 112.7 | F57 L61 C85 C86 L87 L91 G92 A93 F157 M161 I170 L177 L180 | F57-W89 AromaticContact CE1-CZ3 3.95Å; F57-W89 HydrophobicContact CE1-CZ3 3.95Å; F57-W89 HydrophobicContact CZ-CH2 4.47Å; F57-W89 AromaticContact CZ-CZ3 3.78Å; F57-W89 HydrophobicContact CZ-CZ3 3.78Å; L61-W89 HydrophobicContact CD2-CD2 4.49Å; L61-W89 HydrophobicContact CD2-CE3 3.68Å; L61-W89 HydrophobicContact CD2-CZ3 3.95Å; C85-W89 VanDerWaalsContact O-CB 3.32Å; C85-W89 WeakPolarHBondContact O-CB 3.13Å; C85-W89 PolarHBondContact O-N 2.64Å; C86-W89 PolarHBondContact O-N 2.92Å; L87-W89 PolarHBondContact O-N 3.15Å; W89-L91 VanDerWaalsContact C-N 3.34Å; W89-L91 PolarHBondContact O-N 2.85Å; W89-G92 PolarHBondContact O-N 3.06Å; W89-A93 PolarHBondContact O-N 3.45Å; W89-F157 HydrophobicContact CB-CE1 3.74Å; W89-F157 HydrophobicContact CB-CZ 4.07Å; W89-F157 AromaticContact CG-CE1 3.95Å; W89-F157 HydrophobicContact CG-CE1 3.95Å; W89-F157 HydrophobicContact CG-CZ 4.32Å; W89-M161 HydrophobicContact CD2-CE 3.61Å; W89-M161 HydrophobicContact CE3-CE 3.87Å; W89-M161 HydrophobicContact CG-CE 4.29Å; W89-M161 HydrophobicContact CH2-CE 3.62Å; W89-M161 HydrophobicContact CZ2-CE 3.33Å; W89-M161 HydrophobicContact CZ3-CE 3.89Å; W89-I170 HydrophobicContact CH2-CD1 4.11Å; W89-I170 HydrophobicContact CH2-CG2 4.23Å; W89-I170 HydrophobicContact CZ2-CD1 4.45Å; W89-L177 HydrophobicContact CD2-CD1 4.36Å; W89-L177 HydrophobicContact CH2-CD1 3.73Å; W89-L177 HydrophobicContact CZ2-CD1 3.25Å; W89-L177 HydrophobicContact CZ3-CD1 4.42Å; W89-L180 HydrophobicContact CH2-CD2 3.57Å; W89-L180 HydrophobicContact CZ3-CD2 3.48Å; W89-L180 VanDerWaalsContact CZ3-CD2 3.48Å |
| 90 | T | 94.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 173 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | F37 L54 T58 C86 L87 G92 A93 V94 | F37-T90 HydrophobicContact CE1-CG2 4.18Å; F37-T90 HydrophobicContact CZ-CG2 3.78Å; L54-T90 HydrophobicContact CD1-CG2 3.49Å; L54-T90 VanDerWaalsContact CD1-CG2 3.49Å; L54-T90 HydrophobicContact CD2-CG2 4.07Å; L54-T90 HydrophobicContact CG-CG2 3.75Å; T58-T90 WeakPolarHBondContact OG1-CG2 3.3Å; T58-T90 PolarHBondContact OG1-OG1 2.93Å; C86-T90 PolarHBondContact O-N 3.33Å; C86-T90 PolarHBondContact O-OG1 3.47Å; L87-T90 PolarHBondContact O-N 3.29Å; T90-G92 PolarHBondContact O-N 2.95Å; T90-A93 WeakPolarHBondContact O-CB 3.35Å; T90-A93 PolarHBondContact O-N 3.2Å; T90-A93 VanDerWaalsContact O-N 3.13Å; T90-V94 HydrophobicContact CG2-CG2 4.36Å; T90-V94 WeakPolarHBondContact O-CG2 3.35Å; T90-V94 PolarHBondContact O-N 3.24Å |
| 91 | L | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 179 | -177.3 | 55.3 | 0 | 0 | 0 | 111.6 | L36 F37 L87 D88 W89 A93 V94 M95 I103 M134 I138 | L36-L91 HydrophobicContact CD2-CD2 4.19Å; F37-L91 HydrophobicContact CD1-CD1 4.48Å; F37-L91 HydrophobicContact CE1-CB 4.07Å; F37-L91 HydrophobicContact CE1-CD1 3.83Å; F37-L91 HydrophobicContact CZ-CB 3.88Å; F37-L91 HydrophobicContact CZ-CD1 4.38Å; L87-L91 VanDerWaalsContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.08Å; D88-L91 PolarHBondContact O-N 3.26Å; W89-L91 VanDerWaalsContact C-N 3.34Å; W89-L91 PolarHBondContact O-N 2.85Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 3.14Å; L91-V94 PolarHBondContact O-N 2.85Å; L91-M95 HydrophobicContact CD1-CG 4.26Å; L91-M95 HydrophobicContact CD1-SD 4.33Å; L91-M95 HydrophobicContact CG-SD 4.13Å; L91-M95 VanDerWaalsContact O-CG 3.28Å; L91-M95 WeakPolarHBondContact O-CG 3.29Å; L91-M95 PolarHBondContact O-N 3.28Å; L91-I103 HydrophobicContact CD1-CG1 4.21Å; L91-M134 HydrophobicContact CD2-CB 3.75Å; L91-M134 HydrophobicContact CD2-CG 3.74Å; L91-M134 HydrophobicContact CG-CG 4.29Å; L91-I138 HydrophobicContact CD2-CD1 4.49Å |
| 92 | G | 90.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.7 | -42.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | D88 W89 T90 L96 | D88-G92 PolarHBondContact O-N 3.38Å; W89-G92 PolarHBondContact O-N 3.06Å; T90-G92 PolarHBondContact O-N 2.95Å; G92-L96 VanDerWaalsContact O-CG 3.3Å; G92-L96 WeakPolarHBondContact O-CG 3.3Å; G92-L96 PolarHBondContact O-N 2.94Å; G92-L96 VanDerWaalsContact O-N 3.14Å |
| 93 | A | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | W89 T90 L91 M95 L96 S97 L177 L180 | W89-A93 PolarHBondContact O-N 3.45Å; T90-A93 WeakPolarHBondContact O-CB 3.35Å; T90-A93 PolarHBondContact O-N 3.2Å; T90-A93 VanDerWaalsContact O-N 3.13Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 3.14Å; A93-M95 PolarHBondContact O-N 3.08Å; A93-L96 PolarHBondContact O-N 3.27Å; A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 2.96Å; A93-S97 PolarHBondContact O-OG 3Å; A93-L177 HydrophobicContact CB-CD1 3.98Å; A93-L177 HydrophobicContact CB-CD2 4.36Å; A93-L177 HydrophobicContact CB-CG 3.86Å; A93-L180 HydrophobicContact CB-CD2 3.88Å |
| 94 | V | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 178.4 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | F37 L54 T90 L91 L96 S97 R98 R99 L102 I103 L181 | F37-V94 HydrophobicContact CD1-CG2 4.41Å; F37-V94 HydrophobicContact CE1-CG2 3.93Å; L54-V94 HydrophobicContact CD1-CG2 3.95Å; L54-V94 HydrophobicContact CD2-CG2 3.67Å; L54-V94 HydrophobicContact CG-CG2 4.47Å; T90-V94 HydrophobicContact CG2-CG2 4.36Å; T90-V94 WeakPolarHBondContact O-CG2 3.35Å; T90-V94 PolarHBondContact O-N 3.24Å; L91-V94 PolarHBondContact O-N 2.85Å; V94-L96 PolarHBondContact O-N 2.9Å; V94-S97 PolarHBondContact O-N 3.27Å; V94-R98 PolarHBondContact O-N 2.84Å; V94-R99 HydrophobicContact CG1-CB 4.07Å; V94-R99 WeakPolarHBondContact CG1-O 3.46Å; V94-R99 PolarHBondContact O-N 3.17Å; V94-L102 HydrophobicContact CG1-CB 3.67Å; V94-L102 HydrophobicContact CG1-CD1 4.33Å; V94-I103 HydrophobicContact CB-CG1 4.39Å; V94-I103 HydrophobicContact CG1-CD1 3.83Å; V94-I103 HydrophobicContact CG1-CG1 3.49Å; V94-I103 VanDerWaalsContact CG1-CG1 3.49Å; V94-L181 HydrophobicContact CB-CD1 4.21Å; V94-L181 HydrophobicContact CG2-CD1 3.73Å |
| 95 | M | 86.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 178.2 | -70.2 | 175.5 | 77.5 | 0 | 0 | 112.2 | L91 A93 R98 I103 L110 P111 F114 W124 T132 M134 | L91-M95 HydrophobicContact CD1-CG 4.26Å; L91-M95 HydrophobicContact CD1-SD 4.33Å; L91-M95 HydrophobicContact CG-SD 4.13Å; L91-M95 VanDerWaalsContact O-CG 3.28Å; L91-M95 WeakPolarHBondContact O-CG 3.29Å; L91-M95 PolarHBondContact O-N 3.28Å; A93-M95 PolarHBondContact O-N 3.08Å; M95-R98 PolarHBondContact O-N 2.97Å; M95-I103 HydrophobicContact CB-CD1 4.44Å; M95-I103 HydrophobicContact CG-CD1 3.59Å; M95-L110 HydrophobicContact CE-CD2 4.35Å; M95-L110 HydrophobicContact SD-CD2 4.48Å; M95-P111 HydrophobicContact CE-CG 4.02Å; M95-F114 HydrophobicContact CB-CE2 4.23Å; M95-F114 HydrophobicContact CE-CB 4.1Å; M95-F114 HydrophobicContact CE-CD1 3.86Å; M95-F114 HydrophobicContact CE-CD2 3.86Å; M95-F114 HydrophobicContact CE-CE1 4.25Å; M95-F114 HydrophobicContact CE-CE2 4.25Å; M95-F114 HydrophobicContact CE-CG 3.65Å; M95-F114 HydrophobicContact CE-CZ 4.44Å; M95-F114 HydrophobicContact CG-CE2 4.23Å; M95-F114 HydrophobicContact CG-CZ 4.25Å; M95-W124 HydrophobicContact CB-CZ3 4.18Å; M95-W124 HydrophobicContact CE-CH2 4.1Å; M95-W124 HydrophobicContact CE-CZ3 3.96Å; M95-T132 HydrophobicContact CE-CG2 3.7Å; M95-T132 HydrophobicContact SD-CG2 3.61Å; M95-M134 HydrophobicContact SD-CG 4.31Å |
| 96 | L | 86.4 | Confident | 87.6 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.5 | -29.6 | 177 | -67.3 | 172.3 | 0 | 0 | 0 | 113 | G92 A93 V94 R98 P126 L177 | G92-L96 VanDerWaalsContact O-CG 3.3Å; G92-L96 WeakPolarHBondContact O-CG 3.3Å; G92-L96 PolarHBondContact O-N 2.94Å; G92-L96 VanDerWaalsContact O-N 3.14Å; A93-L96 PolarHBondContact O-N 3.27Å; V94-L96 PolarHBondContact O-N 2.9Å; L96-R98 PolarHBondContact O-N 2.86Å; L96-P126 HydrophobicContact CD2-CG 3.8Å; L96-L177 HydrophobicContact CD1-CB 3.98Å; L96-L177 HydrophobicContact CD1-CD2 4.25Å; L96-L177 HydrophobicContact CD1-CG 4.39Å |
| 97 | S | 85.8 | Confident | 86.3 | Confident | 23 Ų | 23 | 36.8 Ų | 36.8 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -6.2 | 174.6 | -53.5 | 0 | 0 | 0 | 0 | 113.4 | A93 V94 R99 G178 L181 | A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 2.96Å; A93-S97 PolarHBondContact O-OG 3Å; V94-S97 PolarHBondContact O-N 3.27Å; S97-R99 PolarHBondContact O-N 3.41Å; S97-G178 WeakPolarHBondContact CA-O 3.14Å; S97-G178 WeakPolarHBondContact CB-O 3.19Å; S97-G178 PolarHBondContact OG-O 2.97Å; S97-L181 WeakPolarHBondContact OG-CD1 3.33Å; S97-L181 WeakPolarHBondContact OG-CG 3.41Å |
| 98 | R | 79.8 | Confident | 84.9 | Confident | 170 Ų | 170 | 42.9 Ų | 42.9 | 64% | 0.642 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 16.7 | -176.2 | -43.5 | 175.4 | -167.6 | 175.7 | 2.2 | 113.8 | V94 M95 L96 R100 T123 | V94-R98 PolarHBondContact O-N 2.84Å; M95-R98 PolarHBondContact O-N 2.97Å; L96-R98 PolarHBondContact O-N 2.86Å; R98-R100 VanDerWaalsContact C-N 3.25Å; R98-R100 PolarHBondContact O-N 2.91Å; R98-T123 VanDerWaalsContact CZ-CG2 3.49Å; R98-T123 PolarHBondContact NH1-OG1 3.46Å; R98-T123 VanDerWaalsContact NH1-OG1 3.17Å |
| 99 | R | 85 | Confident | 83.9 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -81.3 | 65.8 | 178.8 | -71.3 | -67.4 | -58.6 | -76.1 | 1 | 111.1 | P49 V94 S97 D101 L102 L181 | P49-R99 VanDerWaalsContact O-CZ 3.28Å; P49-R99 PolarHBondContact O-NH1 3.35Å; P49-R99 PolarHBondContact O-NH2 3.07Å; V94-R99 HydrophobicContact CG1-CB 4.07Å; V94-R99 WeakPolarHBondContact CG1-O 3.46Å; V94-R99 PolarHBondContact O-N 3.17Å; S97-R99 PolarHBondContact O-N 3.41Å; R99-D101 WeakPolarHBondContact CA-OD1 3.36Å; R99-D101 WeakPolarHBondContact CD-OD1 3.47Å; R99-D101 IonicContact CZ-OD2 3.95Å; R99-D101 VanDerWaalsContact NE-CG 3.33Å; R99-D101 IonicContact NE-OD1 2.87Å; R99-D101 PolarHBondContact NE-OD1 2.89Å; R99-D101 IonicContact NE-OD2 3.02Å; R99-D101 PolarHBondContact NE-OD2 2.93Å; R99-D101 IonicContact NH2-OD2 2.79Å; R99-D101 PolarHBondContact NH2-OD2 2.79Å; R99-D101 PolarHBondContact O-N 3.35Å; R99-D101 VanDerWaalsContact O-N 3.16Å; R99-L102 HydrophobicContact CB-CB 4.4Å; R99-L102 HydrophobicContact CB-CD1 3.81Å; R99-L102 HydrophobicContact CB-CG 4.18Å; R99-L102 HydrophobicContact CG-CD1 4.2Å; R99-L102 PolarHBondContact O-N 2.96Å; R99-L181 HydrophobicContact CB-CD1 4.43Å; R99-L181 HydrophobicContact CG-CD1 4.22Å | ||
| 100 | R | 81.3 | Confident | 83.3 | Confident | 114 Ų | 114 | 44.2 Ų | 44.2 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -60.9 | -20.1 | 177.5 | 68.3 | 174.5 | 177.5 | -161.2 | -5.8 | 113.5 | R98 L102 I103 V118 N121 | R98-R100 VanDerWaalsContact C-N 3.25Å; R98-R100 PolarHBondContact O-N 2.91Å; R100-L102 PolarHBondContact O-N 3.42Å; R100-I103 PolarHBondContact O-N 3.18Å; R100-V118 HydrophobicContact CB-CG1 4.49Å; R100-V118 PolarHBondContact NH1-O 2.68Å; R100-V118 VanDerWaalsContact NH1-O 3.07Å; R100-N121 VanDerWaalsContact CZ-OD1 3.31Å; R100-N121 PolarHBondContact NH1-OD1 3.31Å; R100-N121 PolarHBondContact NH2-OD1 3.43Å |
| 101 | D | 82.5 | Confident | 82.7 | Confident | 49 Ų | 49 | 46 Ų | 46 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -71.2 | -12.7 | 175.2 | 60.2 | -67.6 | 0 | 0 | 0 | 113.8 | S38 T40 R99 | S38-D101 VanDerWaalsContact OG-C 3.3Å; S38-D101 PolarHBondContact OG-O 3.2Å; T40-D101 HydrophobicContact CG2-CB 3.84Å; T40-D101 WeakPolarHBondContact CG2-O 3.36Å; T40-D101 PolarHBondContact OG1-O 3.22Å; T40-D101 VanDerWaalsContact OG1-O 3.07Å; R99-D101 WeakPolarHBondContact CA-OD1 3.36Å; R99-D101 WeakPolarHBondContact CD-OD1 3.47Å; R99-D101 IonicContact CZ-OD2 3.95Å; R99-D101 VanDerWaalsContact NE-CG 3.33Å; R99-D101 IonicContact NE-OD1 2.87Å; R99-D101 PolarHBondContact NE-OD1 2.89Å; R99-D101 IonicContact NE-OD2 3.02Å; R99-D101 PolarHBondContact NE-OD2 2.93Å; R99-D101 IonicContact NH2-OD2 2.79Å; R99-D101 PolarHBondContact NH2-OD2 2.79Å; R99-D101 PolarHBondContact O-N 3.35Å; R99-D101 VanDerWaalsContact O-N 3.16Å |
| 102 | L | 87.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -102.5 | -4 | 173.2 | -66.8 | 174.4 | 0 | 0 | 0 | 113.4 | F37 S38 T40 G51 L54 V94 R99 R100 L181 | F37-L102 CarbonylContact C-O 3.55Å; F37-L102 WeakPolarHBondContact CA-O 3.11Å; F37-L102 WeakPolarHBondContact CB-O 3.41Å; F37-L102 WeakPolarHBondContact CD1-O 3.5Å; S38-L102 PolarHBondContact N-O 3.1Å; S38-L102 WeakPolarHBondContact OG-CA 3.43Å; T40-L102 WeakPolarHBondContact OG1-CD2 3.36Å; G51-L102 VanDerWaalsContact N-CD2 3.25Å; L54-L102 HydrophobicContact CD2-CB 4.5Å; L54-L102 HydrophobicContact CD2-CD1 4.42Å; V94-L102 HydrophobicContact CG1-CB 3.67Å; V94-L102 HydrophobicContact CG1-CD1 4.33Å; R99-L102 HydrophobicContact CB-CB 4.4Å; R99-L102 HydrophobicContact CB-CD1 3.81Å; R99-L102 HydrophobicContact CB-CG 4.18Å; R99-L102 HydrophobicContact CG-CD1 4.2Å; R99-L102 PolarHBondContact O-N 2.96Å; R100-L102 PolarHBondContact O-N 3.42Å; L102-L181 HydrophobicContact CD1-CD1 4.01Å |
| 103 | I | 87.5 | Confident | 81.7 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 131.1 | -176.4 | -62 | 169.4 | 0 | 0 | 0 | 109.5 | S38 L91 V94 M95 R100 M105 L110 F114 | S38-I103 PolarHBondContact OG-N 3.32Å; S38-I103 VanDerWaalsContact OG-N 3.12Å; S38-I103 PolarHBondContact OG-O 3.13Å; L91-I103 HydrophobicContact CD1-CG1 4.21Å; V94-I103 HydrophobicContact CB-CG1 4.39Å; V94-I103 HydrophobicContact CG1-CD1 3.83Å; V94-I103 HydrophobicContact CG1-CG1 3.49Å; V94-I103 VanDerWaalsContact CG1-CG1 3.49Å; M95-I103 HydrophobicContact CB-CD1 4.44Å; M95-I103 HydrophobicContact CG-CD1 3.59Å; R100-I103 PolarHBondContact O-N 3.18Å; I103-M105 HydrophobicContact CG2-SD 4.42Å; I103-M105 PolarHBondContact O-N 3.25Å; I103-L110 HydrophobicContact CG2-CD1 4.12Å; I103-L110 HydrophobicContact CG2-CD2 4.31Å; I103-F114 HydrophobicContact CD1-CE1 4.22Å; I103-F114 HydrophobicContact CD1-CE2 4.45Å; I103-F114 HydrophobicContact CD1-CZ 3.6Å |
| 104 | N | 84.9 | Confident | 81.4 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 22% | 0.219 | 30% | 0.295 | C | S | . | . | trans | -69.1 | 100.7 | 168.5 | -176.9 | 8.4 | 0 | 0 | 0 | 109.9 | V35 L36 E106 Q107 | V35-N104 WeakPolarHBondContact O-CB 3.5Å; V35-N104 PolarHBondContact O-ND2 2.98Å; L36-N104 PolarHBondContact O-N 2.87Å; N104-E106 PolarHBondContact O-N 3.29Å; N104-E106 WeakPolarHBondContact OD1-CB 3.36Å; N104-E106 PolarHBondContact OD1-N 3.14Å; N104-E106 VanDerWaalsContact OD1-N 3.14Å; N104-Q107 VanDerWaalsContact O-CB 3.23Å; N104-Q107 WeakPolarHBondContact O-CB 3.26Å; N104-Q107 PolarHBondContact O-N 3.46Å; N104-Q107 VanDerWaalsContact O-N 3.08Å | ||
| 105 | M | 80.6 | Confident | 81.1 | Confident | 83 Ų | 83 | 63.9 Ų | 63.9 | 41% | 0.409 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.7 | -178.3 | -66 | -64.5 | -59.2 | 0 | 0 | 113.7 | I103 Q107 F114 L115 V118 | I103-M105 HydrophobicContact CG2-SD 4.42Å; I103-M105 PolarHBondContact O-N 3.25Å; M105-Q107 VanDerWaalsContact C-N 3.31Å; M105-F114 HydrophobicContact SD-CE1 4.44Å; M105-L115 HydrophobicContact CE-CD2 3.57Å; M105-V118 HydrophobicContact CE-CB 4.42Å; M105-V118 HydrophobicContact CE-CG1 3.78Å; M105-V118 HydrophobicContact SD-CG1 4.45Å |
| 106 | E | 74.9 | Confident | 80.9 | Confident | 177 Ų | 177 | 66.9 Ų | 66.9 | 83% | 0.827 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -4.9 | 173.3 | -55.9 | -171.4 | 163 | 0 | 0 | 112.7 | N104 N108 | N104-E106 PolarHBondContact O-N 3.29Å; N104-E106 WeakPolarHBondContact OD1-CB 3.36Å; N104-E106 PolarHBondContact OD1-N 3.14Å; N104-E106 VanDerWaalsContact OD1-N 3.14Å; E106-N108 PolarHBondContact O-N 3.26Å |
| 107 | Q | 69.3 | Low | 80.7 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | trans | -66.2 | 129.4 | -178.6 | -164.9 | -144.4 | -25.7 | 0 | 0 | 112.4 | V35 L36 N104 M105 L110 | V35-Q107 HydrophobicContact CG1-CG 4.4Å; L36-Q107 VanDerWaalsContact CD2-CD 3.4Å; L36-Q107 HydrophobicContact CD2-CG 4.22Å; L36-Q107 VanDerWaalsContact CD2-NE2 3.26Å; N104-Q107 VanDerWaalsContact O-CB 3.23Å; N104-Q107 WeakPolarHBondContact O-CB 3.26Å; N104-Q107 PolarHBondContact O-N 3.46Å; N104-Q107 VanDerWaalsContact O-N 3.08Å; M105-Q107 VanDerWaalsContact C-N 3.31Å; Q107-L110 HydrophobicContact CB-CD1 4.43Å | ||
| 108 | N | 65 | Low | 80.5 | Confident | 130 Ų | 130 | 65.9 Ų | 65.9 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 139.4 | 169.7 | -75.4 | -38.3 | 0 | 0 | 0 | 111.8 | E106 | E106-N108 PolarHBondContact O-N 3.26Š|
| 109 | G | 72.8 | Confident | 80.6 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 54% | 0.536 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -4.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 110 | L | 82.2 | Confident | 80.6 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | trans | -57.4 | 140.4 | 175.9 | -72.9 | 170.9 | 0 | 0 | 0 | 111.6 | M95 I103 Q107 R112 F114 L115 M134 | M95-L110 HydrophobicContact CE-CD2 4.35Å; M95-L110 HydrophobicContact SD-CD2 4.48Å; I103-L110 HydrophobicContact CG2-CD1 4.12Å; I103-L110 HydrophobicContact CG2-CD2 4.31Å; Q107-L110 HydrophobicContact CB-CD1 4.43Å; L110-R112 PolarHBondContact O-N 2.95Å; L110-F114 HydrophobicContact CD2-CE1 4.48Å; L110-L115 HydrophobicContact CB-CD1 4.27Å; L110-L115 HydrophobicContact CB-CD2 4.02Å; L110-L115 HydrophobicContact CB-CG 4.13Å; L110-L115 HydrophobicContact CD1-CD2 4.03Å; L110-M134 HydrophobicContact CD2-CE 4.06Å; L110-M134 HydrophobicContact CG-CE 4.5Å | ||
| 111 | P | 81.9 | Confident | 80.3 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 25% | 0.253 | 36% | 0.358 | S | S | . | . | trans | -59.9 | 133.8 | -177.3 | -24.3 | 34.1 | 0 | 0 | 0 | 112.5 | M95 D113 F114 L115 W124 M134 | M95-P111 HydrophobicContact CE-CG 4.02Å; P111-D113 PolarHBondContact O-N 3.08Å; P111-F114 HydrophobicContact CB-CB 4.03Å; P111-F114 HydrophobicContact CG-CB 4.43Å; P111-F114 WeakPolarHBondContact O-CA 3.45Å; P111-F114 WeakPolarHBondContact O-CB 3.4Å; P111-F114 PolarHBondContact O-N 3.06Å; P111-L115 PolarHBondContact O-N 3.4Å; P111-W124 HydrophobicContact CB-CZ2 4.44Å; P111-M134 HydrophobicContact CG-SD 4.46Å | ||
| 112 | R | 79.4 | Confident | 80.1 | Confident | 212 Ų | 212 | 70.3 Ų | 70.3 | 80% | 0.8 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.8 | -35.7 | -178.4 | -66.8 | -178.1 | -179.2 | 171.9 | 0.4 | 112.8 | L110 F114 L115 T116 | L110-R112 PolarHBondContact O-N 2.95Å; R112-F114 VanDerWaalsContact C-N 3.35Å; R112-L115 PolarHBondContact O-N 3.28Å; R112-T116 VanDerWaalsContact O-CB 3.3Å; R112-T116 WeakPolarHBondContact O-CB 3.33Å; R112-T116 PolarHBondContact O-N 2.91Å; R112-T116 PolarHBondContact O-OG1 3.33Å |
| 113 | D | 81.4 | Confident | 79.2 | Confident | 96 Ų | 96 | 73.5 Ų | 73.5 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.3 | -31.1 | 178.9 | -54.5 | -28.9 | 0 | 0 | 0 | 112.1 | P111 S117 | P111-D113 PolarHBondContact O-N 3.08Å; D113-S117 WeakPolarHBondContact O-CB 3.46Å; D113-S117 PolarHBondContact O-N 3.22Å; D113-S117 PolarHBondContact O-OG 2.83Å |
| 114 | F | 84.3 | Confident | 78.7 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.6 | -52.7 | 171.2 | 171.6 | -101.2 | 0 | 0 | 0 | 110.1 | M95 I103 M105 L110 P111 R112 T116 S117 V118 W124 | M95-F114 HydrophobicContact CB-CE2 4.23Å; M95-F114 HydrophobicContact CE-CB 4.1Å; M95-F114 HydrophobicContact CE-CD1 3.86Å; M95-F114 HydrophobicContact CE-CD2 3.86Å; M95-F114 HydrophobicContact CE-CE1 4.25Å; M95-F114 HydrophobicContact CE-CE2 4.25Å; M95-F114 HydrophobicContact CE-CG 3.65Å; M95-F114 HydrophobicContact CE-CZ 4.44Å; M95-F114 HydrophobicContact CG-CE2 4.23Å; M95-F114 HydrophobicContact CG-CZ 4.25Å; I103-F114 HydrophobicContact CD1-CE1 4.22Å; I103-F114 HydrophobicContact CD1-CE2 4.45Å; I103-F114 HydrophobicContact CD1-CZ 3.6Å; M105-F114 HydrophobicContact SD-CE1 4.44Å; L110-F114 HydrophobicContact CD2-CE1 4.48Å; P111-F114 HydrophobicContact CB-CB 4.03Å; P111-F114 HydrophobicContact CG-CB 4.43Å; P111-F114 WeakPolarHBondContact O-CA 3.45Å; P111-F114 WeakPolarHBondContact O-CB 3.4Å; P111-F114 PolarHBondContact O-N 3.06Å; R112-F114 VanDerWaalsContact C-N 3.35Å; F114-T116 VanDerWaalsContact C-N 3.27Å; F114-T116 PolarHBondContact O-N 3.18Å; F114-S117 PolarHBondContact O-N 3.45Å; F114-S117 VanDerWaalsContact O-N 3.11Å; F114-V118 HydrophobicContact CD1-CG2 4.31Å; F114-V118 HydrophobicContact CD2-CG2 4.19Å; F114-V118 HydrophobicContact CE1-CG2 3.91Å; F114-V118 HydrophobicContact CE2-CG2 3.78Å; F114-V118 HydrophobicContact CG-CG2 4.44Å; F114-V118 HydrophobicContact CZ-CG2 3.62Å; F114-V118 WeakPolarHBondContact O-CB 3.43Å; F114-V118 WeakPolarHBondContact O-CG2 3.44Å; F114-V118 PolarHBondContact O-N 3.16Å; F114-W124 HydrophobicContact CB-CD2 3.86Å; F114-W124 HydrophobicContact CB-CE3 4.35Å; F114-W124 HydrophobicContact CB-CG 4.12Å; F114-W124 HydrophobicContact CB-CZ2 4.17Å; F114-W124 HydrophobicContact CD2-CB 4.11Å; F114-W124 AromaticContact CD2-CD2 3.71Å; F114-W124 HydrophobicContact CD2-CD2 3.71Å; F114-W124 AromaticContact CD2-CE3 3.6Å; F114-W124 HydrophobicContact CD2-CE3 3.6Å; F114-W124 AromaticContact CD2-CG 3.94Å; F114-W124 HydrophobicContact CD2-CG 3.94Å; F114-W124 HydrophobicContact CD2-CZ3 4.25Å; F114-W124 HydrophobicContact CE2-CE3 4.41Å; F114-W124 HydrophobicContact CG-CD2 4.28Å; F114-W124 HydrophobicContact CG-CE3 4.4Å |
| 115 | L | 82.8 | Confident | 78 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 34% | 0.335 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.6 | -41.7 | 176.2 | -64.3 | 176.5 | 0 | 0 | 0 | 111.8 | M105 L110 P111 R112 V118 A119 | M105-L115 HydrophobicContact CE-CD2 3.57Å; L110-L115 HydrophobicContact CB-CD1 4.27Å; L110-L115 HydrophobicContact CB-CD2 4.02Å; L110-L115 HydrophobicContact CB-CG 4.13Å; L110-L115 HydrophobicContact CD1-CD2 4.03Å; P111-L115 PolarHBondContact O-N 3.4Å; R112-L115 PolarHBondContact O-N 3.28Å; L115-V118 PolarHBondContact O-N 2.99Å; L115-A119 WeakPolarHBondContact O-CB 3.27Å; L115-A119 PolarHBondContact O-N 2.91Å |
| 116 | T | 84.3 | Confident | 77.4 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 112 | R112 F114 A119 Q120 | R112-T116 VanDerWaalsContact O-CB 3.3Å; R112-T116 WeakPolarHBondContact O-CB 3.33Å; R112-T116 PolarHBondContact O-N 2.91Å; R112-T116 PolarHBondContact O-OG1 3.33Å; F114-T116 VanDerWaalsContact C-N 3.27Å; F114-T116 PolarHBondContact O-N 3.18Å; T116-A119 PolarHBondContact O-N 3.26Å; T116-Q120 WeakPolarHBondContact O-CB 3.36Å; T116-Q120 VanDerWaalsContact O-CG 3.26Å; T116-Q120 WeakPolarHBondContact O-CG 3.49Å; T116-Q120 PolarHBondContact O-N 3.25Å |
| 117 | S | 81.9 | Confident | 76.9 | Confident | 21 Ų | 21 | 71 Ų | 71 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 177.1 | -62 | 0 | 0 | 0 | 0 | 111.8 | D113 F114 Q120 N121 K122 | D113-S117 WeakPolarHBondContact O-CB 3.46Å; D113-S117 PolarHBondContact O-N 3.22Å; D113-S117 PolarHBondContact O-OG 2.83Å; F114-S117 PolarHBondContact O-N 3.45Å; F114-S117 VanDerWaalsContact O-N 3.11Å; S117-Q120 CarbonylContact O-C 3.49Å; S117-Q120 PolarHBondContact O-N 3.15Å; S117-N121 PolarHBondContact O-N 3.03Å; S117-N121 VanDerWaalsContact O-N 3.07Å; S117-K122 PolarHBondContact O-N 3.05Å |
| 118 | V | 81.4 | Confident | 76.4 | Confident | 24 Ų | 24 | 77 Ų | 77 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 111 | R100 M105 F114 L115 Q120 N121 | R100-V118 HydrophobicContact CB-CG1 4.49Å; R100-V118 PolarHBondContact NH1-O 2.68Å; R100-V118 VanDerWaalsContact NH1-O 3.07Å; M105-V118 HydrophobicContact CE-CB 4.42Å; M105-V118 HydrophobicContact CE-CG1 3.78Å; M105-V118 HydrophobicContact SD-CG1 4.45Å; F114-V118 HydrophobicContact CD1-CG2 4.31Å; F114-V118 HydrophobicContact CD2-CG2 4.19Å; F114-V118 HydrophobicContact CE1-CG2 3.91Å; F114-V118 HydrophobicContact CE2-CG2 3.78Å; F114-V118 HydrophobicContact CG-CG2 4.44Å; F114-V118 HydrophobicContact CZ-CG2 3.62Å; F114-V118 WeakPolarHBondContact O-CB 3.43Å; F114-V118 WeakPolarHBondContact O-CG2 3.44Å; F114-V118 PolarHBondContact O-N 3.16Å; L115-V118 PolarHBondContact O-N 2.99Å; V118-Q120 VanDerWaalsContact C-N 3.31Å; V118-Q120 PolarHBondContact O-N 2.88Å; V118-N121 PolarHBondContact O-N 2.82Å; V118-N121 VanDerWaalsContact O-N 3.16Å |
| 119 | A | 82.2 | Confident | 75.9 | Confident | 83 Ų | 83 | 79.4 Ų | 79.4 | 69% | 0.686 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.1 | -33.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L115 T116 N121 | L115-A119 WeakPolarHBondContact O-CB 3.27Å; L115-A119 PolarHBondContact O-N 2.91Å; T116-A119 PolarHBondContact O-N 3.26Å; A119-N121 VanDerWaalsContact C-N 3.31Å |
| 120 | Q | 83.8 | Confident | 75.1 | Confident | 102 Ų | 102 | 84.2 Ų | 84.2 | 48% | 0.477 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 2 | 176.1 | -67.7 | 178.5 | 20.2 | 0 | 0 | 113.8 | T116 S117 V118 K122 | T116-Q120 WeakPolarHBondContact O-CB 3.36Å; T116-Q120 VanDerWaalsContact O-CG 3.26Å; T116-Q120 WeakPolarHBondContact O-CG 3.49Å; T116-Q120 PolarHBondContact O-N 3.25Å; S117-Q120 CarbonylContact O-C 3.49Å; S117-Q120 PolarHBondContact O-N 3.15Å; V118-Q120 VanDerWaalsContact C-N 3.31Å; V118-Q120 PolarHBondContact O-N 2.88Å; Q120-K122 HydrophobicContact CB-CB 4.42Å; Q120-K122 HydrophobicContact CB-CD 4.07Å; Q120-K122 HydrophobicContact CB-CG 3.97Å; Q120-K122 PolarHBondContact O-N 3.41Å; Q120-K122 VanDerWaalsContact O-N 3.14Å |
| 121 | N | 76.7 | Confident | 74.1 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 28.5 | -169.2 | -67.3 | -49.6 | 0 | 0 | 0 | 113.6 | R100 S117 V118 A119 | R100-N121 VanDerWaalsContact CZ-OD1 3.31Å; R100-N121 PolarHBondContact NH1-OD1 3.31Å; R100-N121 PolarHBondContact NH2-OD1 3.43Å; S117-N121 PolarHBondContact O-N 3.03Å; S117-N121 VanDerWaalsContact O-N 3.07Å; V118-N121 PolarHBondContact O-N 2.82Å; V118-N121 VanDerWaalsContact O-N 3.16Å; A119-N121 VanDerWaalsContact C-N 3.31Å |
| 122 | K | 77.1 | Confident | 73.5 | Confident | 132 Ų | 132 | 86.2 Ų | 86.2 | 57% | 0.574 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -91.9 | 154.2 | 178 | -72.2 | -179.1 | -171.4 | 167.5 | 0 | 110.9 | S117 Q120 W124 | S117-K122 PolarHBondContact O-N 3.05Å; Q120-K122 HydrophobicContact CB-CB 4.42Å; Q120-K122 HydrophobicContact CB-CD 4.07Å; Q120-K122 HydrophobicContact CB-CG 3.97Å; Q120-K122 PolarHBondContact O-N 3.41Å; Q120-K122 VanDerWaalsContact O-N 3.14Å; K122-W124 PolarHBondContact O-N 3.3Å |
| 123 | T | 69.6 | Low | 73.7 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 120.1 | 164.7 | -62.8 | 0 | 0 | 0 | 0 | 108.3 | R98 | R98-T123 VanDerWaalsContact CZ-CG2 3.49Å; R98-T123 PolarHBondContact NH1-OG1 3.46Å; R98-T123 VanDerWaalsContact NH1-OG1 3.17Å |
| 124 | W | 75.5 | Confident | 74 | Confident | 28 Ų | 28 | 75.1 Ų | 75.1 | 11% | 0.106 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 127.9 | 166.7 | -176.6 | 58.5 | 0 | 0 | 0 | 109.2 | M95 P111 F114 K122 P126 T132 | M95-W124 HydrophobicContact CB-CZ3 4.18Å; M95-W124 HydrophobicContact CE-CH2 4.1Å; M95-W124 HydrophobicContact CE-CZ3 3.96Å; P111-W124 HydrophobicContact CB-CZ2 4.44Å; F114-W124 HydrophobicContact CB-CD2 3.86Å; F114-W124 HydrophobicContact CB-CE3 4.35Å; F114-W124 HydrophobicContact CB-CG 4.12Å; F114-W124 HydrophobicContact CB-CZ2 4.17Å; F114-W124 HydrophobicContact CD2-CB 4.11Å; F114-W124 AromaticContact CD2-CD2 3.71Å; F114-W124 HydrophobicContact CD2-CD2 3.71Å; F114-W124 AromaticContact CD2-CE3 3.6Å; F114-W124 HydrophobicContact CD2-CE3 3.6Å; F114-W124 AromaticContact CD2-CG 3.94Å; F114-W124 HydrophobicContact CD2-CG 3.94Å; F114-W124 HydrophobicContact CD2-CZ3 4.25Å; F114-W124 HydrophobicContact CE2-CE3 4.41Å; F114-W124 HydrophobicContact CG-CD2 4.28Å; F114-W124 HydrophobicContact CG-CE3 4.4Å; K122-W124 PolarHBondContact O-N 3.3Å; W124-P126 HydrophobicContact CE3-CG 4.47Å; W124-P126 HydrophobicContact CH2-CB 4.33Å; W124-P126 HydrophobicContact CH2-CG 3.93Å; W124-P126 HydrophobicContact CZ2-CB 4.37Å; W124-P126 HydrophobicContact CZ2-CG 4.31Å; W124-P126 HydrophobicContact CZ3-CG 4.01Å; W124-T132 HydrophobicContact CH2-CG2 3.68Å; W124-T132 VanDerWaalsContact CH2-OG1 3.29Å; W124-T132 WeakPolarHBondContact CH2-OG1 3.13Å; W124-T132 HydrophobicContact CZ3-CG2 4.08Å; W124-T132 WeakPolarHBondContact CZ3-OG1 3.46Å |
| 125 | C | 70.5 | Confident | 74.3 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 63% | 0.628 | 42% | 0.42 | S | S | * | . | trans | -115.6 | 128.7 | 166.4 | -64 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 126 | P | 69.2 | Low | 74.6 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 26% | 0.26 | 43% | 0.427 | S | S | . | . | trans | -55.2 | 143.1 | 171.6 | -23.7 | 33.3 | 0 | 0 | 0 | 110.9 | L96 W124 H128 | L96-P126 HydrophobicContact CD2-CG 3.8Å; W124-P126 HydrophobicContact CE3-CG 4.47Å; W124-P126 HydrophobicContact CH2-CB 4.33Å; W124-P126 HydrophobicContact CH2-CG 3.93Å; W124-P126 HydrophobicContact CZ2-CB 4.37Å; W124-P126 HydrophobicContact CZ2-CG 4.31Å; W124-P126 HydrophobicContact CZ3-CG 4.01Å; P126-H128 PolarHBondContact O-N 3.44Å | ||
| 127 | P | 63.3 | Low | 74.7 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 59% | 0.591 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -70.2 | -8.3 | -177.5 | 26.9 | -34.4 | 0 | 0 | 0 | 114.4 | ||
| 128 | H | 58.1 | Low | 75 | Confident | 139 Ų | 139 | 74.9 Ų | 74.9 | 64% | 0.644 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -139.9 | 160.3 | -179.2 | -59.4 | -51.4 | 0 | 0 | 0 | 110.3 | P126 E130 | P126-H128 PolarHBondContact O-N 3.44Å; H128-E130 PolarHBondContact O-N 3.42Å; H128-E130 VanDerWaalsContact O-N 3.08Å |
| 129 | D | 54.9 | Low | 75.3 | Confident | 180 Ų | 180 | 73.8 Ų | 73.8 | 96% | 0.963 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -66.8 | -1.7 | 172.3 | -65.5 | -44.9 | 0 | 0 | 0 | 113.6 | ||
| 130 | E | 57 | Low | 75.4 | Confident | 153 Ų | 153 | 75.3 Ų | 75.3 | 72% | 0.715 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -75.9 | 133.9 | 174.3 | -67.4 | -164.6 | 150 | 0 | 0 | 111.4 | H128 | H128-E130 PolarHBondContact O-N 3.42Å; H128-E130 VanDerWaalsContact O-N 3.08Å |
| 131 | P | 61.8 | Low | 75.2 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 139.8 | -179.9 | 28.2 | -34.7 | 0 | 0 | 0 | 111.4 | C133 | P131-C133 PolarHBondContact O-N 2.82Š|
| 132 | T | 68.6 | Low | 75.2 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 10% | 0.104 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -46.3 | 123.3 | 174.4 | -45 | 0 | 0 | 0 | 0 | 111.4 | M95 W124 | M95-T132 HydrophobicContact CE-CG2 3.7Å; M95-T132 HydrophobicContact SD-CG2 3.61Å; W124-T132 HydrophobicContact CH2-CG2 3.68Å; W124-T132 VanDerWaalsContact CH2-OG1 3.29Å; W124-T132 WeakPolarHBondContact CH2-OG1 3.13Å; W124-T132 HydrophobicContact CZ3-CG2 4.08Å; W124-T132 WeakPolarHBondContact CZ3-OG1 3.46Å |
| 133 | C | 83.2 | Confident | 75.3 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | trans | -126.9 | 104.5 | -172 | -174 | 0 | 0 | 0 | 0 | 109.7 | P131 K153 | P131-C133 PolarHBondContact O-N 2.82Å; C133-K153 PolarHBondContact SG-NZ 3.33Å | ||
| 134 | M | 88.3 | Confident | 75.7 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | trans | -100.7 | 4.7 | 177.8 | -69.9 | -63.4 | -63.9 | 0 | 0 | 112.3 | D88 L91 M95 L110 P111 R136 P137 I138 | D88-M134 WeakPolarHBondContact OD1-CA 3.48Å; D88-M134 PolarHBondContact OD1-N 3.29Å; L91-M134 HydrophobicContact CD2-CB 3.75Å; L91-M134 HydrophobicContact CD2-CG 3.74Å; L91-M134 HydrophobicContact CG-CG 4.29Å; M95-M134 HydrophobicContact SD-CG 4.31Å; L110-M134 HydrophobicContact CD2-CE 4.06Å; L110-M134 HydrophobicContact CG-CE 4.5Å; P111-M134 HydrophobicContact CG-SD 4.46Å; M134-R136 PolarHBondContact O-N 3.49Å; M134-R136 VanDerWaalsContact O-N 3.1Å; M134-P137 HydrophobicContact CE-CB 4.29Å; M134-P137 HydrophobicContact CE-CG 4.08Å; M134-P137 VanDerWaalsContact O-CD 3.23Å; M134-P137 WeakPolarHBondContact O-CD 3.39Å; M134-I138 HydrophobicContact CB-CD1 4.08Å; M134-I138 WeakPolarHBondContact O-CG1 3.31Å; M134-I138 PolarHBondContact O-N 2.94Å; M134-I138 VanDerWaalsContact O-N 3.12Å | ||
| 135 | L | 90.1 | Very high | 76.1 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -52.2 | -34.8 | -176.6 | -162.8 | 74.1 | 0 | 0 | 0 | 114 | A84 D88 C139 Y146 C149 K150 K153 | A84-L135 HydrophobicContact CB-CD1 4.26Å; D88-L135 HydrophobicContact CB-CB 4.35Å; D88-L135 HydrophobicContact CB-CD1 3.78Å; D88-L135 PolarHBondContact OD1-N 2.93Å; L135-C139 WeakPolarHBondContact O-CB 3.5Å; L135-C139 PolarHBondContact O-N 2.85Å; L135-C139 PolarHBondContact O-SG 3.26Å; L135-Y146 HydrophobicContact CB-CE2 4.44Å; L135-Y146 HydrophobicContact CD2-CE2 4.37Å; L135-C149 HydrophobicContact CD2-CB 4.5Å; L135-K150 HydrophobicContact CD2-CB 4.36Å; L135-K153 HydrophobicContact CD2-CB 4.19Å; L135-K153 HydrophobicContact CD2-CD 3.92Å |
| 136 | R | 88.8 | Confident | 77 | Confident | 126 Ų | 126 | 68.1 Ų | 68.1 | 48% | 0.475 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.8 | -58.2 | 179.5 | 177.9 | 177.4 | -63.7 | -142 | 5.9 | 112.3 | M134 I138 C139 E140 Y146 | M134-R136 PolarHBondContact O-N 3.49Å; M134-R136 VanDerWaalsContact O-N 3.1Å; R136-I138 PolarHBondContact O-N 2.96Å; R136-C139 PolarHBondContact O-N 2.73Å; R136-C139 VanDerWaalsContact O-N 3.08Å; R136-E140 VanDerWaalsContact CD-OE1 3.3Å; R136-E140 WeakPolarHBondContact CD-OE1 3.45Å; R136-E140 VanDerWaalsContact CG-CD 3.44Å; R136-E140 HydrophobicContact CG-CG 4.26Å; R136-E140 WeakPolarHBondContact CG-OE1 3.16Å; R136-E140 WeakPolarHBondContact O-CG 3.42Å; R136-E140 PolarHBondContact O-N 2.66Å; R136-Y146 HydrophobicContact CB-CD2 3.77Å; R136-Y146 HydrophobicContact CB-CE2 3.6Å; R136-Y146 HydrophobicContact CB-CG 4.48Å; R136-Y146 HydrophobicContact CG-CD2 4.28Å; R136-Y146 HydrophobicContact CG-CE2 4.42Å; R136-Y146 VanDerWaalsContact NH2-CE1 3.29Å |
| 137 | P | 86.2 | Confident | 77.9 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 16% | 0.156 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -49.3 | -43.7 | 170 | -30.8 | 33.3 | 0 | 0 | 0 | 113.7 | M134 C139 E140 D141 | M134-P137 HydrophobicContact CE-CB 4.29Å; M134-P137 HydrophobicContact CE-CG 4.08Å; M134-P137 VanDerWaalsContact O-CD 3.23Å; M134-P137 WeakPolarHBondContact O-CD 3.39Å; P137-C139 VanDerWaalsContact C-N 3.35Å; P137-C139 PolarHBondContact O-N 2.74Å; P137-E140 PolarHBondContact O-N 3.03Å; P137-D141 WeakPolarHBondContact O-CB 3.41Å; P137-D141 PolarHBondContact O-N 3.14Å |
| 138 | I | 87.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 179 | -65.7 | 168 | 0 | 0 | 0 | 111.3 | L36 A84 L87 D88 L91 M134 R136 N142 | L36-I138 HydrophobicContact CD1-CD1 3.88Å; L36-I138 HydrophobicContact CD1-CG1 3.92Å; L36-I138 HydrophobicContact CD2-CG1 3.98Å; A84-I138 HydrophobicContact CB-CG2 3.97Å; L87-I138 HydrophobicContact CB-CD1 4.35Å; D88-I138 HydrophobicContact CB-CD1 3.85Å; L91-I138 HydrophobicContact CD2-CD1 4.49Å; M134-I138 HydrophobicContact CB-CD1 4.08Å; M134-I138 WeakPolarHBondContact O-CG1 3.31Å; M134-I138 PolarHBondContact O-N 2.94Å; M134-I138 VanDerWaalsContact O-N 3.12Å; R136-I138 PolarHBondContact O-N 2.96Å; I138-N142 PolarHBondContact O-ND2 2.83Å |
| 139 | C | 88.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 175.5 | -73.4 | 0 | 0 | 0 | 0 | 112.5 | L135 R136 P137 N142 D143 V144 | L135-C139 WeakPolarHBondContact O-CB 3.5Å; L135-C139 PolarHBondContact O-N 2.85Å; L135-C139 PolarHBondContact O-SG 3.26Å; R136-C139 PolarHBondContact O-N 2.73Å; R136-C139 VanDerWaalsContact O-N 3.08Å; P137-C139 VanDerWaalsContact C-N 3.35Å; P137-C139 PolarHBondContact O-N 2.74Å; C139-N142 PolarHBondContact O-N 3.4Å; C139-D143 PolarHBondContact O-N 2.97Å; C139-D143 VanDerWaalsContact O-N 3.16Å; C139-V144 HydrophobicContact CB-CB 4.1Å; C139-V144 WeakPolarHBondContact CB-O 3.47Å; C139-V144 PolarHBondContact O-N 3.31Å |
| 140 | E | 84.4 | Confident | 82.1 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | -178.3 | -72.2 | 167.3 | 175.7 | 0 | 0 | 111.7 | R136 P137 N142 D143 | R136-E140 VanDerWaalsContact CD-OE1 3.3Å; R136-E140 WeakPolarHBondContact CD-OE1 3.45Å; R136-E140 VanDerWaalsContact CG-CD 3.44Å; R136-E140 HydrophobicContact CG-CG 4.26Å; R136-E140 WeakPolarHBondContact CG-OE1 3.16Å; R136-E140 WeakPolarHBondContact O-CG 3.42Å; R136-E140 PolarHBondContact O-N 2.66Å; P137-E140 PolarHBondContact O-N 3.03Å; E140-N142 PolarHBondContact O-N 3.06Å; E140-D143 PolarHBondContact O-N 3.11Å |
| 141 | D | 78.4 | Confident | 83.6 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -15.8 | 177.1 | -86.1 | 1.3 | 0 | 0 | 0 | 114.2 | P137 | P137-D141 WeakPolarHBondContact O-CB 3.41Å; P137-D141 PolarHBondContact O-N 3.14Å |
| 142 | N | 78 | Confident | 84.8 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 12.8 | -174.9 | -64.3 | -89 | 0 | 0 | 0 | 113.4 | S32 I138 C139 E140 V144 | S32-N142 PolarHBondContact OG-OD1 3.29Å; I138-N142 PolarHBondContact O-ND2 2.83Å; C139-N142 PolarHBondContact O-N 3.4Å; E140-N142 PolarHBondContact O-N 3.06Å; N142-V144 VanDerWaalsContact C-N 3.26Å; N142-V144 HydrophobicContact CB-CG2 3.96Å; N142-V144 WeakPolarHBondContact O-CG2 3.27Å; N142-V144 PolarHBondContact O-N 2.87Å |
| 143 | D | 79.4 | Confident | 85.9 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 64% | 0.642 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 34.5 | -178.4 | -66.7 | -49.6 | 0 | 0 | 0 | 114.2 | C139 E140 | C139-D143 PolarHBondContact O-N 2.97Å; C139-D143 VanDerWaalsContact O-N 3.16Å; E140-D143 PolarHBondContact O-N 3.11Å |
| 144 | V | 78.2 | Confident | 86.2 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | trans | -96.7 | 140.5 | -177.3 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | H81 C139 N142 Y146 C149 | H81-V144 WeakPolarHBondContact ND1-CG1 3.06Å; C139-V144 HydrophobicContact CB-CB 4.1Å; C139-V144 WeakPolarHBondContact CB-O 3.47Å; C139-V144 PolarHBondContact O-N 3.31Å; N142-V144 VanDerWaalsContact C-N 3.26Å; N142-V144 HydrophobicContact CB-CG2 3.96Å; N142-V144 WeakPolarHBondContact O-CG2 3.27Å; N142-V144 PolarHBondContact O-N 2.87Å; V144-Y146 PolarHBondContact O-N 3.01Å; V144-C149 HydrophobicContact CG1-CB 4.33Å | ||
| 145 | N | 83.4 | Confident | 86 | Confident | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | trans | -66.8 | 101.3 | 174.5 | -174.5 | -12.7 | 0 | 0 | 0 | 111.6 | H81 V147 E148 C149 | H81-N145 PolarHBondContact CE1-O 3.27Å; N145-V147 VanDerWaalsContact C-N 3.28Å; N145-V147 PolarHBondContact O-N 2.92Å; N145-V147 PolarHBondContact OD1-N 2.77Å; N145-E148 HydrophobicContact CB-CB 4.28Å; N145-E148 HydrophobicContact CB-CG 4.35Å; N145-E148 WeakPolarHBondContact ND2-CG 3.2Å; N145-E148 PolarHBondContact ND2-OE1 3.48Å; N145-E148 PolarHBondContact O-N 3.47Å; N145-C149 WeakPolarHBondContact O-CB 3.49Å; N145-C149 PolarHBondContact O-N 2.88Å | ||
| 146 | Y | 88.7 | Confident | 85.8 | Confident | 51 Ų | 51 | 65 Ų | 65 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55 | -35 | 178.4 | 170.2 | -102.6 | 0 | 0 | 0 | 114.4 | L135 R136 V144 K150 | L135-Y146 HydrophobicContact CB-CE2 4.44Å; L135-Y146 HydrophobicContact CD2-CE2 4.37Å; R136-Y146 HydrophobicContact CB-CD2 3.77Å; R136-Y146 HydrophobicContact CB-CE2 3.6Å; R136-Y146 HydrophobicContact CB-CG 4.48Å; R136-Y146 HydrophobicContact CG-CD2 4.28Å; R136-Y146 HydrophobicContact CG-CE2 4.42Å; R136-Y146 VanDerWaalsContact NH2-CE1 3.29Å; V144-Y146 PolarHBondContact O-N 3.01Å; Y146-K150 HydrophobicContact CE1-CD 4.38Å; Y146-K150 VanDerWaalsContact O-CB 3.24Å; Y146-K150 WeakPolarHBondContact O-CB 3.44Å; Y146-K150 PolarHBondContact O-N 3.19Å |
| 147 | V | 87.6 | Confident | 86 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 59% | 0.594 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.3 | -43.9 | -176.2 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | N145 T151 | N145-V147 VanDerWaalsContact C-N 3.28Å; N145-V147 PolarHBondContact O-N 2.92Å; N145-V147 PolarHBondContact OD1-N 2.77Å; V147-T151 PolarHBondContact O-N 2.91Å; V147-T151 VanDerWaalsContact O-N 3.17Å; V147-T151 PolarHBondContact O-OG1 2.71Å |
| 148 | E | 86.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -47 | 173.3 | -70.9 | 167.1 | -155.9 | 0 | 0 | 110.9 | H81 N145 K150 T151 V152 | H81-E148 IonicContact CD2-OE2 3.01Å; H81-E148 IonicContact CE1-OE2 3.93Å; H81-E148 VanDerWaalsContact NE2-CB 3.35Å; H81-E148 WeakPolarHBondContact NE2-CB 3.43Å; H81-E148 IonicContact NE2-OE2 3.73Å; H81-E148 PolarHBondContact NE2-OE2 3.17Å; N145-E148 HydrophobicContact CB-CB 4.28Å; N145-E148 HydrophobicContact CB-CG 4.35Å; N145-E148 WeakPolarHBondContact ND2-CG 3.2Å; N145-E148 PolarHBondContact ND2-OE1 3.48Å; N145-E148 PolarHBondContact O-N 3.47Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.35Å; E148-T151 WeakPolarHBondContact O-CA 3.29Å; E148-T151 VanDerWaalsContact O-CB 3.26Å; E148-T151 WeakPolarHBondContact O-CB 3.31Å; E148-T151 PolarHBondContact O-N 3.34Å; E148-V152 PolarHBondContact O-N 3.16Å |
| 149 | C | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 179 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | H81 L135 V144 N145 T151 V152 K153 | H81-C149 HydrophobicContact CB-CB 4.35Å; H81-C149 PolarHBondContact O-SG 3.28Å; H81-C149 VanDerWaalsContact O-SG 3.32Å; L135-C149 HydrophobicContact CD2-CB 4.5Å; V144-C149 HydrophobicContact CG1-CB 4.33Å; N145-C149 WeakPolarHBondContact O-CB 3.49Å; N145-C149 PolarHBondContact O-N 2.88Å; C149-T151 VanDerWaalsContact C-N 3.3Å; C149-T151 PolarHBondContact O-N 3.08Å; C149-V152 PolarHBondContact O-N 2.96Å; C149-K153 PolarHBondContact O-N 2.79Å |
| 150 | K | 91.2 | Very high | 86.6 | Confident | 103 Ų | 103 | 67 Ų | 67 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 172.1 | -175 | 178.9 | -177.9 | 177.9 | 0 | 112.1 | L135 Y146 E148 K153 E154 | L135-K150 HydrophobicContact CD2-CB 4.36Å; Y146-K150 HydrophobicContact CE1-CD 4.38Å; Y146-K150 VanDerWaalsContact O-CB 3.24Å; Y146-K150 WeakPolarHBondContact O-CB 3.44Å; Y146-K150 PolarHBondContact O-N 3.19Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.35Å; K150-K153 PolarHBondContact O-N 3.49Å; K150-E154 PolarHBondContact O-N 2.83Å |
| 151 | T | 87.8 | Confident | 87 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.4 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | V147 E148 C149 H155 | V147-T151 PolarHBondContact O-N 2.91Å; V147-T151 VanDerWaalsContact O-N 3.17Å; V147-T151 PolarHBondContact O-OG1 2.71Å; E148-T151 WeakPolarHBondContact O-CA 3.29Å; E148-T151 VanDerWaalsContact O-CB 3.26Å; E148-T151 WeakPolarHBondContact O-CB 3.31Å; E148-T151 PolarHBondContact O-N 3.34Å; C149-T151 VanDerWaalsContact C-N 3.3Å; C149-T151 PolarHBondContact O-N 3.08Å; T151-H155 WeakPolarHBondContact O-CB 3.33Å; T151-H155 PolarHBondContact O-CD2 2.98Å; T151-H155 PolarHBondContact O-N 3.42Å; T151-H155 VanDerWaalsContact O-N 3.07Å |
| 152 | V | 88.3 | Confident | 87.7 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 13% | 0.127 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | H81 E148 C149 F156 F157 | H81-V152 HydrophobicContact CB-CB 4.26Å; H81-V152 HydrophobicContact CB-CG1 4.39Å; H81-V152 HydrophobicContact CB-CG2 3.94Å; E148-V152 PolarHBondContact O-N 3.16Å; C149-V152 PolarHBondContact O-N 2.96Å; V152-F156 PolarHBondContact O-N 3.48Å; V152-F156 VanDerWaalsContact O-N 3.13Å; V152-F157 PolarHBondContact O-N 3.43Å |
| 153 | K | 91.2 | Very high | 88.4 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -56.5 | -54.6 | 178 | -178.1 | 173.2 | 168.1 | 169.8 | 0 | 112 | D88 C133 L135 C149 K150 R158 | D88-K153 IonicContact OD1-NZ 2.65Å; D88-K153 WeakPolarHBondContact OD2-CE 3.41Å; D88-K153 IonicContact OD2-NZ 2.72Å; D88-K153 PolarHBondContact OD2-NZ 2.96Å; C133-K153 PolarHBondContact SG-NZ 3.33Å; L135-K153 HydrophobicContact CD2-CB 4.19Å; L135-K153 HydrophobicContact CD2-CD 3.92Å; C149-K153 PolarHBondContact O-N 2.79Å; K150-K153 PolarHBondContact O-N 3.49Å; K153-R158 VanDerWaalsContact O-CB 3.26Å; K153-R158 WeakPolarHBondContact O-CB 3.41Å; K153-R158 PolarHBondContact O-N 3.18Å |
| 154 | E | 89.6 | Confident | 89.1 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -77.3 | -39.9 | -172.1 | -64 | -54.2 | 144.6 | 0 | 0 | 113.6 | K150 R158 P159 | K150-E154 PolarHBondContact O-N 2.83Å; E154-R158 VanDerWaalsContact OE2-CD 3.25Å; E154-R158 WeakPolarHBondContact OE2-CD 3.48Å; E154-R158 IonicContact OE2-CZ 3.88Å; E154-R158 IonicContact OE2-NE 2.76Å; E154-R158 IonicContact OE2-NH1 3.73Å; E154-R158 PolarHBondContact OE2-NH1 3.05Å; E154-P159 WeakPolarHBondContact O-CD 3.45Å |
| 155 | H | 84.6 | Confident | 89.8 | Confident | 133 Ų | 133 | 62.2 Ų | 62.2 | 62% | 0.616 | 30% | 0.298 | S | S | * | . | I | π-helix | trans | -91.9 | -23.3 | -172.4 | -67.8 | -73.6 | 0 | 0 | 0 | 114.9 | T151 | T151-H155 WeakPolarHBondContact O-CB 3.33Å; T151-H155 PolarHBondContact O-CD2 2.98Å; T151-H155 PolarHBondContact O-N 3.42Å; T151-H155 VanDerWaalsContact O-N 3.07Å |
| 156 | F | 85.3 | Confident | 90.3 | Very high | 106 Ų | 106 | 66.5 Ų | 66.5 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -120.3 | -55.4 | -175.1 | -60.7 | -92.7 | 0 | 0 | 0 | 111.9 | F69 V152 F160 | F69-F156 HydrophobicContact CD1-CD1 4.42Å; F69-F156 HydrophobicContact CE1-CB 4.29Å; F69-F156 HydrophobicContact CE1-CD1 4.14Å; F69-F156 HydrophobicContact CZ-CB 4.11Å; F69-F156 WeakPolarHBondContact CZ-O 3.48Å; V152-F156 PolarHBondContact O-N 3.48Å; V152-F156 VanDerWaalsContact O-N 3.13Å; F156-F160 WeakPolarHBondContact O-CB 3.38Å; F156-F160 PolarHBondContact O-N 3.27Å |
| 157 | F | 92 | Very high | 90.5 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -69.1 | -49.7 | -173.9 | -173.3 | -103.4 | 0 | 0 | 0 | 112.3 | L82 C85 W89 V152 F160 M161 | L82-F157 HydrophobicContact CD1-CD2 3.7Å; L82-F157 HydrophobicContact CD1-CE2 4.38Å; C85-F157 HydrophobicContact CB-CB 4.19Å; C85-F157 HydrophobicContact CB-CD1 3.82Å; C85-F157 HydrophobicContact CB-CD2 4.04Å; C85-F157 HydrophobicContact CB-CE1 4.18Å; C85-F157 HydrophobicContact CB-CE2 4.38Å; C85-F157 HydrophobicContact CB-CG 3.74Å; C85-F157 HydrophobicContact CB-CZ 4.43Å; W89-F157 HydrophobicContact CB-CE1 3.74Å; W89-F157 HydrophobicContact CB-CZ 4.07Å; W89-F157 AromaticContact CG-CE1 3.95Å; W89-F157 HydrophobicContact CG-CE1 3.95Å; W89-F157 HydrophobicContact CG-CZ 4.32Å; V152-F157 PolarHBondContact O-N 3.43Å; F157-F160 CarbonylContact O-C 3.18Å; F157-F160 WeakPolarHBondContact O-CA 3.35Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 3.32Å; F157-M161 HydrophobicContact CD1-CG 3.9Å; F157-M161 HydrophobicContact CD2-CG 4.45Å; F157-M161 HydrophobicContact CE1-CG 3.51Å; F157-M161 HydrophobicContact CE1-SD 4.12Å; F157-M161 HydrophobicContact CE2-CG 4.12Å; F157-M161 HydrophobicContact CE2-SD 3.85Å; F157-M161 HydrophobicContact CG-CG 4.35Å; F157-M161 HydrophobicContact CZ-CE 4.27Å; F157-M161 HydrophobicContact CZ-CG 3.65Å; F157-M161 HydrophobicContact CZ-SD 3.6Å; F157-M161 VanDerWaalsContact CZ-SD 3.6Å; F157-M161 WeakPolarHBondContact O-CG 3.19Å; F157-M161 PolarHBondContact O-N 3.47Å |
| 158 | R | 91.9 | Very high | 90.6 | Very high | 130 Ų | 130 | 70.7 Ų | 70.7 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -47.1 | -179.7 | 177.8 | -179.3 | -173.4 | 173.7 | 3.3 | 113.2 | K153 E154 F160 M161 L162 | K153-R158 VanDerWaalsContact O-CB 3.26Å; K153-R158 WeakPolarHBondContact O-CB 3.41Å; K153-R158 PolarHBondContact O-N 3.18Å; E154-R158 VanDerWaalsContact OE2-CD 3.25Å; E154-R158 WeakPolarHBondContact OE2-CD 3.48Å; E154-R158 IonicContact OE2-CZ 3.88Å; E154-R158 IonicContact OE2-NE 2.76Å; E154-R158 IonicContact OE2-NH1 3.73Å; E154-R158 PolarHBondContact OE2-NH1 3.05Å; R158-F160 PolarHBondContact O-N 2.97Å; R158-M161 PolarHBondContact O-N 2.84Å; R158-L162 WeakPolarHBondContact O-CG 3.49Å; R158-L162 PolarHBondContact O-N 3.08Å; R158-L162 VanDerWaalsContact O-N 3.08Å |
| 159 | P | 90.3 | Very high | 91 | Very high | 54 Ų | 54 | 67.8 Ų | 67.8 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -22.9 | 172 | -24.4 | 35.6 | 0 | 0 | 0 | 114.5 | E154 R163 | E154-P159 WeakPolarHBondContact O-CD 3.45Å; P159-R163 WeakPolarHBondContact O-CG 3.41Å; P159-R163 PolarHBondContact O-N 3.41Å; P159-R163 PolarHBondContact O-NE 3.05Å |
| 160 | F | 92.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -75.5 | -46.5 | 172 | 174.7 | -108.1 | 0 | 0 | 0 | 112.1 | K64 S65 S68 F69 F156 F157 R158 L162 R163 L164 | K64-F160 HydrophobicContact CG-CZ 4.49Å; S65-F160 VanDerWaalsContact OG-CE1 3.3Å; S65-F160 WeakPolarHBondContact OG-CE1 3.46Å; S68-F160 VanDerWaalsContact CB-CE2 3.43Å; S68-F160 WeakPolarHBondContact OG-CE2 3.49Å; S68-F160 WeakPolarHBondContact OG-CZ 3.31Å; F69-F160 HydrophobicContact CE2-CB 3.79Å; F69-F160 HydrophobicContact CE2-CD1 4.45Å; F69-F160 HydrophobicContact CE2-CD2 4.32Å; F69-F160 AromaticContact CE2-CG 3.94Å; F69-F160 HydrophobicContact CE2-CG 3.94Å; F69-F160 HydrophobicContact CZ-CB 3.8Å; F69-F160 HydrophobicContact CZ-CG 4.32Å; F156-F160 WeakPolarHBondContact O-CB 3.38Å; F156-F160 PolarHBondContact O-N 3.27Å; F157-F160 CarbonylContact O-C 3.18Å; F157-F160 WeakPolarHBondContact O-CA 3.35Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 3.32Å; R158-F160 PolarHBondContact O-N 2.97Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.99Å; F160-R163 WeakPolarHBondContact O-CB 3.2Å; F160-R163 PolarHBondContact O-N 2.87Å; F160-L164 HydrophobicContact CD1-CD1 4.15Å; F160-L164 HydrophobicContact CD1-CG 4.41Å; F160-L164 HydrophobicContact CE1-CD1 3.46Å; F160-L164 VanDerWaalsContact CE1-CD1 3.46Å; F160-L164 HydrophobicContact CE1-CD2 4.4Å; F160-L164 HydrophobicContact CE1-CG 3.95Å; F160-L164 HydrophobicContact CE2-CD1 4.45Å; F160-L164 HydrophobicContact CE2-CD2 3.96Å; F160-L164 HydrophobicContact CE2-CG 4.12Å; F160-L164 HydrophobicContact CZ-CD1 3.65Å; F160-L164 HydrophobicContact CZ-CD2 3.77Å; F160-L164 HydrophobicContact CZ-CG 3.81Å; F160-L164 PolarHBondContact O-N 3.33Å |
| 161 | M | 93.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 177.4 | -63.4 | -50.3 | -75.2 | 0 | 0 | 112.1 | L61 W89 F157 R158 R163 L164 I165 I170 | L61-M161 HydrophobicContact CD1-CE 3.68Å; L61-M161 HydrophobicContact CD1-SD 3.83Å; L61-M161 HydrophobicContact CD2-CE 3.99Å; L61-M161 HydrophobicContact CG-CE 4.45Å; W89-M161 HydrophobicContact CD2-CE 3.61Å; W89-M161 HydrophobicContact CE3-CE 3.87Å; W89-M161 HydrophobicContact CG-CE 4.29Å; W89-M161 HydrophobicContact CH2-CE 3.62Å; W89-M161 HydrophobicContact CZ2-CE 3.33Å; W89-M161 HydrophobicContact CZ3-CE 3.89Å; F157-M161 HydrophobicContact CD1-CG 3.9Å; F157-M161 HydrophobicContact CD2-CG 4.45Å; F157-M161 HydrophobicContact CE1-CG 3.51Å; F157-M161 HydrophobicContact CE1-SD 4.12Å; F157-M161 HydrophobicContact CE2-CG 4.12Å; F157-M161 HydrophobicContact CE2-SD 3.85Å; F157-M161 HydrophobicContact CG-CG 4.35Å; F157-M161 HydrophobicContact CZ-CE 4.27Å; F157-M161 HydrophobicContact CZ-CG 3.65Å; F157-M161 HydrophobicContact CZ-SD 3.6Å; F157-M161 VanDerWaalsContact CZ-SD 3.6Å; F157-M161 WeakPolarHBondContact O-CG 3.19Å; F157-M161 PolarHBondContact O-N 3.47Å; R158-M161 PolarHBondContact O-N 2.84Å; M161-R163 VanDerWaalsContact C-N 3.33Å; M161-R163 PolarHBondContact O-N 3.4Å; M161-L164 PolarHBondContact O-N 3Å; M161-L164 HydrophobicContact SD-CD1 4.09Å; M161-I165 WeakPolarHBondContact O-CG1 3.47Å; M161-I165 PolarHBondContact O-N 3.32Å; M161-I170 HydrophobicContact CE-CD1 3.42Å; M161-I170 VanDerWaalsContact CE-CD1 3.42Å; M161-I170 HydrophobicContact SD-CD1 4.45Å |
| 162 | L | 92.1 | Very high | 91.3 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.7 | -41.9 | 173.2 | -69.7 | 173.7 | 0 | 0 | 0 | 112.2 | R158 F160 L164 I165 E166 | R158-L162 WeakPolarHBondContact O-CG 3.49Å; R158-L162 PolarHBondContact O-N 3.08Å; R158-L162 VanDerWaalsContact O-N 3.08Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.99Å; L162-L164 PolarHBondContact O-N 3.15Å; L162-I165 PolarHBondContact O-N 3.39Å; L162-E166 WeakPolarHBondContact O-CB 3.38Å; L162-E166 PolarHBondContact O-N 2.82Å |
| 163 | R | 93.8 | Very high | 91.1 | Very high | 113 Ų | 113 | 69.4 Ų | 69.4 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67 | -32 | 175.2 | -74.8 | 179 | -67.3 | 151.1 | -1.2 | 113.3 | P159 F160 M161 K167 | P159-R163 WeakPolarHBondContact O-CG 3.41Å; P159-R163 PolarHBondContact O-N 3.41Å; P159-R163 PolarHBondContact O-NE 3.05Å; F160-R163 WeakPolarHBondContact O-CB 3.2Å; F160-R163 PolarHBondContact O-N 2.87Å; M161-R163 VanDerWaalsContact C-N 3.33Å; M161-R163 PolarHBondContact O-N 3.4Å; R163-K167 VanDerWaalsContact O-CB 3.26Å; R163-K167 WeakPolarHBondContact O-CB 3.41Å; R163-K167 VanDerWaalsContact O-CG 3.3Å; R163-K167 WeakPolarHBondContact O-CG 3.5Å; R163-K167 PolarHBondContact O-N 3.23Å |
| 164 | L | 94.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 174.3 | -68.9 | -173.3 | 0 | 0 | 0 | 111.8 | L61 F160 M161 L162 D168 L169 I170 L193 | L61-L164 HydrophobicContact CD1-CD1 4.27Å; F160-L164 HydrophobicContact CD1-CD1 4.15Å; F160-L164 HydrophobicContact CD1-CG 4.41Å; F160-L164 HydrophobicContact CE1-CD1 3.46Å; F160-L164 VanDerWaalsContact CE1-CD1 3.46Å; F160-L164 HydrophobicContact CE1-CD2 4.4Å; F160-L164 HydrophobicContact CE1-CG 3.95Å; F160-L164 HydrophobicContact CE2-CD1 4.45Å; F160-L164 HydrophobicContact CE2-CD2 3.96Å; F160-L164 HydrophobicContact CE2-CG 4.12Å; F160-L164 HydrophobicContact CZ-CD1 3.65Å; F160-L164 HydrophobicContact CZ-CD2 3.77Å; F160-L164 HydrophobicContact CZ-CG 3.81Å; F160-L164 PolarHBondContact O-N 3.33Å; M161-L164 PolarHBondContact O-N 3Å; M161-L164 HydrophobicContact SD-CD1 4.09Å; L162-L164 PolarHBondContact O-N 3.15Å; L164-D168 PolarHBondContact O-N 2.92Å; L164-L169 HydrophobicContact CB-CB 4.45Å; L164-L169 HydrophobicContact CD2-CB 4.21Å; L164-L169 HydrophobicContact CD2-CD1 3.64Å; L164-L169 WeakPolarHBondContact O-CB 3.37Å; L164-L169 PolarHBondContact O-N 3.41Å; L164-I170 HydrophobicContact CB-CD1 3.76Å; L164-I170 HydrophobicContact CB-CG1 3.99Å; L164-I170 HydrophobicContact CD1-CD1 3.66Å; L164-I170 HydrophobicContact CD1-CG1 4.3Å; L164-I170 HydrophobicContact CG-CD1 4.39Å; L164-I170 PolarHBondContact O-N 3.09Å; L164-I170 VanDerWaalsContact O-N 3.13Å; L164-L193 HydrophobicContact CD1-CD2 4.17Å |
| 165 | I | 93.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 74 Ų | 74 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.4 | -47.2 | 175.9 | -63.7 | 160.7 | 0 | 0 | 0 | 110.3 | M161 L162 K167 D168 I170 L172 | M161-I165 WeakPolarHBondContact O-CG1 3.47Å; M161-I165 PolarHBondContact O-N 3.32Å; L162-I165 PolarHBondContact O-N 3.39Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 2.92Å; I165-D168 PolarHBondContact O-N 2.87Å; I165-I170 HydrophobicContact CG1-CB 4.02Å; I165-I170 HydrophobicContact CG1-CG2 4.05Å; I165-L172 HydrophobicContact CD1-CD1 3.73Å; I165-L172 HydrophobicContact CG1-CD1 4.05Å; I165-L172 HydrophobicContact CG2-CD1 4.32Å |
| 166 | E | 92.8 | Very high | 90.5 | Very high | 160 Ų | 160 | 71.7 Ų | 71.7 | 75% | 0.748 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.3 | -36.5 | 177.1 | -176.8 | -175.3 | -161.4 | 0 | 0 | 112.6 | L162 D168 | L162-E166 WeakPolarHBondContact O-CB 3.38Å; L162-E166 PolarHBondContact O-N 2.82Å; E166-D168 VanDerWaalsContact C-N 3.25Å; E166-D168 PolarHBondContact O-N 3.49Å |
| 167 | K | 92.5 | Very high | 90.6 | Very high | 152 Ų | 152 | 68.2 Ų | 68.2 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 9.6 | 175.1 | -71.1 | -171.7 | 173 | -165.9 | 0 | 114.4 | R163 I165 L169 | R163-K167 VanDerWaalsContact O-CB 3.26Å; R163-K167 WeakPolarHBondContact O-CB 3.41Å; R163-K167 VanDerWaalsContact O-CG 3.3Å; R163-K167 WeakPolarHBondContact O-CG 3.5Å; R163-K167 PolarHBondContact O-N 3.23Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 2.92Å; K167-L169 HydrophobicContact CB-CD1 4.32Å; K167-L169 HydrophobicContact CB-CG 4.16Å; K167-L169 PolarHBondContact O-N 3.15Å |
| 168 | D | 90.7 | Very high | 90.3 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 15.7 | -179.9 | -93.4 | -31.2 | 0 | 0 | 0 | 114.8 | L164 I165 E166 K171 N192 | L164-D168 PolarHBondContact O-N 2.92Å; I165-D168 PolarHBondContact O-N 2.87Å; E166-D168 VanDerWaalsContact C-N 3.25Å; E166-D168 PolarHBondContact O-N 3.49Å; D168-K171 HydrophobicContact CB-CD 4.47Å; D168-K171 WeakPolarHBondContact OD1-CE 3.34Å; D168-K171 IonicContact OD1-NZ 2.86Å; D168-K171 PolarHBondContact OD1-NZ 2.97Å; D168-K171 IonicContact OD2-NZ 2.85Å; D168-K171 PolarHBondContact OD2-NZ 2.91Å; D168-N192 PolarHBondContact O-ND2 3.26Å |
| 169 | L | 93 | Very high | 90.3 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -75.5 | -28.4 | 175 | -64.7 | 176.1 | 0 | 0 | 0 | 111.5 | L164 K167 N192 L193 N196 | L164-L169 HydrophobicContact CB-CB 4.45Å; L164-L169 HydrophobicContact CD2-CB 4.21Å; L164-L169 HydrophobicContact CD2-CD1 3.64Å; L164-L169 WeakPolarHBondContact O-CB 3.37Å; L164-L169 PolarHBondContact O-N 3.41Å; K167-L169 HydrophobicContact CB-CD1 4.32Å; K167-L169 HydrophobicContact CB-CG 4.16Å; K167-L169 PolarHBondContact O-N 3.15Å; L169-N192 HydrophobicContact CD2-CB 4.06Å; L169-L193 HydrophobicContact CB-CD2 4.41Å; L169-N196 HydrophobicContact CD2-CB 4.28Å |
| 170 | I | 95 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -115.3 | 116.3 | 166.8 | -66.2 | 175 | 0 | 0 | 0 | 107.8 | L61 W89 M161 L164 I165 L172 L180 T189 L193 | L61-I170 HydrophobicContact CD1-CD1 4.49Å; W89-I170 HydrophobicContact CH2-CD1 4.11Å; W89-I170 HydrophobicContact CH2-CG2 4.23Å; W89-I170 HydrophobicContact CZ2-CD1 4.45Å; M161-I170 HydrophobicContact CE-CD1 3.42Å; M161-I170 VanDerWaalsContact CE-CD1 3.42Å; M161-I170 HydrophobicContact SD-CD1 4.45Å; L164-I170 HydrophobicContact CB-CD1 3.76Å; L164-I170 HydrophobicContact CB-CG1 3.99Å; L164-I170 HydrophobicContact CD1-CD1 3.66Å; L164-I170 HydrophobicContact CD1-CG1 4.3Å; L164-I170 HydrophobicContact CG-CD1 4.39Å; L164-I170 PolarHBondContact O-N 3.09Å; L164-I170 VanDerWaalsContact O-N 3.13Å; I165-I170 HydrophobicContact CG1-CB 4.02Å; I165-I170 HydrophobicContact CG1-CG2 4.05Å; I170-L172 HydrophobicContact CG2-CD2 4.38Å; I170-L172 HydrophobicContact CG2-CG 4.27Å; I170-L180 HydrophobicContact CG2-CD1 3.92Å; I170-T189 HydrophobicContact CB-CG2 4.25Å; I170-T189 HydrophobicContact CG1-CG2 3.92Å; I170-T189 HydrophobicContact CG2-CG2 4.33Å; I170-L193 HydrophobicContact CG1-CD1 4.48Å; I170-L193 HydrophobicContact CG1-CD2 4.47Å |
| 171 | K | 90.7 | Very high | 90.2 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 22% | 0.222 | 31% | 0.308 | C | S | . | . | trans | -88.9 | 125.1 | 179.1 | -69.7 | -65.4 | -174.3 | 169.7 | 0 | 110.7 | D168 N185 I188 T189 | D168-K171 HydrophobicContact CB-CD 4.47Å; D168-K171 WeakPolarHBondContact OD1-CE 3.34Å; D168-K171 IonicContact OD1-NZ 2.86Å; D168-K171 PolarHBondContact OD1-NZ 2.97Å; D168-K171 IonicContact OD2-NZ 2.85Å; D168-K171 PolarHBondContact OD2-NZ 2.91Å; K171-N185 HydrophobicContact CB-CB 4.33Å; K171-I188 HydrophobicContact CG-CB 4.12Å; K171-I188 HydrophobicContact CG-CG2 3.62Å; K171-T189 PolarHBondContact N-OG1 3.03Å | ||
| 172 | L | 89.3 | Confident | 90 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | trans | -128.8 | 91.8 | 173.6 | -61.7 | 178.1 | 0 | 0 | 0 | 108.5 | I165 I170 P174 S175 L177 S179 L180 | I165-L172 HydrophobicContact CD1-CD1 3.73Å; I165-L172 HydrophobicContact CG1-CD1 4.05Å; I165-L172 HydrophobicContact CG2-CD1 4.32Å; I170-L172 HydrophobicContact CG2-CD2 4.38Å; I170-L172 HydrophobicContact CG2-CG 4.27Å; L172-P174 CarbonylContact C-O 3.49Å; L172-P174 CarbonylContact O-C 3.25Å; L172-S175 WeakPolarHBondContact O-CA 3.5Å; L172-S175 PolarHBondContact O-N 2.84Å; L172-L177 HydrophobicContact CD2-CD1 4.5Å; L172-S179 WeakPolarHBondContact CA-OG 3.39Å; L172-L180 HydrophobicContact CD2-CB 3.84Å; L172-L180 HydrophobicContact CD2-CD1 4.34Å | ||
| 173 | H | 83.8 | Confident | 89.8 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 65% | 0.653 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -128.2 | 114.7 | 173.8 | -178.3 | -82.4 | 0 | 0 | 0 | 110.3 | S179 N185 | H173-S179 PolarHBondContact N-OG 2.71Å; H173-N185 PolarHBondContact N-ND2 3.28Å; H173-N185 PolarHBondContact O-ND2 3.42Å |
| 174 | P | 83.2 | Confident | 89.5 | Confident | 72 Ų | 72 | 63 Ų | 63 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | S | Bend | cis | -61.9 | 163.4 | -4.2 | 28.9 | -36.6 | 0 | 0 | 0 | 112.1 | L172 V176 S179 | L172-P174 CarbonylContact C-O 3.49Å; L172-P174 CarbonylContact O-C 3.25Å; P174-V176 PolarHBondContact O-N 3.13Å; P174-S179 WeakPolarHBondContact O-CB 3.27Å; P174-S179 PolarHBondContact O-OG 2.94Å |
| 175 | S | 84.7 | Confident | 89.5 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 78% | 0.776 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -72.9 | 60.3 | -172.3 | 63 | 0 | 0 | 0 | 0 | 114 | L172 | L172-S175 WeakPolarHBondContact O-CA 3.5Å; L172-S175 PolarHBondContact O-N 2.84Å |
| 176 | V | 85.9 | Confident | 89.5 | Confident | 83 Ų | 83 | 61 Ų | 61 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -136 | 134.1 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | P174 G178 S179 | P174-V176 PolarHBondContact O-N 3.13Å; V176-G178 PolarHBondContact O-N 3.14Å; V176-S179 PolarHBondContact O-N 2.87Å; V176-S179 PolarHBondContact O-OG 3.11Å |
| 177 | L | 87.3 | Confident | 89.4 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -55.3 | -29.8 | -175.7 | 179.8 | 59.9 | 0 | 0 | 0 | 113.7 | W89 A93 L96 L172 S179 L180 | W89-L177 HydrophobicContact CD2-CD1 4.36Å; W89-L177 HydrophobicContact CH2-CD1 3.73Å; W89-L177 HydrophobicContact CZ2-CD1 3.25Å; W89-L177 HydrophobicContact CZ3-CD1 4.42Å; A93-L177 HydrophobicContact CB-CD1 3.98Å; A93-L177 HydrophobicContact CB-CD2 4.36Å; A93-L177 HydrophobicContact CB-CG 3.86Å; L96-L177 HydrophobicContact CD1-CB 3.98Å; L96-L177 HydrophobicContact CD1-CD2 4.25Å; L96-L177 HydrophobicContact CD1-CG 4.39Å; L172-L177 HydrophobicContact CD2-CD1 4.5Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.43Å; L177-L180 VanDerWaalsContact O-CB 3.3Å; L177-L180 WeakPolarHBondContact O-CB 3.37Å; L177-L180 PolarHBondContact O-N 3.36Å |
| 178 | G | 85.8 | Confident | 89.5 | Confident | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -69.5 | -9.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S97 V176 L180 | S97-G178 WeakPolarHBondContact CA-O 3.14Å; S97-G178 WeakPolarHBondContact CB-O 3.19Å; S97-G178 PolarHBondContact OG-O 2.97Å; V176-G178 PolarHBondContact O-N 3.14Å; G178-L180 VanDerWaalsContact C-N 3.29Å |
| 179 | S | 90.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -81 | -10.2 | 172.5 | 70 | 0 | 0 | 0 | 0 | 112.9 | L172 H173 P174 V176 L177 L181 E182 N185 | L172-S179 WeakPolarHBondContact CA-OG 3.39Å; H173-S179 PolarHBondContact N-OG 2.71Å; P174-S179 WeakPolarHBondContact O-CB 3.27Å; P174-S179 PolarHBondContact O-OG 2.94Å; V176-S179 PolarHBondContact O-N 2.87Å; V176-S179 PolarHBondContact O-OG 3.11Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.43Å; S179-L181 PolarHBondContact O-N 3.15Å; S179-E182 VanDerWaalsContact O-CB 3.28Å; S179-E182 WeakPolarHBondContact O-CB 3.34Å; S179-E182 WeakPolarHBondContact O-CG 3.5Å; S179-E182 PolarHBondContact O-N 2.96Å; S179-N185 WeakPolarHBondContact O-CB 3.27Å; S179-N185 PolarHBondContact O-ND2 3.39Å |
| 180 | L | 92.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -35.8 | 179.6 | -179.8 | 67.1 | 0 | 0 | 0 | 113.2 | F57 W89 A93 I170 L172 L177 G178 E182 F186 T189 | F57-L180 HydrophobicContact CE1-CD2 4.11Å; F57-L180 HydrophobicContact CZ-CD2 3.98Å; W89-L180 HydrophobicContact CH2-CD2 3.57Å; W89-L180 HydrophobicContact CZ3-CD2 3.48Å; W89-L180 VanDerWaalsContact CZ3-CD2 3.48Å; A93-L180 HydrophobicContact CB-CD2 3.88Å; I170-L180 HydrophobicContact CG2-CD1 3.92Å; L172-L180 HydrophobicContact CD2-CB 3.84Å; L172-L180 HydrophobicContact CD2-CD1 4.34Å; L177-L180 VanDerWaalsContact O-CB 3.3Å; L177-L180 WeakPolarHBondContact O-CB 3.37Å; L177-L180 PolarHBondContact O-N 3.36Å; G178-L180 VanDerWaalsContact C-N 3.29Å; L180-E182 VanDerWaalsContact C-N 3.33Å; L180-F186 WeakPolarHBondContact O-CA 3.16Å; L180-F186 WeakPolarHBondContact O-CB 3.28Å; L180-F186 PolarHBondContact O-N 3.45Å; L180-T189 HydrophobicContact CD1-CG2 4.15Å |
| 181 | L | 90.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 10.3 | -178.7 | -54.6 | -175.6 | 0 | 0 | 0 | 113.3 | P49 L54 V94 S97 R99 L102 S179 F186 | P49-L181 WeakPolarHBondContact CD-O 3.42Å; L54-L181 HydrophobicContact CD1-CD2 3.97Å; V94-L181 HydrophobicContact CB-CD1 4.21Å; V94-L181 HydrophobicContact CG2-CD1 3.73Å; S97-L181 WeakPolarHBondContact OG-CD1 3.33Å; S97-L181 WeakPolarHBondContact OG-CG 3.41Å; R99-L181 HydrophobicContact CB-CD1 4.43Å; R99-L181 HydrophobicContact CG-CD1 4.22Å; L102-L181 HydrophobicContact CD1-CD1 4.01Å; S179-L181 PolarHBondContact O-N 3.15Å; L181-F186 HydrophobicContact CD2-CD2 3.76Å; L181-F186 HydrophobicContact CD2-CE2 3.84Å |
| 182 | E | 89.3 | Confident | 89.9 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -71.9 | 134.3 | 161.2 | -62.1 | 177.2 | -177.9 | 0 | 0 | 108.4 | S179 L180 E184 N185 F186 | S179-E182 VanDerWaalsContact O-CB 3.28Å; S179-E182 WeakPolarHBondContact O-CB 3.34Å; S179-E182 WeakPolarHBondContact O-CG 3.5Å; S179-E182 PolarHBondContact O-N 2.96Å; L180-E182 VanDerWaalsContact C-N 3.33Å; E182-E184 VanDerWaalsContact C-N 3.33Å; E182-E184 PolarHBondContact O-N 2.88Å; E182-N185 PolarHBondContact O-N 3.25Å; E182-N185 VanDerWaalsContact O-N 3.1Å; E182-N185 PolarHBondContact OE2-ND2 3.02Å; E182-F186 PolarHBondContact O-N 3.28Å |
| 183 | Q | 88 | Confident | 90.2 | Very high | 52 Ų | 52 | 53.8 Ų | 53.8 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.1 | -45.2 | -164.5 | -171.9 | 65.2 | 11.8 | 0 | 0 | 113.3 | M47 R48 P49 F186 E187 | M47-Q183 WeakPolarHBondContact O-CG 3.26Å; M47-Q183 PolarHBondContact O-OE1 2.76Å; R48-Q183 VanDerWaalsContact CA-OE1 3.25Å; P49-Q183 VanDerWaalsContact CD-OE1 3.26Å; Q183-F186 PolarHBondContact O-N 3.1Å; Q183-E187 HydrophobicContact CG-CG 4.48Å; Q183-E187 PolarHBondContact NE2-OE1 2.8Å; Q183-E187 WeakPolarHBondContact O-CB 3.48Å; Q183-E187 WeakPolarHBondContact O-CG 3.14Å; Q183-E187 PolarHBondContact O-N 3.42Å |
| 184 | E | 87.9 | Confident | 90.6 | Very high | 149 Ų | 149 | 49.4 Ų | 49.4 | 70% | 0.696 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.7 | -46.4 | 178.8 | -175.8 | 176 | -175.5 | 0 | 0 | 112.4 | E182 F186 I188 | E182-E184 VanDerWaalsContact C-N 3.33Å; E182-E184 PolarHBondContact O-N 2.88Å; E184-F186 VanDerWaalsContact C-N 3.34Å; E184-F186 PolarHBondContact O-N 3.4Å; E184-I188 HydrophobicContact CG-CD1 4Å; E184-I188 WeakPolarHBondContact O-CD1 3.23Å; E184-I188 VanDerWaalsContact O-CG1 3.27Å; E184-I188 WeakPolarHBondContact O-CG1 3.18Å; E184-I188 PolarHBondContact O-N 3.05Å |
| 185 | N | 93.5 | Very high | 91 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.7 | -72.2 | -35.2 | 0 | 0 | 0 | 111.4 | K171 H173 S179 E182 T189 | K171-N185 HydrophobicContact CB-CB 4.33Å; H173-N185 PolarHBondContact N-ND2 3.28Å; H173-N185 PolarHBondContact O-ND2 3.42Å; S179-N185 WeakPolarHBondContact O-CB 3.27Å; S179-N185 PolarHBondContact O-ND2 3.39Å; E182-N185 PolarHBondContact O-N 3.25Å; E182-N185 VanDerWaalsContact O-N 3.1Å; E182-N185 PolarHBondContact OE2-ND2 3.02Å; N185-T189 WeakPolarHBondContact O-CB 3.19Å; N185-T189 PolarHBondContact O-N 3.46Å; N185-T189 PolarHBondContact O-OG1 3.22Å |
| 186 | F | 94.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.2 | -46.9 | -178.1 | -167.8 | -94.3 | 0 | 0 | 0 | 112.2 | P49 D53 F57 L180 L181 E182 Q183 E184 T189 I190 | P49-F186 HydrophobicContact CB-CD1 3.92Å; P49-F186 HydrophobicContact CB-CD2 4.16Å; P49-F186 HydrophobicContact CB-CE1 3.85Å; P49-F186 HydrophobicContact CB-CE2 4.09Å; P49-F186 HydrophobicContact CB-CG 4.06Å; P49-F186 HydrophobicContact CB-CZ 3.92Å; P49-F186 HydrophobicContact CG-CB 3.68Å; P49-F186 HydrophobicContact CG-CD1 3.48Å; P49-F186 VanDerWaalsContact CG-CD1 3.48Å; P49-F186 HydrophobicContact CG-CD2 3.71Å; P49-F186 HydrophobicContact CG-CE1 3.97Å; P49-F186 HydrophobicContact CG-CE2 4.16Å; P49-F186 HydrophobicContact CG-CG 3.32Å; P49-F186 HydrophobicContact CG-CZ 4.27Å; D53-F186 HydrophobicContact CB-CE1 3.93Å; D53-F186 HydrophobicContact CB-CZ 4.13Å; F57-F186 HydrophobicContact CB-CE2 3.93Å; F57-F186 HydrophobicContact CB-CZ 3.63Å; F57-F186 HydrophobicContact CD1-CE2 4.35Å; F57-F186 HydrophobicContact CD2-CE2 4.2Å; F57-F186 HydrophobicContact CD2-CZ 4.49Å; F57-F186 AromaticContact CG-CE2 3.87Å; F57-F186 HydrophobicContact CG-CE2 3.87Å; F57-F186 HydrophobicContact CG-CZ 4.09Å; L180-F186 WeakPolarHBondContact O-CA 3.16Å; L180-F186 WeakPolarHBondContact O-CB 3.28Å; L180-F186 PolarHBondContact O-N 3.45Å; L181-F186 HydrophobicContact CD2-CD2 3.76Å; L181-F186 HydrophobicContact CD2-CE2 3.84Å; E182-F186 PolarHBondContact O-N 3.28Å; Q183-F186 PolarHBondContact O-N 3.1Å; E184-F186 VanDerWaalsContact C-N 3.34Å; E184-F186 PolarHBondContact O-N 3.4Å; F186-T189 PolarHBondContact O-N 3.45Å; F186-I190 HydrophobicContact CE1-CD1 4.18Å; F186-I190 WeakPolarHBondContact O-CG2 3.25Å; F186-I190 PolarHBondContact O-N 2.83Å |
| 187 | E | 90.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 43.3 Ų | 43.3 | 51% | 0.505 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 178.4 | -76.4 | -179.5 | -176.5 | 0 | 0 | 111.9 | Q183 T189 I190 Q191 | Q183-E187 HydrophobicContact CG-CG 4.48Å; Q183-E187 PolarHBondContact NE2-OE1 2.8Å; Q183-E187 WeakPolarHBondContact O-CB 3.48Å; Q183-E187 WeakPolarHBondContact O-CG 3.14Å; Q183-E187 PolarHBondContact O-N 3.42Å; E187-T189 VanDerWaalsContact C-N 3.34Å; E187-T189 PolarHBondContact O-N 3.16Å; E187-I190 WeakPolarHBondContact O-CG2 3.35Å; E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.31Å; E187-Q191 PolarHBondContact O-N 3.01Å; E187-Q191 VanDerWaalsContact O-N 3.07Å |
| 188 | I | 93.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.3 | -62.3 | 166.3 | 0 | 0 | 0 | 110.3 | K171 E184 Q191 N192 | K171-I188 HydrophobicContact CG-CB 4.12Å; K171-I188 HydrophobicContact CG-CG2 3.62Å; E184-I188 HydrophobicContact CG-CD1 4Å; E184-I188 WeakPolarHBondContact O-CD1 3.23Å; E184-I188 VanDerWaalsContact O-CG1 3.27Å; E184-I188 WeakPolarHBondContact O-CG1 3.18Å; E184-I188 PolarHBondContact O-N 3.05Å; I188-Q191 PolarHBondContact O-N 3.24Å; I188-N192 VanDerWaalsContact O-CB 3.3Å; I188-N192 WeakPolarHBondContact O-CB 3.39Å; I188-N192 PolarHBondContact O-N 3.48Å |
| 189 | T | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 179.3 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | F57 I170 K171 L180 N185 F186 E187 Q191 N192 L193 | F57-T189 HydrophobicContact CE2-CG2 3.83Å; I170-T189 HydrophobicContact CB-CG2 4.25Å; I170-T189 HydrophobicContact CG1-CG2 3.92Å; I170-T189 HydrophobicContact CG2-CG2 4.33Å; K171-T189 PolarHBondContact N-OG1 3.03Å; L180-T189 HydrophobicContact CD1-CG2 4.15Å; N185-T189 WeakPolarHBondContact O-CB 3.19Å; N185-T189 PolarHBondContact O-N 3.46Å; N185-T189 PolarHBondContact O-OG1 3.22Å; F186-T189 PolarHBondContact O-N 3.45Å; E187-T189 VanDerWaalsContact C-N 3.34Å; E187-T189 PolarHBondContact O-N 3.16Å; T189-Q191 VanDerWaalsContact C-N 3.28Å; T189-Q191 PolarHBondContact O-N 3.49Å; T189-N192 PolarHBondContact O-N 3.12Å; T189-L193 HydrophobicContact CG2-CD1 3.86Å; T189-L193 HydrophobicContact CG2-CG 4.3Å; T189-L193 WeakPolarHBondContact O-CB 3.38Å; T189-L193 WeakPolarHBondContact O-CG 3.25Å; T189-L193 PolarHBondContact O-N 3.15Å |
| 190 | I | 94.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.1 | -31.5 | -178.7 | -161.5 | 171.5 | 0 | 0 | 0 | 111.5 | F57 L60 F186 E187 N194 | F57-I190 HydrophobicContact CB-CD1 4.47Å; L60-I190 HydrophobicContact CD2-CG1 3.9Å; F186-I190 HydrophobicContact CE1-CD1 4.18Å; F186-I190 WeakPolarHBondContact O-CG2 3.25Å; F186-I190 PolarHBondContact O-N 2.83Å; E187-I190 WeakPolarHBondContact O-CG2 3.35Å; I190-N194 WeakPolarHBondContact O-CB 3.21Å; I190-N194 PolarHBondContact O-N 3.01Å; I190-N194 VanDerWaalsContact O-N 3.14Å; I190-N194 PolarHBondContact O-ND2 2.89Å |
| 191 | Q | 92.7 | Very high | 91.3 | Very high | 117 Ų | 117 | 54.9 Ų | 54.9 | 55% | 0.547 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -48.9 | 171.5 | -172.3 | 177.9 | 21.8 | 0 | 0 | 111.8 | E187 I188 T189 L193 N194 N195 | E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.31Å; E187-Q191 PolarHBondContact O-N 3.01Å; E187-Q191 VanDerWaalsContact O-N 3.07Å; I188-Q191 PolarHBondContact O-N 3.24Å; T189-Q191 VanDerWaalsContact C-N 3.28Å; T189-Q191 PolarHBondContact O-N 3.49Å; Q191-L193 PolarHBondContact O-N 3.06Å; Q191-N194 PolarHBondContact O-N 2.65Å; Q191-N195 WeakPolarHBondContact O-CB 3.43Å; Q191-N195 PolarHBondContact O-N 3.16Å; Q191-N195 PolarHBondContact O-ND2 3Å |
| 192 | N | 95.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 22% | 0.219 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | -179.4 | -76.1 | -7.8 | 0 | 0 | 0 | 112.3 | D168 L169 I188 T189 N196 | D168-N192 PolarHBondContact O-ND2 3.26Å; L169-N192 HydrophobicContact CD2-CB 4.06Å; I188-N192 VanDerWaalsContact O-CB 3.3Å; I188-N192 WeakPolarHBondContact O-CB 3.39Å; I188-N192 PolarHBondContact O-N 3.48Å; T189-N192 PolarHBondContact O-N 3.12Å; N192-N196 WeakPolarHBondContact O-CB 3.33Å; N192-N196 PolarHBondContact O-N 3.1Å |
| 193 | L | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.5 | -67.2 | 177 | 0 | 0 | 0 | 112.2 | F57 L60 K64 L164 L169 I170 T189 Q191 Y197 | F57-L193 HydrophobicContact CD2-CD1 4.36Å; F57-L193 HydrophobicContact CE2-CD1 3.77Å; L60-L193 HydrophobicContact CD2-CB 3.68Å; L60-L193 HydrophobicContact CG-CB 3.97Å; K64-L193 HydrophobicContact CG-CD2 4.24Å; L164-L193 HydrophobicContact CD1-CD2 4.17Å; L169-L193 HydrophobicContact CB-CD2 4.41Å; I170-L193 HydrophobicContact CG1-CD1 4.48Å; I170-L193 HydrophobicContact CG1-CD2 4.47Å; T189-L193 HydrophobicContact CG2-CD1 3.86Å; T189-L193 HydrophobicContact CG2-CG 4.3Å; T189-L193 WeakPolarHBondContact O-CB 3.38Å; T189-L193 WeakPolarHBondContact O-CG 3.25Å; T189-L193 PolarHBondContact O-N 3.15Å; Q191-L193 PolarHBondContact O-N 3.06Å; L193-Y197 VanDerWaalsContact O-CB 3.31Å; L193-Y197 WeakPolarHBondContact O-CB 3.42Å; L193-Y197 PolarHBondContact O-N 2.86Å |
| 194 | N | 92.8 | Very high | 89.9 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -52.7 | 175.2 | -91.4 | -63.7 | 0 | 0 | 0 | 111.5 | L60 I190 Q191 N196 Y197 E198 | L60-N194 HydrophobicContact CD2-CB 4.41Å; L60-N194 VanDerWaalsContact CD2-ND2 3.33Å; L60-N194 WeakPolarHBondContact CD2-ND2 3.26Å; I190-N194 WeakPolarHBondContact O-CB 3.21Å; I190-N194 PolarHBondContact O-N 3.01Å; I190-N194 VanDerWaalsContact O-N 3.14Å; I190-N194 PolarHBondContact O-ND2 2.89Å; Q191-N194 PolarHBondContact O-N 2.65Å; N194-N196 VanDerWaalsContact C-N 3.29Å; N194-N196 PolarHBondContact O-N 2.82Å; N194-Y197 PolarHBondContact O-N 3.48Å; N194-Y197 VanDerWaalsContact O-N 3.11Å; N194-E198 WeakPolarHBondContact O-CB 3.25Å; N194-E198 PolarHBondContact O-N 3.42Å |
| 195 | N | 91.6 | Very high | 89.4 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | -179.3 | -68.2 | -14.1 | 0 | 0 | 0 | 111.5 | Q191 E198 E199 | Q191-N195 WeakPolarHBondContact O-CB 3.43Å; Q191-N195 PolarHBondContact O-N 3.16Å; Q191-N195 PolarHBondContact O-ND2 3Å; N195-E198 PolarHBondContact O-N 3.33Å; N195-E199 PolarHBondContact O-N 3.41Å |
| 196 | N | 91.5 | Very high | 88.7 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -82.2 | -11.9 | -178.7 | -166.7 | -115.4 | 0 | 0 | 0 | 113.8 | K64 L169 N192 N194 E199 | K64-N196 WeakPolarHBondContact CE-OD1 3.31Å; K64-N196 PolarHBondContact NZ-O 3.35Å; K64-N196 PolarHBondContact NZ-OD1 3.43Å; L169-N196 HydrophobicContact CD2-CB 4.28Å; N192-N196 WeakPolarHBondContact O-CB 3.33Å; N192-N196 PolarHBondContact O-N 3.1Å; N194-N196 VanDerWaalsContact C-N 3.29Å; N194-N196 PolarHBondContact O-N 2.82Å; N196-E199 PolarHBondContact ND2-OE2 2.92Å |
| 197 | Y | 92.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -84 | -36.6 | 165 | -174.2 | -99.3 | 0 | 0 | 0 | 111.3 | I63 K64 A67 L193 N194 Y200 I201 E209 R210 | I63-Y197 HydrophobicContact CB-CE2 3.84Å; I63-Y197 HydrophobicContact CD1-CD1 4.11Å; I63-Y197 HydrophobicContact CD1-CD2 4.46Å; I63-Y197 HydrophobicContact CD1-CE1 3.68Å; I63-Y197 HydrophobicContact CD1-CE2 4.07Å; I63-Y197 HydrophobicContact CD1-CG 4.47Å; I63-Y197 HydrophobicContact CG1-CD2 4.03Å; I63-Y197 HydrophobicContact CG1-CE1 4.22Å; I63-Y197 HydrophobicContact CG1-CE2 3.66Å; I63-Y197 HydrophobicContact CG1-CG 4.44Å; K64-Y197 HydrophobicContact CB-CD2 4.41Å; K64-Y197 HydrophobicContact CD-CD2 4.22Å; A67-Y197 HydrophobicContact CB-CD2 4.38Å; A67-Y197 HydrophobicContact CB-CE2 4.1Å; L193-Y197 VanDerWaalsContact O-CB 3.31Å; L193-Y197 WeakPolarHBondContact O-CB 3.42Å; L193-Y197 PolarHBondContact O-N 2.86Å; N194-Y197 PolarHBondContact O-N 3.48Å; N194-Y197 VanDerWaalsContact O-N 3.11Å; Y197-Y200 HydrophobicContact CE2-CD1 4.4Å; Y197-Y200 WeakPolarHBondContact O-CA 3.3Å; Y197-Y200 WeakPolarHBondContact O-CB 3.26Å; Y197-Y200 PolarHBondContact O-N 3.26Å; Y197-Y200 VanDerWaalsContact O-N 3.13Å; Y197-I201 HydrophobicContact CD1-CG1 3.91Å; Y197-I201 HydrophobicContact CE1-CD1 3.95Å; Y197-I201 HydrophobicContact CE1-CG1 3.48Å; Y197-I201 VanDerWaalsContact CE1-CG1 3.48Å; Y197-I201 PolarHBondContact O-N 2.66Å; Y197-E209 WeakPolarHBondContact OH-CB 3.45Å; Y197-E209 PolarHBondContact OH-N 3.33Å; Y197-R210 HydrophobicContact CD1-CG 3.99Å; Y197-R210 HydrophobicContact CE1-CG 3.91Å |
| 198 | E | 89.9 | Confident | 87.9 | Confident | 85 Ų | 85 | 53.8 Ų | 53.8 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.5 | -170.9 | 159.3 | 147.1 | 0 | 0 | 112.2 | N194 N195 Y200 I201 I202 R210 | N194-E198 WeakPolarHBondContact O-CB 3.25Å; N194-E198 PolarHBondContact O-N 3.42Å; N195-E198 PolarHBondContact O-N 3.33Å; E198-Y200 VanDerWaalsContact C-N 3.26Å; E198-Y200 PolarHBondContact O-N 3.49Å; E198-I201 PolarHBondContact O-N 2.95Å; E198-I202 HydrophobicContact CG-CD1 3.77Å; E198-I202 HydrophobicContact CG-CG1 4.4Å; E198-I202 WeakPolarHBondContact O-CB 3.2Å; E198-I202 VanDerWaalsContact O-CG1 3.27Å; E198-I202 WeakPolarHBondContact O-CG1 3.34Å; E198-I202 PolarHBondContact O-N 2.84Å; E198-R210 IonicContact OE2-CZ 3.18Å; E198-R210 IonicContact OE2-NH1 2.83Å; E198-R210 PolarHBondContact OE2-NH1 3.42Å; E198-R210 IonicContact OE2-NH2 2.95Å; E198-R210 PolarHBondContact OE2-NH2 3.07Å |
| 199 | E | 85.3 | Confident | 87.8 | Confident | 132 Ų | 132 | 51.7 Ų | 51.7 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.8 | -39.6 | 170.4 | -174.1 | -176.5 | -170.6 | 0 | 0 | 112.2 | N195 N196 G203 | N195-E199 PolarHBondContact O-N 3.41Å; N196-E199 PolarHBondContact ND2-OE2 2.92Å; E199-G203 PolarHBondContact O-N 3.39Å |
| 200 | Y | 86.9 | Confident | 87.6 | Confident | 55 Ų | 55 | 54 Ų | 54 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -51.5 | 175.1 | 168.9 | -86.3 | 0 | 0 | 0 | 111.3 | A67 Y197 E198 I202 G203 T204 D206 | A67-Y200 HydrophobicContact CB-CD1 3.86Å; A67-Y200 HydrophobicContact CB-CD2 3.99Å; A67-Y200 HydrophobicContact CB-CE1 3.76Å; A67-Y200 HydrophobicContact CB-CE2 3.83Å; A67-Y200 HydrophobicContact CB-CG 4.02Å; Y197-Y200 HydrophobicContact CE2-CD1 4.4Å; Y197-Y200 WeakPolarHBondContact O-CA 3.3Å; Y197-Y200 WeakPolarHBondContact O-CB 3.26Å; Y197-Y200 PolarHBondContact O-N 3.26Å; Y197-Y200 VanDerWaalsContact O-N 3.13Å; E198-Y200 VanDerWaalsContact C-N 3.26Å; E198-Y200 PolarHBondContact O-N 3.49Å; Y200-I202 PolarHBondContact O-N 2.83Å; Y200-G203 PolarHBondContact O-N 3.44Å; Y200-G203 VanDerWaalsContact O-N 3.11Å; Y200-T204 HydrophobicContact CD2-CG2 4.08Å; Y200-T204 HydrophobicContact CE1-CG2 4.25Å; Y200-T204 HydrophobicContact CE2-CG2 3.69Å; Y200-T204 PolarHBondContact O-N 3.21Å; Y200-T204 PolarHBondContact O-OG1 2.95Å; Y200-T204 VanDerWaalsContact O-OG1 3.14Å; Y200-D206 WeakPolarHBondContact CE1-OD2 3.21Å; Y200-D206 PolarHBondContact OH-OD2 2.95Å |
| 201 | I | 86.9 | Confident | 87.1 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | -179 | -70 | -61.6 | 0 | 0 | 0 | 111.7 | Y197 E198 G203 G205 D206 F207 D208 | Y197-I201 HydrophobicContact CD1-CG1 3.91Å; Y197-I201 HydrophobicContact CE1-CD1 3.95Å; Y197-I201 HydrophobicContact CE1-CG1 3.48Å; Y197-I201 VanDerWaalsContact CE1-CG1 3.48Å; Y197-I201 PolarHBondContact O-N 2.66Å; E198-I201 PolarHBondContact O-N 2.95Å; I201-G203 VanDerWaalsContact C-N 3.33Å; I201-G205 WeakPolarHBondContact O-CA 3.11Å; I201-G205 PolarHBondContact O-N 3.16Å; I201-D206 HydrophobicContact CD1-CB 4.22Å; I201-F207 WeakPolarHBondContact CD1-O 3.48Å; I201-D208 HydrophobicContact CG1-CB 4.48Å; I201-D208 HydrophobicContact CG2-CB 4.09Å |
| 202 | I | 78.4 | Confident | 86.6 | Confident | 129 Ų | 129 | 49 Ų | 49 | 66% | 0.662 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67 | -36.5 | 175.5 | -66.7 | 169.9 | 0 | 0 | 0 | 111 | E198 Y200 | E198-I202 HydrophobicContact CG-CD1 3.77Å; E198-I202 HydrophobicContact CG-CG1 4.4Å; E198-I202 WeakPolarHBondContact O-CB 3.2Å; E198-I202 VanDerWaalsContact O-CG1 3.27Å; E198-I202 WeakPolarHBondContact O-CG1 3.34Å; E198-I202 PolarHBondContact O-N 2.84Å; Y200-I202 PolarHBondContact O-N 2.83Å |
| 203 | G | 78.8 | Confident | 86.1 | Confident | 67 Ų | 67 | 49 Ų | 49 | 69% | 0.691 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -73.3 | -34.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E199 Y200 I201 | E199-G203 PolarHBondContact O-N 3.39Å; Y200-G203 PolarHBondContact O-N 3.44Å; Y200-G203 VanDerWaalsContact O-N 3.11Å; I201-G203 VanDerWaalsContact C-N 3.33Å |
| 204 | T | 80.2 | Confident | 85 | Confident | 52 Ų | 52 | 50 Ų | 50 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -95.6 | -33.5 | -179.9 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | R11 Y200 D206 | R11-T204 PolarHBondContact NH2-O 3.3Å; Y200-T204 HydrophobicContact CD2-CG2 4.08Å; Y200-T204 HydrophobicContact CE1-CG2 4.25Å; Y200-T204 HydrophobicContact CE2-CG2 3.69Å; Y200-T204 PolarHBondContact O-N 3.21Å; Y200-T204 PolarHBondContact O-OG1 2.95Å; Y200-T204 VanDerWaalsContact O-OG1 3.14Å; T204-D206 VanDerWaalsContact C-N 3.3Å; T204-D206 VanDerWaalsContact CB-OD2 3.3Å; T204-D206 WeakPolarHBondContact CB-OD2 3.4Å; T204-D206 WeakPolarHBondContact OG1-CB 3.19Å; T204-D206 PolarHBondContact OG1-N 2.84Å; T204-D206 PolarHBondContact OG1-OD2 2.84Å |
| 205 | G | 76.3 | Confident | 83.2 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | trans | 70 | 24.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I201 | I201-G205 WeakPolarHBondContact O-CA 3.11Å; I201-G205 PolarHBondContact O-N 3.16Å | ||
| 206 | D | 79.4 | Confident | 81.3 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 10% | 0.096 | 28% | 0.28 | C | S | . | . | trans | -71.5 | 170.8 | 171.9 | -66.1 | -33.5 | 0 | 0 | 0 | 112 | R11 Y200 I201 T204 | R11-D206 IonicContact CZ-OD1 2.7Å; R11-D206 IonicContact NH1-OD1 3.31Å; R11-D206 PolarHBondContact NH1-OD1 3.38Å; R11-D206 IonicContact NH2-OD1 3.42Å; R11-D206 PolarHBondContact NH2-OD1 3.34Å; Y200-D206 WeakPolarHBondContact CE1-OD2 3.21Å; Y200-D206 PolarHBondContact OH-OD2 2.95Å; I201-D206 HydrophobicContact CD1-CB 4.22Å; T204-D206 VanDerWaalsContact C-N 3.3Å; T204-D206 VanDerWaalsContact CB-OD2 3.3Å; T204-D206 WeakPolarHBondContact CB-OD2 3.4Å; T204-D206 WeakPolarHBondContact OG1-CB 3.19Å; T204-D206 PolarHBondContact OG1-N 2.84Å; T204-D206 PolarHBondContact OG1-OD2 2.84Å | ||
| 207 | F | 81.4 | Confident | 80 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 18% | 0.18 | 27% | 0.274 | C | S | . | . | trans | -64.9 | 128.6 | 172.3 | 169.5 | -107.1 | 0 | 0 | 0 | 111.7 | I15 F19 I201 E209 I211 Y212 | I15-F207 HydrophobicContact CG2-CB 4.39Å; F19-F207 HydrophobicContact CD2-CD1 4.22Å; F19-F207 HydrophobicContact CD2-CD2 4.18Å; F19-F207 AromaticContact CD2-CE1 3.71Å; F19-F207 HydrophobicContact CD2-CE1 3.71Å; F19-F207 AromaticContact CD2-CE2 3.66Å; F19-F207 HydrophobicContact CD2-CE2 3.66Å; F19-F207 HydrophobicContact CD2-CG 4.43Å; F19-F207 AromaticContact CD2-CZ 3.4Å; F19-F207 HydrophobicContact CD2-CZ 3.4Å; F19-F207 VanDerWaalsContact CD2-CZ 3.4Å; F19-F207 HydrophobicContact CE2-CE1 4.36Å; F19-F207 HydrophobicContact CE2-CE2 4.02Å; F19-F207 AromaticContact CE2-CZ 3.71Å; F19-F207 HydrophobicContact CE2-CZ 3.71Å; I201-F207 WeakPolarHBondContact CD1-O 3.48Å; F207-E209 HydrophobicContact CD1-CG 3.66Å; F207-E209 HydrophobicContact CE1-CG 3.86Å; F207-E209 PolarHBondContact O-N 2.86Å; F207-I211 HydrophobicContact CE1-CG2 4.23Å; F207-I211 HydrophobicContact CE2-CG2 3.78Å; F207-I211 HydrophobicContact CZ-CG2 3.34Å; F207-Y212 AromaticContact CE1-CE2 3.67Å; F207-Y212 HydrophobicContact CE1-CE2 3.67Å; F207-Y212 AromaticContact CE1-CZ 3.85Å; F207-Y212 HydrophobicContact CZ-CE2 4.07Å; F207-Y212 AromaticContact CZ-CZ 3.96Å | ||
| 208 | D | 87.9 | Confident | 78 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | trans | -80.6 | 99.4 | 179.6 | -167.6 | -19.1 | 0 | 0 | 0 | 111.5 | I201 R210 I211 | I201-D208 HydrophobicContact CG1-CB 4.48Å; I201-D208 HydrophobicContact CG2-CB 4.09Å; D208-R210 PolarHBondContact O-N 3.35Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.36Å; D208-R210 VanDerWaalsContact OD1-CG 3.27Å; D208-R210 WeakPolarHBondContact OD1-CG 2.93Å; D208-R210 IonicContact OD1-CZ 2.76Å; D208-R210 PolarHBondContact OD1-N 3.32Å; D208-R210 IonicContact OD1-NE 3.87Å; D208-R210 PolarHBondContact OD1-NE 2.55Å; D208-R210 IonicContact OD1-NH2 2.67Å; D208-R210 IonicContact OD2-CZ 2.7Å; D208-R210 IonicContact OD2-NE 3.94Å; D208-R210 PolarHBondContact OD2-NE 2.78Å; D208-R210 VanDerWaalsContact OD2-NE 3.15Å; D208-R210 IonicContact OD2-NH2 3.57Å; D208-R210 PolarHBondContact OD2-NH2 2.92Å; D208-I211 WeakPolarHBondContact O-CB 3.14Å; D208-I211 WeakPolarHBondContact O-CG2 3.46Å; D208-I211 PolarHBondContact O-N 3Å; D208-I211 VanDerWaalsContact O-N 3.09Å | ||
| 209 | E | 91 | Very high | 76.1 | Confident | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -70.7 | -4.6 | -176.2 | -61.1 | 172.6 | 165 | 0 | 0 | 113.2 | S22 W59 I63 R66 Y197 F207 I211 Y212 | S22-E209 PolarHBondContact OG-OE1 2.65Å; W59-E209 PolarHBondContact NE1-O 3.38Å; I63-E209 HydrophobicContact CB-CB 4.32Å; I63-E209 HydrophobicContact CD1-CB 4.36Å; I63-E209 HydrophobicContact CG2-CB 3.74Å; I63-E209 WeakPolarHBondContact CG2-OE2 3.3Å; R66-E209 IonicContact CZ-OE1 3.9Å; R66-E209 IonicContact NH1-OE1 3.66Å; R66-E209 PolarHBondContact NH1-OE1 3.28Å; R66-E209 IonicContact NH1-OE2 2.97Å; R66-E209 PolarHBondContact NH1-OE2 2.7Å; R66-E209 IonicContact NH2-OE1 3.96Å; Y197-E209 WeakPolarHBondContact OH-CB 3.45Å; Y197-E209 PolarHBondContact OH-N 3.33Å; F207-E209 HydrophobicContact CD1-CG 3.66Å; F207-E209 HydrophobicContact CE1-CG 3.86Å; F207-E209 PolarHBondContact O-N 2.86Å; E209-I211 PolarHBondContact O-N 3.38Å; E209-Y212 HydrophobicContact CB-CE2 4.49Å; E209-Y212 WeakPolarHBondContact O-CD2 3.45Å |
| 210 | R | 89.9 | Confident | 74.6 | Confident | 49 Ų | 49 | 51 Ų | 51 | 19% | 0.185 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -67.6 | -19.1 | 168.2 | -59.9 | 177 | -67 | 174.6 | 2.3 | 112.1 | I63 Y197 E198 D208 Y212 L213 | I63-R210 HydrophobicContact CD1-CG 3.65Å; Y197-R210 HydrophobicContact CD1-CG 3.99Å; Y197-R210 HydrophobicContact CE1-CG 3.91Å; E198-R210 IonicContact OE2-CZ 3.18Å; E198-R210 IonicContact OE2-NH1 2.83Å; E198-R210 PolarHBondContact OE2-NH1 3.42Å; E198-R210 IonicContact OE2-NH2 2.95Å; E198-R210 PolarHBondContact OE2-NH2 3.07Å; D208-R210 PolarHBondContact O-N 3.35Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.36Å; D208-R210 VanDerWaalsContact OD1-CG 3.27Å; D208-R210 WeakPolarHBondContact OD1-CG 2.93Å; D208-R210 IonicContact OD1-CZ 2.76Å; D208-R210 PolarHBondContact OD1-N 3.32Å; D208-R210 IonicContact OD1-NE 3.87Å; D208-R210 PolarHBondContact OD1-NE 2.55Å; D208-R210 IonicContact OD1-NH2 2.67Å; D208-R210 IonicContact OD2-CZ 2.7Å; D208-R210 IonicContact OD2-NE 3.94Å; D208-R210 PolarHBondContact OD2-NE 2.78Å; D208-R210 VanDerWaalsContact OD2-NE 3.15Å; D208-R210 IonicContact OD2-NH2 3.57Å; D208-R210 PolarHBondContact OD2-NH2 2.92Å; R210-Y212 PolarHBondContact O-N 2.82Å; R210-Y212 VanDerWaalsContact O-N 3.15Å; R210-L213 WeakPolarHBondContact O-CB 3.37Å; R210-L213 PolarHBondContact O-N 2.84Å |
| 211 | I | 84.5 | Confident | 73.3 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -55.9 | -31.1 | 178 | -165.1 | 171.8 | 0 | 0 | 0 | 112.9 | F207 D208 E209 L213 S214 A217 E220 I221 | F207-I211 HydrophobicContact CE1-CG2 4.23Å; F207-I211 HydrophobicContact CE2-CG2 3.78Å; F207-I211 HydrophobicContact CZ-CG2 3.34Å; D208-I211 WeakPolarHBondContact O-CB 3.14Å; D208-I211 WeakPolarHBondContact O-CG2 3.46Å; D208-I211 PolarHBondContact O-N 3Å; D208-I211 VanDerWaalsContact O-N 3.09Å; E209-I211 PolarHBondContact O-N 3.38Å; I211-L213 PolarHBondContact O-N 2.63Å; I211-S214 WeakPolarHBondContact O-CB 3.42Å; I211-S214 PolarHBondContact O-N 3.09Å; I211-A217 WeakPolarHBondContact O-CB 3.48Å; I211-E220 HydrophobicContact CD1-CB 3.96Å; I211-E220 HydrophobicContact CG1-CB 4.24Å; I211-I221 HydrophobicContact CD1-CG1 3.8Å; I211-I221 HydrophobicContact CG1-CD1 4.48Å; I211-I221 HydrophobicContact CG1-CG1 4.08Å; I211-I221 HydrophobicContact CG2-CD1 4.2Å; I211-I221 HydrophobicContact CG2-CG1 4.29Å |
| 212 | Y | 82.8 | Confident | 71.3 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -66.1 | -19.1 | 176.1 | -60.4 | -66.5 | 0 | 0 | 0 | 113.9 | F19 S23 F26 W59 F207 E209 R210 S214 I221 | F19-Y212 PolarHBondContact O-OH 3.21Å; S23-Y212 WeakPolarHBondContact CA-OH 3.44Å; S23-Y212 PolarHBondContact N-OH 3.03Å; S23-Y212 VanDerWaalsContact N-OH 3.17Å; S23-Y212 PolarHBondContact OG-OH 3.17Å; F26-Y212 HydrophobicContact CB-CD1 4.45Å; F26-Y212 HydrophobicContact CB-CD2 4.27Å; F26-Y212 HydrophobicContact CB-CG 4.19Å; F26-Y212 HydrophobicContact CD1-CD1 4.08Å; F26-Y212 HydrophobicContact CD1-CG 4.02Å; F26-Y212 HydrophobicContact CD2-CD2 4.47Å; F26-Y212 HydrophobicContact CD2-CG 4.17Å; F26-Y212 HydrophobicContact CE1-CG 4.48Å; F26-Y212 HydrophobicContact CG-CD1 4.25Å; F26-Y212 HydrophobicContact CG-CD2 4.29Å; F26-Y212 AromaticContact CG-CG 3.84Å; F26-Y212 HydrophobicContact CG-CG 3.84Å; F26-Y212 VanDerWaalsContact CZ-O 3.25Å; F26-Y212 WeakPolarHBondContact CZ-O 3.28Å; W59-Y212 AromaticContact CZ2-CD2 3.83Å; W59-Y212 HydrophobicContact CZ2-CD2 3.83Å; W59-Y212 HydrophobicContact CZ2-CE2 4.37Å; F207-Y212 AromaticContact CE1-CE2 3.67Å; F207-Y212 HydrophobicContact CE1-CE2 3.67Å; F207-Y212 AromaticContact CE1-CZ 3.85Å; F207-Y212 HydrophobicContact CZ-CE2 4.07Å; F207-Y212 AromaticContact CZ-CZ 3.96Å; E209-Y212 HydrophobicContact CB-CE2 4.49Å; E209-Y212 WeakPolarHBondContact O-CD2 3.45Å; R210-Y212 PolarHBondContact O-N 2.82Å; R210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-S214 VanDerWaalsContact C-N 3.35Å; Y212-I221 HydrophobicContact CD1-CD1 3.66Å; Y212-I221 HydrophobicContact CE1-CD1 3.73Å |
| 213 | L | 83.6 | Confident | 69.7 | Low | 40 Ų | 40 | 49.2 Ų | 49.2 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -85.3 | -7.5 | 173 | -57.6 | 179.6 | 0 | 0 | 0 | 112.8 | F26 F55 R56 W59 R210 I211 | F26-L213 HydrophobicContact CE2-CD2 4.14Å; F55-L213 HydrophobicContact CD1-CD2 4Å; F55-L213 HydrophobicContact CE1-CD2 3.76Å; R56-L213 HydrophobicContact CB-CD1 4.27Å; R56-L213 HydrophobicContact CG-CD1 4.34Å; W59-L213 HydrophobicContact CB-CD1 4.37Å; W59-L213 HydrophobicContact CB-CD2 3.98Å; W59-L213 HydrophobicContact CG-CD1 4.46Å; W59-L213 HydrophobicContact CG-CD2 4.05Å; W59-L213 HydrophobicContact CG-CG 4.34Å; R210-L213 WeakPolarHBondContact O-CB 3.37Å; R210-L213 PolarHBondContact O-N 2.84Å; I211-L213 PolarHBondContact O-N 2.63Å |
| 214 | S | 72.3 | Confident | 67.4 | Low | 21 Ų | 21 | 53.5 Ų | 53.5 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -66.5 | 138.4 | -178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | I211 Y212 N216 A217 E220 | I211-S214 WeakPolarHBondContact O-CB 3.42Å; I211-S214 PolarHBondContact O-N 3.09Å; Y212-S214 VanDerWaalsContact C-N 3.35Å; S214-N216 PolarHBondContact O-N 2.61Å; S214-N216 VanDerWaalsContact O-N 3.13Å; S214-N216 PolarHBondContact OG-N 3.11Å; S214-N216 VanDerWaalsContact OG-N 3.07Å; S214-A217 WeakPolarHBondContact O-CB 3.4Å; S214-A217 PolarHBondContact O-N 3.07Å; S214-A217 VanDerWaalsContact O-N 3.11Å; S214-E220 WeakPolarHBondContact CB-OE2 3.44Å; S214-E220 PolarHBondContact OG-OE2 3.23Å |
| 215 | P | 54.8 | Low | 65.6 | Low | 60 Ų | 60 | 52.5 Ų | 52.5 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.6 | 166.9 | 26.6 | -34.7 | 0 | 0 | 0 | 112.8 | T240 S242 | P215-T240 HydrophobicContact CB-CG2 3.85Å; P215-S242 WeakPolarHBondContact O-CB 3.32Å; P215-S242 PolarHBondContact O-OG 3.14Å |
| 216 | N | 53.3 | Low | 63.4 | Low | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 19.6 | 179.5 | -64.8 | 1.6 | 0 | 0 | 0 | 111.4 | S214 S218 E219 E220 | S214-N216 PolarHBondContact O-N 2.61Å; S214-N216 VanDerWaalsContact O-N 3.13Å; S214-N216 PolarHBondContact OG-N 3.11Å; S214-N216 VanDerWaalsContact OG-N 3.07Å; N216-S218 PolarHBondContact O-N 3.09Å; N216-S218 VanDerWaalsContact O-N 3.08Å; N216-E219 HydrophobicContact CB-CB 4.47Å; N216-E219 WeakPolarHBondContact O-CA 3.49Å; N216-E219 PolarHBondContact O-N 3.13Å; N216-E220 HydrophobicContact CB-CG 3.97Å; N216-E220 WeakPolarHBondContact O-CB 3.4Å; N216-E220 WeakPolarHBondContact O-CG 3.15Å; N216-E220 PolarHBondContact O-N 2.86Å |
| 217 | A | 62.8 | Low | 61.2 | Low | 14 Ų | 14 | 56 Ų | 56 | 12% | 0.116 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -49.1 | -41.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I211 S214 I221 | I211-A217 WeakPolarHBondContact O-CB 3.48Å; S214-A217 WeakPolarHBondContact O-CB 3.4Å; S214-A217 PolarHBondContact O-N 3.07Å; S214-A217 VanDerWaalsContact O-N 3.11Å; A217-I221 HydrophobicContact CB-CD1 4.19Å; A217-I221 WeakPolarHBondContact O-CB 3.46Å; A217-I221 VanDerWaalsContact O-CD1 3.28Å; A217-I221 WeakPolarHBondContact O-CD1 3.46Å; A217-I221 WeakPolarHBondContact O-CG1 3.36Å; A217-I221 PolarHBondContact O-N 3.13Å |
| 218 | S | 52 | Low | 58.8 | Low | 34 Ų | 34 | 60.6 Ų | 60.6 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 174.5 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | N216 G222 S223 | N216-S218 PolarHBondContact O-N 3.09Å; N216-S218 VanDerWaalsContact O-N 3.08Å; S218-G222 CarbonylContact O-C 3.6Å; S218-G222 PolarHBondContact O-N 2.97Å; S218-S223 CarbonylContact O-C 3.46Å; S218-S223 WeakPolarHBondContact O-CA 3.47Å; S218-S223 PolarHBondContact O-N 2.85Å |
| 219 | E | 50.5 | Low | 56.1 | Low | 137 Ų | 137 | 62.3 Ų | 62.3 | 64% | 0.64 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68 | -43.2 | 177.9 | -59.4 | -173.8 | 166.6 | 0 | 0 | 112.4 | N216 G222 | N216-E219 HydrophobicContact CB-CB 4.47Å; N216-E219 WeakPolarHBondContact O-CA 3.49Å; N216-E219 PolarHBondContact O-N 3.13Å; E219-G222 PolarHBondContact O-N 3.18Å; E219-G222 VanDerWaalsContact O-N 3.14Å |
| 220 | E | 52.6 | Low | 53.1 | Low | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.8 | -30.7 | -175.7 | -66.6 | 173.4 | 165.9 | 0 | 0 | 112.4 | I211 S214 N216 | I211-E220 HydrophobicContact CD1-CB 3.96Å; I211-E220 HydrophobicContact CG1-CB 4.24Å; S214-E220 WeakPolarHBondContact CB-OE2 3.44Å; S214-E220 PolarHBondContact OG-OE2 3.23Å; N216-E220 HydrophobicContact CB-CG 3.97Å; N216-E220 WeakPolarHBondContact O-CB 3.4Å; N216-E220 WeakPolarHBondContact O-CG 3.15Å; N216-E220 PolarHBondContact O-N 2.86Å |
| 221 | I | 60.2 | Low | 50.5 | Low | 47 Ų | 47 | 70.1 Ų | 70.1 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -85.9 | -14.3 | 171.6 | -59.6 | 165.5 | 0 | 0 | 0 | 111.3 | F19 I211 Y212 A217 | F19-I221 HydrophobicContact CE2-CG2 3.83Å; F19-I221 HydrophobicContact CZ-CG2 3.58Å; I211-I221 HydrophobicContact CD1-CG1 3.8Å; I211-I221 HydrophobicContact CG1-CD1 4.48Å; I211-I221 HydrophobicContact CG1-CG1 4.08Å; I211-I221 HydrophobicContact CG2-CD1 4.2Å; I211-I221 HydrophobicContact CG2-CG1 4.29Å; Y212-I221 HydrophobicContact CD1-CD1 3.66Å; Y212-I221 HydrophobicContact CE1-CD1 3.73Å; A217-I221 HydrophobicContact CB-CD1 4.19Å; A217-I221 WeakPolarHBondContact O-CB 3.46Å; A217-I221 VanDerWaalsContact O-CD1 3.28Å; A217-I221 WeakPolarHBondContact O-CD1 3.46Å; A217-I221 WeakPolarHBondContact O-CG1 3.36Å; A217-I221 PolarHBondContact O-N 3.13Å |
| 222 | G | 44.1 | Very low | 48.1 | Very low | 54 Ų | 54 | 76.4 Ų | 76.4 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | 15.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S218 E219 I224 | S218-G222 CarbonylContact O-C 3.6Å; S218-G222 PolarHBondContact O-N 2.97Å; E219-G222 PolarHBondContact O-N 3.18Å; E219-G222 VanDerWaalsContact O-N 3.14Å; G222-I224 PolarHBondContact O-N 3.33Å; G222-I224 VanDerWaalsContact O-N 3.15Å |
| 223 | S | 44.9 | Very low | 45.7 | Very low | 65 Ų | 65 | 82.3 Ų | 82.3 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | trans | -82.2 | 69.6 | 175 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | S218 G225 | S218-S223 CarbonylContact O-C 3.46Å; S218-S223 WeakPolarHBondContact O-CA 3.47Å; S218-S223 PolarHBondContact O-N 2.85Å; S223-G225 PolarHBondContact O-N 3.24Å | ||
| 224 | I | 31.7 | Very low | 43.8 | Very low | 157 Ų | 157 | 87.7 Ų | 87.7 | 81% | 0.805 | 48% | 0.484 | S | S | * | . | trans | -75.3 | 118.5 | 178.7 | -60.4 | 172.6 | 0 | 0 | 0 | 111.1 | G222 | G222-I224 PolarHBondContact O-N 3.33Å; G222-I224 VanDerWaalsContact O-N 3.15Å | ||
| 225 | G | 41 | Very low | 42.5 | Very low | 31 Ų | 31 | 87.1 Ų | 87.1 | 32% | 0.32 | 48% | 0.479 | S | S | . | . | trans | -170.7 | 143.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S223 | S223-G225 PolarHBondContact O-N 3.24Š| ||
| 226 | E | 30 | Very low | 41.8 | Very low | 120 Ų | 120 | 84.5 Ų | 84.5 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | trans | -95.7 | -81.1 | 177.2 | -86.5 | -131.9 | 69.3 | 0 | 0 | 111.7 | R245 E285 | E226-R245 VanDerWaalsContact CA-NH2 3.27Å; E226-R245 PolarHBondContact O-NE 2.86Å; E226-R245 PolarHBondContact O-NH2 3.18Å; E226-R245 IonicContact OE1-CZ 3.39Å; E226-R245 IonicContact OE1-NH1 2.71Å; E226-R245 IonicContact OE1-NH2 3.34Å; E226-R245 PolarHBondContact OE1-NH2 3.12Å; E226-E285 WeakPolarHBondContact CA-OE2 3.28Å; E226-E285 HydrophobicContact CB-CG 4.19Å; E226-E285 PolarHBondContact N-OE2 3.27Å | ||
| 227 | S | 34.9 | Very low | 41.5 | Very low | 20 Ų | 20 | 84.7 Ų | 84.7 | 14% | 0.14 | 47% | 0.466 | C | S | . | . | trans | 55.8 | 150 | -162.9 | 90.7 | 0 | 0 | 0 | 0 | 115.5 | R245 E249 E285 | S227-R245 PolarHBondContact O-NH2 3.23Å; S227-E249 PolarHBondContact OG-OE1 3.1Å; S227-E285 VanDerWaalsContact CA-OE1 3.28Å; S227-E285 WeakPolarHBondContact CA-OE1 3.28Å; S227-E285 VanDerWaalsContact N-CD 3.26Å; S227-E285 PolarHBondContact N-OE1 3.31Å; S227-E285 PolarHBondContact N-OE2 3.01Å | ||
| 228 | T | 30.5 | Very low | 40.4 | Very low | 138 Ų | 138 | 86 Ų | 86 | 85% | 0.847 | 48% | 0.481 | S | S | * | . | trans | -133.7 | 93 | 169 | 31.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 229 | V | 30.6 | Very low | 39.8 | Very low | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | trans | -131.8 | 120.4 | 180 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 230 | Q | 27.6 | Very low | 39.6 | Very low | 193 Ų | 193 | 80.2 Ų | 80.2 | 90% | 0.902 | 45% | 0.453 | S | S | * | . | trans | -84.5 | 137.6 | 171.2 | -68.3 | 171.2 | -30.6 | 0 | 0 | 109.2 | ||||
| 231 | S | 37 | Very low | 39 | Very low | 32 Ų | 32 | 80.3 Ų | 80.3 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | trans | -145.1 | 151.9 | 166 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | F233 L248 | S231-F233 PolarHBondContact O-N 2.91Å; S231-L248 VanDerWaalsContact OG-CD2 3.31Å; S231-L248 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 232 | D | 33.8 | Very low | 38 | Very low | 172 Ų | 172 | 79.7 Ų | 79.7 | 92% | 0.92 | 46% | 0.463 | S | S | * | . | trans | -81.9 | 22.2 | -162.8 | -57.8 | -47 | 0 | 0 | 0 | 114.9 | ||||
| 233 | F | 32.6 | Very low | 37.8 | Very low | 134 Ų | 134 | 77.6 Ų | 77.6 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | trans | -80.8 | 122.4 | 173.2 | -95.2 | -85.3 | 0 | 0 | 0 | 111.1 | S231 L235 | S231-F233 PolarHBondContact O-N 2.91Å; F233-L235 PolarHBondContact O-N 2.82Å | ||
| 234 | H | 42.6 | Very low | 37.6 | Very low | 153 Ų | 153 | 78.9 Ų | 78.9 | 71% | 0.708 | 44% | 0.435 | S | S | * | . | trans | -77.6 | 59.9 | -172.8 | -142.9 | -74.7 | 0 | 0 | 0 | 112.8 | ||||
| 235 | L | 45.8 | Very low | 37.9 | Very low | 8 Ų | 8 | 75.1 Ų | 75.1 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | trans | -74.3 | 143.6 | 177.2 | -63.9 | -178.5 | 0 | 0 | 0 | 111.8 | F233 V237 L239 R244 M247 L248 | F233-L235 PolarHBondContact O-N 2.82Å; L235-V237 PolarHBondContact O-N 3.06Å; L235-L239 HydrophobicContact CB-CD1 4.31Å; L235-R244 HydrophobicContact CB-CG 4.33Å; L235-M247 HydrophobicContact CD1-CB 3.45Å; L235-M247 VanDerWaalsContact CD1-CB 3.45Å; L235-M247 HydrophobicContact CD1-CE 3.95Å; L235-M247 HydrophobicContact CD1-CG 4.47Å; L235-M247 HydrophobicContact CD1-SD 4.35Å; L235-M247 HydrophobicContact CD2-CE 3.49Å; L235-M247 VanDerWaalsContact CD2-CE 3.49Å; L235-M247 HydrophobicContact CG-CE 4.32Å; L235-L248 HydrophobicContact CD1-CD2 4.38Å; L235-L248 HydrophobicContact CD1-CG 4.37Å | ||
| 236 | P | 40.3 | Very low | 37.9 | Very low | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.032 | 41% | 0.407 | C | S | . | . | trans | -54 | 128.1 | -166.9 | -24.9 | 25.4 | 0 | 0 | 0 | 116 | D39 G238 L239 | D39-P236 HydrophobicContact CB-CB 4.28Å; D39-P236 HydrophobicContact CB-CG 4.46Å; D39-P236 WeakPolarHBondContact OD1-CA 3.44Å; D39-P236 VanDerWaalsContact OD1-CB 3.3Å; D39-P236 WeakPolarHBondContact OD1-CB 3.27Å; P236-G238 PolarHBondContact O-N 2.7Å; P236-L239 HydrophobicContact CB-CD1 4.27Å; P236-L239 HydrophobicContact CB-CG 4.02Å; P236-L239 HydrophobicContact CG-CD1 4.2Å; P236-L239 HydrophobicContact CG-CG 4.34Å; P236-L239 WeakPolarHBondContact O-CB 3.28Å; P236-L239 PolarHBondContact O-N 3.31Å | ||
| 237 | V | 45.9 | Very low | 38.3 | Very low | 74 Ų | 74 | 71.3 Ų | 71.3 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.6 | 178.7 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | D39 L235 L239 | D39-V237 VanDerWaalsContact CG-N 3.27Å; D39-V237 PolarHBondContact OD1-N 2.86Å; D39-V237 VanDerWaalsContact OD1-N 3.15Å; D39-V237 WeakPolarHBondContact OD2-CB 3.4Å; D39-V237 VanDerWaalsContact OD2-CG2 3.27Å; D39-V237 WeakPolarHBondContact OD2-CG2 3.09Å; D39-V237 PolarHBondContact OD2-N 2.72Å; L235-V237 PolarHBondContact O-N 3.06Å; V237-L239 VanDerWaalsContact C-N 3.26Å; V237-L239 PolarHBondContact O-N 3.26Å |
| 238 | G | 39.7 | Very low | 38.5 | Very low | 42 Ų | 42 | 71.6 Ų | 71.6 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -0.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S52 R56 P236 | S52-G238 WeakPolarHBondContact CB-O 3.32Å; S52-G238 PolarHBondContact OG-O 3.12Å; R56-G238 PolarHBondContact NH2-O 3.38Å; P236-G238 PolarHBondContact O-N 2.7Å |
| 239 | L | 40.7 | Very low | 38.9 | Very low | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -70.3 | 138.6 | 165.1 | -72.9 | 169.3 | 0 | 0 | 0 | 108.8 | F55 L235 P236 V237 A243 R244 M247 | F55-L239 HydrophobicContact CD1-CD2 3.93Å; F55-L239 HydrophobicContact CE1-CD2 4.16Å; F55-L239 HydrophobicContact CG-CD2 4.18Å; L235-L239 HydrophobicContact CB-CD1 4.31Å; P236-L239 HydrophobicContact CB-CD1 4.27Å; P236-L239 HydrophobicContact CB-CG 4.02Å; P236-L239 HydrophobicContact CG-CD1 4.2Å; P236-L239 HydrophobicContact CG-CG 4.34Å; P236-L239 WeakPolarHBondContact O-CB 3.28Å; P236-L239 PolarHBondContact O-N 3.31Å; V237-L239 VanDerWaalsContact C-N 3.26Å; V237-L239 PolarHBondContact O-N 3.26Å; L239-A243 HydrophobicContact CB-CB 4.43Å; L239-A243 HydrophobicContact CD2-CB 4.34Å; L239-R244 HydrophobicContact CB-CB 4.35Å; L239-M247 HydrophobicContact CD1-SD 3.94Å |
| 240 | T | 46.1 | Very low | 39.4 | Very low | 36 Ų | 36 | 64.6 Ų | 64.6 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | trans | -59.4 | 143.7 | 174.4 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | P215 S242 A243 R244 | P215-T240 HydrophobicContact CB-CG2 3.85Å; T240-S242 PolarHBondContact O-N 2.94Å; T240-A243 PolarHBondContact O-N 3.37Å; T240-R244 PolarHBondContact O-N 3.35Å; T240-R244 VanDerWaalsContact O-N 3.07Å | ||
| 241 | P | 39.8 | Very low | 39.8 | Very low | 111 Ų | 111 | 58 Ų | 58 | 72% | 0.721 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -51.3 | -33.7 | -171.4 | -31.9 | 36.4 | 0 | 0 | 0 | 114.2 | R245 | P241-R245 WeakPolarHBondContact O-CB 3.36Å; P241-R245 PolarHBondContact O-N 3.17Å |
| 242 | S | 37.6 | Very low | 39.8 | Very low | 34 Ų | 34 | 60.5 Ų | 60.5 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.2 | -33 | 178.6 | -40.8 | 0 | 0 | 0 | 0 | 114.3 | P215 T240 R245 Y246 | P215-S242 WeakPolarHBondContact O-CB 3.32Å; P215-S242 PolarHBondContact O-OG 3.14Å; T240-S242 PolarHBondContact O-N 2.94Å; S242-R245 PolarHBondContact O-N 2.93Å; S242-Y246 VanDerWaalsContact O-CB 3.26Å; S242-Y246 WeakPolarHBondContact O-CB 3.11Å; S242-Y246 PolarHBondContact O-N 3.01Å |
| 243 | A | 40.9 | Very low | 39.7 | Very low | 11 Ų | 11 | 55 Ų | 55 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L239 T240 M247 | L239-A243 HydrophobicContact CB-CB 4.43Å; L239-A243 HydrophobicContact CD2-CB 4.34Å; T240-A243 PolarHBondContact O-N 3.37Å; A243-M247 WeakPolarHBondContact O-CB 3.38Å; A243-M247 VanDerWaalsContact O-CG 3.25Å; A243-M247 WeakPolarHBondContact O-CG 3.49Å; A243-M247 PolarHBondContact O-N 3.25Å |
| 244 | R | 40.2 | Very low | 39.4 | Very low | 91 Ų | 91 | 51.4 Ų | 51.4 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 172.3 | -164.7 | 176 | -177.7 | -172.7 | 3.1 | 111.7 | L235 L239 T240 M247 L248 | L235-R244 HydrophobicContact CB-CG 4.33Å; L239-R244 HydrophobicContact CB-CB 4.35Å; T240-R244 PolarHBondContact O-N 3.35Å; T240-R244 VanDerWaalsContact O-N 3.07Å; R244-M247 PolarHBondContact O-N 3.24Å; R244-L248 HydrophobicContact CG-CD1 4.04Å; R244-L248 HydrophobicContact CG-CG 4.46Å; R244-L248 WeakPolarHBondContact O-CB 3.45Å; R244-L248 WeakPolarHBondContact O-CG 3.45Å; R244-L248 PolarHBondContact O-N 2.85Å |
| 245 | R | 38.6 | Very low | 38.6 | Very low | 78 Ų | 78 | 49.8 Ų | 49.8 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -51.2 | 176.2 | -170.2 | -173.5 | -150.9 | 131.8 | -4.9 | 112 | E226 S227 P241 S242 M247 L248 E249 | E226-R245 VanDerWaalsContact CA-NH2 3.27Å; E226-R245 PolarHBondContact O-NE 2.86Å; E226-R245 PolarHBondContact O-NH2 3.18Å; E226-R245 IonicContact OE1-CZ 3.39Å; E226-R245 IonicContact OE1-NH1 2.71Å; E226-R245 IonicContact OE1-NH2 3.34Å; E226-R245 PolarHBondContact OE1-NH2 3.12Å; S227-R245 PolarHBondContact O-NH2 3.23Å; P241-R245 WeakPolarHBondContact O-CB 3.36Å; P241-R245 PolarHBondContact O-N 3.17Å; S242-R245 PolarHBondContact O-N 2.93Å; R245-M247 VanDerWaalsContact C-N 3.3Å; R245-M247 PolarHBondContact O-N 3.03Å; R245-L248 PolarHBondContact O-N 3.34Å; R245-L248 VanDerWaalsContact O-N 3.16Å; R245-E249 IonicContact NE-OE1 2.7Å; R245-E249 WeakPolarHBondContact O-CB 3.28Å; R245-E249 WeakPolarHBondContact O-CG 3.28Å; R245-E249 PolarHBondContact O-N 3.47Å |
| 246 | Y | 40.2 | Very low | 37.5 | Very low | 61 Ų | 61 | 52.4 Ų | 52.4 | 24% | 0.239 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 176.2 | -177.1 | -93.6 | 0 | 0 | 0 | 110.6 | F26 S242 V250 | F26-Y246 HydrophobicContact CD1-CE1 4.17Å; F26-Y246 HydrophobicContact CE1-CD1 4.42Å; F26-Y246 HydrophobicContact CE1-CE1 4.35Å; S242-Y246 VanDerWaalsContact O-CB 3.26Å; S242-Y246 WeakPolarHBondContact O-CB 3.11Å; S242-Y246 PolarHBondContact O-N 3.01Å; Y246-V250 HydrophobicContact CD1-CG2 4.19Å; Y246-V250 HydrophobicContact CD2-CG2 4.42Å; Y246-V250 HydrophobicContact CE1-CG2 3.98Å; Y246-V250 HydrophobicContact CE2-CG2 4.24Å; Y246-V250 HydrophobicContact CG-CG2 4.4Å; Y246-V250 WeakPolarHBondContact O-CB 3.48Å; Y246-V250 WeakPolarHBondContact O-CG2 3.06Å; Y246-V250 PolarHBondContact O-N 2.87Å |
| 247 | M | 38.1 | Very low | 36.6 | Very low | 11 Ų | 11 | 54.8 Ų | 54.8 | 5% | 0.054 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 177 | -70.8 | -178.9 | 67.6 | 0 | 0 | 113.2 | G30 F55 L235 L239 A243 R244 R245 S251 | G30-M247 WeakPolarHBondContact O-CE 3.33Å; F55-M247 HydrophobicContact CE2-CE 4.44Å; F55-M247 HydrophobicContact CE2-SD 4.12Å; F55-M247 HydrophobicContact CZ-SD 4.12Å; L235-M247 HydrophobicContact CD1-CB 3.45Å; L235-M247 VanDerWaalsContact CD1-CB 3.45Å; L235-M247 HydrophobicContact CD1-CE 3.95Å; L235-M247 HydrophobicContact CD1-CG 4.47Å; L235-M247 HydrophobicContact CD1-SD 4.35Å; L235-M247 HydrophobicContact CD2-CE 3.49Å; L235-M247 VanDerWaalsContact CD2-CE 3.49Å; L235-M247 HydrophobicContact CG-CE 4.32Å; L239-M247 HydrophobicContact CD1-SD 3.94Å; A243-M247 WeakPolarHBondContact O-CB 3.38Å; A243-M247 VanDerWaalsContact O-CG 3.25Å; A243-M247 WeakPolarHBondContact O-CG 3.49Å; A243-M247 PolarHBondContact O-N 3.25Å; R244-M247 PolarHBondContact O-N 3.24Å; R245-M247 VanDerWaalsContact C-N 3.3Å; R245-M247 PolarHBondContact O-N 3.03Å; M247-S251 WeakPolarHBondContact O-CB 3.45Å; M247-S251 PolarHBondContact O-N 3.4Å; M247-S251 PolarHBondContact O-OG 2.8Å |
| 248 | L | 40.9 | Very low | 35.5 | Very low | 26 Ų | 26 | 59.6 Ų | 59.6 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 175.5 | -70.8 | 167 | 0 | 0 | 0 | 111.8 | S231 L235 R244 R245 V250 S251 N252 | S231-L248 VanDerWaalsContact OG-CD2 3.31Å; S231-L248 WeakPolarHBondContact OG-CD2 3.45Å; L235-L248 HydrophobicContact CD1-CD2 4.38Å; L235-L248 HydrophobicContact CD1-CG 4.37Å; R244-L248 HydrophobicContact CG-CD1 4.04Å; R244-L248 HydrophobicContact CG-CG 4.46Å; R244-L248 WeakPolarHBondContact O-CB 3.45Å; R244-L248 WeakPolarHBondContact O-CG 3.45Å; R244-L248 PolarHBondContact O-N 2.85Å; R245-L248 PolarHBondContact O-N 3.34Å; R245-L248 VanDerWaalsContact O-N 3.16Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 3.41Å; L248-S251 PolarHBondContact O-N 2.92Å; L248-N252 WeakPolarHBondContact O-CB 3.45Å; L248-N252 PolarHBondContact O-N 3.36Å |
| 249 | E | 38.4 | Very low | 34.7 | Very low | 56 Ų | 56 | 63.4 Ų | 63.4 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 175.3 | -75.2 | 178.6 | -174.6 | 0 | 0 | 112.8 | S227 R245 S253 | S227-E249 PolarHBondContact OG-OE1 3.1Å; R245-E249 IonicContact NE-OE1 2.7Å; R245-E249 WeakPolarHBondContact O-CB 3.28Å; R245-E249 WeakPolarHBondContact O-CG 3.28Å; R245-E249 PolarHBondContact O-N 3.47Å; E249-S253 PolarHBondContact O-N 2.74Å |
| 250 | V | 40 | Very low | 33.8 | Very low | 17 Ų | 17 | 71.6 Ų | 71.6 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -83.6 | -30.6 | -178.7 | 174 | 0 | 0 | 0 | 0 | 111.8 | R27 Y246 L248 S253 | R27-V250 HydrophobicContact CB-CG1 4.24Å; R27-V250 HydrophobicContact CG-CG1 3.38Å; Y246-V250 HydrophobicContact CD1-CG2 4.19Å; Y246-V250 HydrophobicContact CD2-CG2 4.42Å; Y246-V250 HydrophobicContact CE1-CG2 3.98Å; Y246-V250 HydrophobicContact CE2-CG2 4.24Å; Y246-V250 HydrophobicContact CG-CG2 4.4Å; Y246-V250 WeakPolarHBondContact O-CB 3.48Å; Y246-V250 WeakPolarHBondContact O-CG2 3.06Å; Y246-V250 PolarHBondContact O-N 2.87Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 3.41Å; V250-S253 WeakPolarHBondContact CA-OG 3.39Å; V250-S253 PolarHBondContact O-N 2.89Å; V250-S253 PolarHBondContact O-OG 2.74Å |
| 251 | S | 37.5 | Very low | 32.8 | Very low | 53 Ų | 53 | 76.6 Ų | 76.6 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.4 | -38 | 172.9 | -57 | 0 | 0 | 0 | 0 | 111.8 | M247 L248 S253 | M247-S251 WeakPolarHBondContact O-CB 3.45Å; M247-S251 PolarHBondContact O-N 3.4Å; M247-S251 PolarHBondContact O-OG 2.8Å; L248-S251 PolarHBondContact O-N 2.92Å; S251-S253 PolarHBondContact O-N 2.69Å |
| 252 | N | 35.8 | Very low | 32.1 | Very low | 85 Ų | 85 | 77.6 Ų | 77.6 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -71 | -15.3 | 171.7 | -76.2 | -8.7 | 0 | 0 | 0 | 113 | L248 G254 | L248-N252 WeakPolarHBondContact O-CB 3.45Å; L248-N252 PolarHBondContact O-N 3.36Å; N252-G254 PolarHBondContact O-N 2.75Å |
| 253 | S | 31.5 | Very low | 31.3 | Very low | 56 Ų | 56 | 87.7 Ų | 87.7 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -76.3 | 75.4 | 166.1 | 70.9 | 0 | 0 | 0 | 0 | 110.4 | E249 V250 S251 F255 | E249-S253 PolarHBondContact O-N 2.74Å; V250-S253 WeakPolarHBondContact CA-OG 3.39Å; V250-S253 PolarHBondContact O-N 2.89Å; V250-S253 PolarHBondContact O-OG 2.74Å; S251-S253 PolarHBondContact O-N 2.69Å; S253-F255 PolarHBondContact O-N 3.24Å; S253-F255 VanDerWaalsContact O-N 3.1Å |
| 254 | G | 26.2 | Very low | 30.4 | Very low | 60 Ų | 60 | 98.3 Ų | 98.3 | 62% | 0.619 | 52% | 0.517 | S | S | * | . | trans | -53.3 | 110.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N252 | N252-G254 PolarHBondContact O-N 2.75Š| ||
| 255 | F | 25.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 97 Ų | 97 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | trans | -105.8 | 84.2 | 156.4 | -157.1 | -94.1 | 0 | 0 | 0 | 107.7 | R31 S253 | R31-F255 PolarHBondContact NH1-O 2.94Å; S253-F255 PolarHBondContact O-N 3.24Å; S253-F255 VanDerWaalsContact O-N 3.1Å | ||
| 256 | G | 23.5 | Very low | 29 | Very low | 64 Ų | 64 | 101.2 Ų | 101.2 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | trans | -62.2 | 147.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 257 | G | 21.8 | Very low | 28.2 | Very low | 54 Ų | 54 | 102.1 Ų | 102.1 | 56% | 0.557 | 58% | 0.58 | S | S | * | * | trans | -65 | 162.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T259 | G257-T259 PolarHBondContact O-N 2.69Š| ||
| 258 | F | 22.5 | Very low | 27.6 | Very low | 176 Ų | 176 | 105.5 Ų | 105.5 | 77% | 0.772 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -71.6 | 51.1 | 175 | -105.8 | -83.8 | 0 | 0 | 0 | 113.1 | ||
| 259 | T | 22.9 | Very low | 26.9 | Very low | 122 Ų | 122 | 108.4 Ų | 108.4 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | trans | -129.8 | 83.7 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 110.6 | G257 | G257-T259 PolarHBondContact O-N 2.69Š| ||
| 260 | E | 21.8 | Very low | 26.3 | Very low | 184 Ų | 184 | 108.4 Ų | 108.4 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | trans | 167.5 | 102.6 | 133.6 | -92.9 | 179.9 | 174.5 | 0 | 0 | 109.5 | T262 | E260-T262 PolarHBondContact O-N 2.71Š| ||
| 261 | T | 25.5 | Very low | 25.6 | Very low | 140 Ų | 140 | 110 Ų | 110 | 86% | 0.859 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -56.5 | 123.2 | 160.2 | 45.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 262 | T | 24.5 | Very low | 25.2 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 81% | 0.81 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 102.2 | 55.6 | -179.4 | -37 | 0 | 0 | 0 | 0 | 116.5 | E260 | E260-T262 PolarHBondContact O-N 2.71Š|
| 263 | R | 21.6 | Very low | 24.9 | Very low | 246 Ų | 246 | 110.7 Ų | 110.7 | 93% | 0.928 | 66% | 0.659 | S | S | * | * | -156 | 121 | 123.7 | -104 | 154.9 | -157.4 | -118.6 | 6.2 | 111.5 | |||||
| 264 | R | 21.5 | Very low | 24.6 | Very low | 235 Ų | 235 | 114.7 Ų | 114.7 | 89% | 0.887 | 67% | 0.665 | S | S | * | * | trans | -81.2 | 131.6 | 177.9 | -63.7 | 175.6 | 177.7 | -174.8 | -2.1 | 109.6 | ||||
| 265 | G | 23.2 | Very low | 24.5 | Very low | 62 Ų | 62 | 117.6 Ų | 117.6 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 137.4 | 125.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 266 | N | 25 | Very low | 24.8 | Very low | 167 Ų | 167 | 115.8 Ų | 115.8 | 89% | 0.893 | 66% | 0.662 | S | S | * | * | trans | 76.3 | 22.7 | 143.1 | -54.9 | 8.1 | 0 | 0 | 0 | 121.6 | ||||
| 267 | A | 25 | Very low | 25.1 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | trans | -84.6 | -10.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 268 | N | 24.6 | Very low | 26.1 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 44% | 0.444 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -103.4 | 2.9 | -165.7 | -74 | 5.3 | 0 | 0 | 0 | 116.3 | G270 Y799 | N268-G270 PolarHBondContact O-N 2.9Å; N268-Y799 WeakPolarHBondContact CB-OH 3.46Å |
| 269 | A | 27 | Very low | 27.5 | Very low | 86 Ų | 86 | 105.6 Ų | 105.6 | 71% | 0.711 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -27.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A271 | A269-A271 PolarHBondContact O-N 2.73Š|
| 270 | G | 26.1 | Very low | 29.1 | Very low | 57 Ų | 57 | 103.2 Ų | 103.2 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -22.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | N268 | N268-G270 PolarHBondContact O-N 2.9Š|
| 271 | A | 25.4 | Very low | 31.3 | Very low | 51 Ų | 51 | 94.9 Ų | 94.9 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -27.9 | -165 | 0 | 0 | 0 | 0 | 0 | 115.3 | A269 | A269-A271 PolarHBondContact O-N 2.73Š|
| 272 | I | 28.4 | Very low | 33.2 | Very low | 104 Ų | 104 | 91.1 Ų | 91.1 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -14.2 | -168.3 | -60.4 | 178.8 | 0 | 0 | 0 | 113.2 | R274 L275 | I272-R274 PolarHBondContact O-N 2.89Å; I272-L275 PolarHBondContact O-N 3.08Å |
| 273 | S | 29.3 | Very low | 35.1 | Very low | 48 Ų | 48 | 86.2 Ų | 86.2 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -24.3 | 170.8 | -165.2 | 0 | 0 | 0 | 0 | 112.8 | L275 G278 | S273-L275 PolarHBondContact O-N 3.03Å; S273-G278 PolarHBondContact O-N 2.82Å; S273-G278 VanDerWaalsContact O-N 3.16Å |
| 274 | R | 25.5 | Very low | 37.6 | Very low | 139 Ų | 139 | 77.3 Ų | 77.3 | 53% | 0.525 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.1 | 177.7 | -57.2 | -168.9 | -171.2 | -152 | 4.6 | 115.5 | I272 | I272-R274 PolarHBondContact O-N 2.89Š|
| 275 | L | 24.6 | Very low | 40 | Very low | 122 Ų | 122 | 68.5 Ų | 68.5 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -37.4 | -177.5 | -73 | 173.1 | 0 | 0 | 0 | 113.6 | I272 S273 G277 | I272-L275 PolarHBondContact O-N 3.08Å; S273-L275 PolarHBondContact O-N 3.03Å; L275-G277 PolarHBondContact O-N 2.9Å |
| 276 | N | 30.6 | Very low | 42.3 | Very low | 80 Ų | 80 | 67 Ų | 67 | 43% | 0.428 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 30.4 | -176.5 | -69.2 | 1.8 | 0 | 0 | 0 | 113.3 | G278 P796 | N276-G278 PolarHBondContact O-N 3.34Å; N276-P796 PolarHBondContact ND2-O 3.42Å |
| 277 | G | 30.3 | Very low | 45 | Very low | 44 Ų | 44 | 60.9 Ų | 60.9 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 30.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L275 K482 | L275-G277 PolarHBondContact O-N 2.9Å; G277-K482 PolarHBondContact O-NZ 3.35Å |
| 278 | G | 42.5 | Very low | 47.7 | Very low | 19 Ų | 19 | 60.7 Ų | 60.7 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | trans | -62 | 144.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S273 N276 N280 | S273-G278 PolarHBondContact O-N 2.82Å; S273-G278 VanDerWaalsContact O-N 3.16Å; N276-G278 PolarHBondContact O-N 3.34Å; G278-N280 PolarHBondContact O-N 2.91Å | ||
| 279 | V | 51.9 | Low | 50.5 | Low | 16 Ų | 16 | 62.7 Ų | 62.7 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | trans | -69.7 | 105.3 | -178.9 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | F281 E479 K482 | V279-F281 HydrophobicContact CB-CD2 4.29Å; V279-F281 HydrophobicContact CB-CE2 3.75Å; V279-F281 HydrophobicContact CB-CZ 4.41Å; V279-F281 HydrophobicContact CG1-CD2 3.88Å; V279-F281 HydrophobicContact CG1-CE1 4.26Å; V279-F281 HydrophobicContact CG1-CE2 3.21Å; V279-F281 HydrophobicContact CG1-CZ 3.43Å; V279-F281 VanDerWaalsContact CG1-CZ 3.43Å; V279-F281 PolarHBondContact O-N 3.41Å; V279-E479 HydrophobicContact CG1-CB 3.7Å; V279-E479 WeakPolarHBondContact CG1-O 3.29Å; V279-K482 HydrophobicContact CG2-CB 3.85Å; V279-K482 HydrophobicContact CG2-CD 3.75Å; V279-K482 HydrophobicContact CG2-CG 3.68Å | ||
| 280 | N | 57.1 | Low | 53.1 | Low | 73 Ų | 73 | 59.3 Ų | 59.3 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | trans | -88.4 | 73.4 | -166.4 | -172.2 | 19 | 0 | 0 | 0 | 113.3 | G278 S282 N283 | G278-N280 PolarHBondContact O-N 2.91Å; N280-S282 PolarHBondContact O-N 2.86Å; N280-S282 WeakPolarHBondContact OD1-CB 3.39Å; N280-S282 PolarHBondContact OD1-N 2.94Å; N280-S282 PolarHBondContact OD1-OG 3.2Å; N280-N283 PolarHBondContact O-N 3.24Å | ||
| 281 | F | 66.8 | Low | 56.1 | Low | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -3.5 | 169.6 | -57.8 | -79.8 | 0 | 0 | 0 | 113.9 | V279 N283 R287 N290 L440 I480 Y483 | V279-F281 HydrophobicContact CB-CD2 4.29Å; V279-F281 HydrophobicContact CB-CE2 3.75Å; V279-F281 HydrophobicContact CB-CZ 4.41Å; V279-F281 HydrophobicContact CG1-CD2 3.88Å; V279-F281 HydrophobicContact CG1-CE1 4.26Å; V279-F281 HydrophobicContact CG1-CE2 3.21Å; V279-F281 HydrophobicContact CG1-CZ 3.43Å; V279-F281 VanDerWaalsContact CG1-CZ 3.43Å; V279-F281 PolarHBondContact O-N 3.41Å; F281-N283 PolarHBondContact O-N 2.95Å; F281-R287 HydrophobicContact CB-CG 4.42Å; F281-R287 WeakPolarHBondContact O-CD 3.46Å; F281-R287 VanDerWaalsContact O-CG 3.27Å; F281-R287 WeakPolarHBondContact O-CG 3.42Å; F281-R287 PolarHBondContact O-NE 2.87Å; F281-N290 WeakPolarHBondContact CE1-ND2 3.37Å; F281-L440 HydrophobicContact CD1-CB 4.02Å; F281-L440 HydrophobicContact CD1-CD2 4.42Å; F281-L440 VanDerWaalsContact CD1-O 3.22Å; F281-L440 WeakPolarHBondContact CD1-O 3.33Å; F281-L440 HydrophobicContact CD2-CD2 3.63Å; F281-L440 HydrophobicContact CE1-CB 3.94Å; F281-L440 HydrophobicContact CE1-CD2 4.49Å; F281-L440 HydrophobicContact CE2-CD2 3.71Å; F281-L440 HydrophobicContact CG-CB 4.39Å; F281-L440 HydrophobicContact CG-CD2 4Å; F281-L440 HydrophobicContact CZ-CB 4.24Å; F281-L440 HydrophobicContact CZ-CD1 4.38Å; F281-L440 HydrophobicContact CZ-CD2 4.15Å; F281-L440 HydrophobicContact CZ-CG 4.5Å; F281-I480 HydrophobicContact CE1-CG1 4.05Å; F281-I480 HydrophobicContact CZ-CG1 4.06Å; F281-Y483 HydrophobicContact CD2-CD2 4.12Å; F281-Y483 AromaticContact CE2-CD2 3.63Å; F281-Y483 HydrophobicContact CE2-CD2 3.63Å; F281-Y483 HydrophobicContact CE2-CE2 4.46Å; F281-Y483 AromaticContact CE2-CG 3.68Å; F281-Y483 HydrophobicContact CE2-CG 3.68Å; F281-Y483 HydrophobicContact CZ-CG 4.36Å |
| 282 | S | 65.8 | Low | 59.1 | Low | 62 Ų | 62 | 60.2 Ų | 60.2 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.6 | 171.7 | -24.6 | 0 | 0 | 0 | 0 | 111.3 | N280 P284 | N280-S282 PolarHBondContact O-N 2.86Å; N280-S282 WeakPolarHBondContact OD1-CB 3.39Å; N280-S282 PolarHBondContact OD1-N 2.94Å; N280-S282 PolarHBondContact OD1-OG 3.2Å; S282-P284 WeakPolarHBondContact O-CD 3.23Å |
| 283 | N | 65.7 | Low | 62 | Low | 29 Ų | 29 | 59.6 Ų | 59.6 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -68.3 | 121.7 | 179.9 | -177.3 | -14.3 | 0 | 0 | 0 | 111 | N280 F281 E285 A286 R287 | N280-N283 PolarHBondContact O-N 3.24Å; F281-N283 PolarHBondContact O-N 2.95Å; N283-E285 PolarHBondContact ND2-OE2 3.5Å; N283-E285 PolarHBondContact O-N 2.93Å; N283-E285 PolarHBondContact OD1-N 3.06Å; N283-E285 PolarHBondContact OD1-OE1 3.1Å; N283-E285 PolarHBondContact OD1-OE2 2.76Å; N283-A286 HydrophobicContact CB-CB 4.07Å; N283-A286 PolarHBondContact O-N 3.45Å; N283-R287 PolarHBondContact O-N 2.82Å |
| 284 | P | 72.6 | Confident | 64.9 | Low | 59 Ų | 59 | 57.7 Ų | 57.7 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.7 | -39.1 | 171.3 | -24 | 35 | 0 | 0 | 0 | 115.7 | S282 R287 S288 | S282-P284 WeakPolarHBondContact O-CD 3.23Å; P284-R287 PolarHBondContact O-N 2.94Å; P284-S288 WeakPolarHBondContact O-CB 3.24Å; P284-S288 PolarHBondContact O-N 3.19Å |
| 285 | E | 72.1 | Confident | 68 | Low | 50 Ų | 50 | 55.7 Ų | 55.7 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 178.4 | -61.6 | 83.3 | -112 | 0 | 0 | 111.8 | E226 S227 N283 R287 S288 Q289 | E226-E285 WeakPolarHBondContact CA-OE2 3.28Å; E226-E285 HydrophobicContact CB-CG 4.19Å; E226-E285 PolarHBondContact N-OE2 3.27Å; S227-E285 VanDerWaalsContact CA-OE1 3.28Å; S227-E285 WeakPolarHBondContact CA-OE1 3.28Å; S227-E285 VanDerWaalsContact N-CD 3.26Å; S227-E285 PolarHBondContact N-OE1 3.31Å; S227-E285 PolarHBondContact N-OE2 3.01Å; N283-E285 PolarHBondContact ND2-OE2 3.5Å; N283-E285 PolarHBondContact O-N 2.93Å; N283-E285 PolarHBondContact OD1-N 3.06Å; N283-E285 PolarHBondContact OD1-OE1 3.1Å; N283-E285 PolarHBondContact OD1-OE2 2.76Å; E285-R287 VanDerWaalsContact C-N 3.28Å; E285-R287 PolarHBondContact O-N 3.21Å; E285-S288 CarbonylContact O-C 3.58Å; E285-S288 WeakPolarHBondContact O-CB 3.47Å; E285-S288 PolarHBondContact O-N 3.09Å; E285-S288 VanDerWaalsContact O-N 3.14Å; E285-Q289 WeakPolarHBondContact O-CG 3.47Å; E285-Q289 PolarHBondContact O-N 2.87Å |
| 286 | A | 71.8 | Confident | 71.1 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 24% | 0.24 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N283 Q289 N290 | N283-A286 HydrophobicContact CB-CB 4.07Å; N283-A286 PolarHBondContact O-N 3.45Å; A286-Q289 PolarHBondContact O-N 2.95Å; A286-N290 WeakPolarHBondContact O-CB 3.43Å; A286-N290 VanDerWaalsContact O-CG 3.23Å; A286-N290 PolarHBondContact O-N 3.35Å; A286-N290 PolarHBondContact O-ND2 2.96Å; A286-N290 VanDerWaalsContact O-ND2 3.09Å |
| 287 | R | 81.6 | Confident | 73.9 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 170.6 | -73.8 | -167.2 | -75.3 | 129.9 | 0.1 | 112.2 | F281 N283 P284 E285 Q289 N290 L291 L440 S441 C442 D443 | F281-R287 HydrophobicContact CB-CG 4.42Å; F281-R287 WeakPolarHBondContact O-CD 3.46Å; F281-R287 VanDerWaalsContact O-CG 3.27Å; F281-R287 WeakPolarHBondContact O-CG 3.42Å; F281-R287 PolarHBondContact O-NE 2.87Å; N283-R287 PolarHBondContact O-N 2.82Å; P284-R287 PolarHBondContact O-N 2.94Å; E285-R287 VanDerWaalsContact C-N 3.28Å; E285-R287 PolarHBondContact O-N 3.21Å; R287-Q289 VanDerWaalsContact C-N 3.32Å; R287-Q289 PolarHBondContact O-N 2.89Å; R287-N290 PolarHBondContact O-N 3.12Å; R287-L291 VanDerWaalsContact O-CB 3.27Å; R287-L291 WeakPolarHBondContact O-CB 3.43Å; R287-L291 PolarHBondContact O-N 3.13Å; R287-L440 WeakPolarHBondContact CG-O 3.49Å; R287-S441 CarbonylContact C-O 3.6Å; R287-S441 WeakPolarHBondContact CB-O 3.44Å; R287-S441 VanDerWaalsContact O-O 3.08Å; R287-C442 PolarHBondContact NH1-O 3.02Å; R287-D443 WeakPolarHBondContact CD-O 3.28Å |
| 288 | S | 82.1 | Confident | 76.8 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -38.2 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 113.1 | P284 E285 N292 | P284-S288 WeakPolarHBondContact O-CB 3.24Å; P284-S288 PolarHBondContact O-N 3.19Å; E285-S288 CarbonylContact O-C 3.58Å; E285-S288 WeakPolarHBondContact O-CB 3.47Å; E285-S288 PolarHBondContact O-N 3.09Å; E285-S288 VanDerWaalsContact O-N 3.14Å; S288-N292 WeakPolarHBondContact O-CB 3.44Å; S288-N292 PolarHBondContact O-N 3.24Å |
| 289 | Q | 82.7 | Confident | 79.1 | Confident | 125 Ų | 125 | 58.5 Ų | 58.5 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.7 | -46.7 | 174.8 | -71.2 | 176.2 | 16.5 | 0 | 0 | 111.8 | E285 A286 R287 L291 N292 Q293 | E285-Q289 WeakPolarHBondContact O-CG 3.47Å; E285-Q289 PolarHBondContact O-N 2.87Å; A286-Q289 PolarHBondContact O-N 2.95Å; R287-Q289 VanDerWaalsContact C-N 3.32Å; R287-Q289 PolarHBondContact O-N 2.89Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 3.32Å; Q289-N292 PolarHBondContact O-N 2.84Å; Q289-Q293 WeakPolarHBondContact O-CG 3.35Å; Q289-Q293 PolarHBondContact O-N 3.15Å |
| 290 | N | 82.9 | Confident | 80.7 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.4 | -70 | -32.4 | 0 | 0 | 0 | 111.5 | F281 A286 R287 Q293 L294 I480 | F281-N290 WeakPolarHBondContact CE1-ND2 3.37Å; A286-N290 WeakPolarHBondContact O-CB 3.43Å; A286-N290 VanDerWaalsContact O-CG 3.23Å; A286-N290 PolarHBondContact O-N 3.35Å; A286-N290 PolarHBondContact O-ND2 2.96Å; A286-N290 VanDerWaalsContact O-ND2 3.09Å; R287-N290 PolarHBondContact O-N 3.12Å; N290-Q293 PolarHBondContact O-N 3.18Å; N290-L294 WeakPolarHBondContact O-CB 3.3Å; N290-L294 PolarHBondContact O-N 2.75Å; N290-I480 HydrophobicContact CB-CD1 4.42Å |
| 291 | L | 89.4 | Confident | 82.3 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 175.3 | 178.8 | 58.5 | 0 | 0 | 0 | 111.9 | R287 Q289 L294 Q295 L371 | R287-L291 VanDerWaalsContact O-CB 3.27Å; R287-L291 WeakPolarHBondContact O-CB 3.43Å; R287-L291 PolarHBondContact O-N 3.13Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 3.32Å; L291-L294 PolarHBondContact O-N 3.35Å; L291-Q295 HydrophobicContact CD1-CG 4.34Å; L291-Q295 WeakPolarHBondContact O-CB 3.3Å; L291-Q295 VanDerWaalsContact O-CG 3.28Å; L291-Q295 WeakPolarHBondContact O-CG 3.38Å; L291-Q295 PolarHBondContact O-N 2.73Å; L291-L371 HydrophobicContact CD1-CD1 3.58Å |
| 292 | N | 88.3 | Confident | 83.3 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 46% | 0.46 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.6 | -170.8 | -92.8 | 0 | 0 | 0 | 111.5 | S288 Q289 L294 Q295 I296 | S288-N292 WeakPolarHBondContact O-CB 3.44Å; S288-N292 PolarHBondContact O-N 3.24Å; Q289-N292 PolarHBondContact O-N 2.84Å; N292-L294 PolarHBondContact O-N 3Å; N292-Q295 PolarHBondContact O-N 2.88Å; N292-I296 VanDerWaalsContact O-CG1 3.32Å; N292-I296 WeakPolarHBondContact O-CG1 3.21Å; N292-I296 PolarHBondContact O-N 3.39Å; N292-I296 WeakPolarHBondContact OD1-CD1 3.48Å |
| 293 | Q | 88.1 | Confident | 84.4 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.3 | -71.9 | 176 | -4.4 | 0 | 0 | 111.9 | Q289 N290 I296 L297 P477 | Q289-Q293 WeakPolarHBondContact O-CG 3.35Å; Q289-Q293 PolarHBondContact O-N 3.15Å; N290-Q293 PolarHBondContact O-N 3.18Å; Q293-I296 PolarHBondContact O-N 3.03Å; Q293-L297 WeakPolarHBondContact O-CB 3.42Å; Q293-L297 PolarHBondContact O-N 2.89Å; Q293-P477 HydrophobicContact CB-CG 4.42Å |
| 294 | L | 90 | Very high | 85.6 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 174.9 | -176.7 | 60.8 | 0 | 0 | 0 | 111.7 | N290 L291 N292 L297 L298 L375 V438 | N290-L294 WeakPolarHBondContact O-CB 3.3Å; N290-L294 PolarHBondContact O-N 2.75Å; L291-L294 PolarHBondContact O-N 3.35Å; N292-L294 PolarHBondContact O-N 3Å; L294-L297 HydrophobicContact CD1-CD2 4.49Å; L294-L297 PolarHBondContact O-N 3.3Å; L294-L298 HydrophobicContact CD1-CD1 3.97Å; L294-L298 HydrophobicContact CD1-CG 4.15Å; L294-L298 HydrophobicContact CG-CD1 4.02Å; L294-L298 HydrophobicContact CG-CG 4.49Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 VanDerWaalsContact O-CG 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 2.71Å; L294-L375 HydrophobicContact CD1-CD1 4.04Å; L294-L375 HydrophobicContact CD1-CD2 4.16Å; L294-V438 HydrophobicContact CD2-CG2 4.11Å |
| 295 | Q | 91.6 | Very high | 86.5 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 174.6 | -74.9 | 172.8 | -10.6 | 0 | 0 | 112.7 | L291 N292 N299 L371 | L291-Q295 HydrophobicContact CD1-CG 4.34Å; L291-Q295 WeakPolarHBondContact O-CB 3.3Å; L291-Q295 VanDerWaalsContact O-CG 3.28Å; L291-Q295 WeakPolarHBondContact O-CG 3.38Å; L291-Q295 PolarHBondContact O-N 2.73Å; N292-Q295 PolarHBondContact O-N 2.88Å; Q295-N299 PolarHBondContact O-N 3.14Å; Q295-N299 VanDerWaalsContact O-N 3.09Å; Q295-L371 HydrophobicContact CG-CD2 4.32Å |
| 296 | I | 90.3 | Very high | 87.4 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.7 | -45.6 | 172.7 | -70.6 | 165.2 | 0 | 0 | 0 | 110.6 | N292 Q293 L298 N299 | N292-I296 VanDerWaalsContact O-CG1 3.32Å; N292-I296 WeakPolarHBondContact O-CG1 3.21Å; N292-I296 PolarHBondContact O-N 3.39Å; N292-I296 WeakPolarHBondContact OD1-CD1 3.48Å; Q293-I296 PolarHBondContact O-N 3.03Å; I296-L298 VanDerWaalsContact C-N 3.35Å; I296-L298 PolarHBondContact O-N 3.44Å; I296-N299 VanDerWaalsContact O-CB 3.27Å; I296-N299 WeakPolarHBondContact O-CB 3.25Å; I296-N299 PolarHBondContact O-N 2.9Å |
| 297 | L | 89.2 | Confident | 88.3 | Confident | 60 Ų | 60 | 72.7 Ų | 72.7 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 177.5 | 179 | 62.3 | 0 | 0 | 0 | 111.5 | Q293 L294 N299 M378 | Q293-L297 WeakPolarHBondContact O-CB 3.42Å; Q293-L297 PolarHBondContact O-N 2.89Å; L294-L297 HydrophobicContact CD1-CD2 4.49Å; L294-L297 PolarHBondContact O-N 3.3Å; L297-N299 VanDerWaalsContact C-N 3.31Å; L297-N299 PolarHBondContact O-N 3.13Å; L297-M378 HydrophobicContact CD1-CE 4.05Å; L297-M378 HydrophobicContact CD1-SD 3.92Å; L297-M378 HydrophobicContact CD2-SD 4.29Å; L297-M378 HydrophobicContact CG-CE 3.95Å; L297-M378 HydrophobicContact CG-SD 3.94Å; L297-M378 VanDerWaalsContact O-CE 3.25Å; L297-M378 WeakPolarHBondContact O-CE 3.43Å |
| 298 | L | 91.4 | Very high | 88.8 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 1.3 | -178.8 | -59.9 | 179.6 | 0 | 0 | 0 | 114.4 | L294 I296 G300 R301 L371 P374 L375 M378 | L294-L298 HydrophobicContact CD1-CD1 3.97Å; L294-L298 HydrophobicContact CD1-CG 4.15Å; L294-L298 HydrophobicContact CG-CD1 4.02Å; L294-L298 HydrophobicContact CG-CG 4.49Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 VanDerWaalsContact O-CG 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 2.71Å; I296-L298 VanDerWaalsContact C-N 3.35Å; I296-L298 PolarHBondContact O-N 3.44Å; L298-G300 PolarHBondContact O-N 2.97Å; L298-R301 WeakPolarHBondContact O-CB 3.37Å; L298-R301 PolarHBondContact O-N 3.3Å; L298-L371 HydrophobicContact CD1-CB 4.43Å; L298-L371 HydrophobicContact CD1-CD2 4.35Å; L298-L371 WeakPolarHBondContact CD1-O 3.43Å; L298-P374 HydrophobicContact CD1-CB 4.41Å; L298-P374 HydrophobicContact CD2-CB 4.17Å; L298-L375 HydrophobicContact CD1-CB 4.22Å; L298-L375 HydrophobicContact CD2-CB 3.96Å; L298-L375 HydrophobicContact CD2-CD1 4.12Å; L298-M378 HydrophobicContact CD2-CE 3.9Å |
| 299 | N | 90 | Very high | 89.3 | Confident | 138 Ų | 138 | 70.3 Ų | 70.3 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 130.3 | -173.5 | -172.1 | 16.7 | 0 | 0 | 0 | 112.2 | Q295 I296 L297 R301 | Q295-N299 PolarHBondContact O-N 3.14Å; Q295-N299 VanDerWaalsContact O-N 3.09Å; I296-N299 VanDerWaalsContact O-CB 3.27Å; I296-N299 WeakPolarHBondContact O-CB 3.25Å; I296-N299 PolarHBondContact O-N 2.9Å; L297-N299 VanDerWaalsContact C-N 3.31Å; L297-N299 PolarHBondContact O-N 3.13Å; N299-R301 VanDerWaalsContact C-N 3.28Å; N299-R301 PolarHBondContact O-N 2.85Å |
| 300 | G | 86.5 | Confident | 89.9 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 75% | 0.753 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 2.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L298 | L298-G300 PolarHBondContact O-N 2.97Š|
| 301 | R | 89.1 | Confident | 90.3 | Very high | 78 Ų | 78 | 71.1 Ų | 71.1 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | trans | -93.1 | 147.4 | 169 | -64.2 | -167.6 | 176.9 | -118.1 | 0.7 | 111.1 | L298 N299 P374 M378 E381 | L298-R301 WeakPolarHBondContact O-CB 3.37Å; L298-R301 PolarHBondContact O-N 3.3Å; N299-R301 VanDerWaalsContact C-N 3.28Å; N299-R301 PolarHBondContact O-N 2.85Å; R301-P374 HydrophobicContact CB-CB 4.01Å; R301-M378 VanDerWaalsContact NE-CE 3.31Å; R301-E381 IonicContact CZ-OE2 3.07Å; R301-E381 VanDerWaalsContact CZ-OE2 3.31Å; R301-E381 IonicContact NH1-OE2 3.08Å; R301-E381 PolarHBondContact NH1-OE2 2.68Å; R301-E381 IonicContact NH2-OE2 3.8Å; R301-E381 PolarHBondContact NH2-OE2 3.24Å | ||
| 302 | N | 88 | Confident | 90.5 | Very high | 118 Ų | 118 | 70 Ų | 70 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | trans | -107 | 173.4 | 177.5 | -64.5 | -18.1 | 0 | 0 | 0 | 110.4 | E304 | N302-E304 HydrophobicContact CB-CB 4.46Å; N302-E304 PolarHBondContact O-N 2.8Å | ||
| 303 | N | 88.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 66 Ų | 66 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -68 | 10.4 | 170.7 | -56.9 | -23.6 | 0 | 0 | 0 | 114 | Q370 Y373 Y377 | N303-Q370 PolarHBondContact ND2-NE2 3.46Å; N303-Q370 PolarHBondContact ND2-OE1 3.48Å; N303-Q370 PolarHBondContact OD1-O 3.07Å; N303-Y373 HydrophobicContact CB-CD2 4.24Å; N303-Y377 WeakPolarHBondContact O-CE2 3.14Å |
| 304 | E | 91.3 | Very high | 90.9 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -120.7 | 145.1 | -173.3 | -78.7 | -75.5 | 145.7 | 0 | 0 | 108.4 | N302 C306 R326 | N302-E304 HydrophobicContact CB-CB 4.46Å; N302-E304 PolarHBondContact O-N 2.8Å; E304-C306 PolarHBondContact O-N 3.36Å; E304-R326 IonicContact OE1-CZ 3.09Å; E304-R326 IonicContact OE1-NH1 2.99Å; E304-R326 PolarHBondContact OE1-NH1 3.38Å; E304-R326 IonicContact OE2-CZ 2.81Å; E304-R326 IonicContact OE2-NH1 3.55Å; E304-R326 PolarHBondContact OE2-NH1 2.91Å; E304-R326 IonicContact OE2-NH2 3.36Å; E304-R326 PolarHBondContact OE2-NH2 3.2Å |
| 305 | P | 90.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 8% | 0.078 | 37% | 0.369 | C | S | . | . | trans | -60 | 132.5 | 177.8 | 26.8 | -34.2 | 0 | 0 | 0 | 110.1 | L309 V310 L322 Y377 | P305-L309 HydrophobicContact CB-CD2 3.92Å; P305-L309 HydrophobicContact CB-CG 4.37Å; P305-V310 HydrophobicContact CB-CG2 3.99Å; P305-V310 HydrophobicContact CG-CG2 3.91Å; P305-L322 HydrophobicContact CG-CD2 4.3Å; P305-Y377 HydrophobicContact CB-CD1 3.91Å; P305-Y377 HydrophobicContact CB-CE1 3.93Å; P305-Y377 HydrophobicContact CB-CG 4.33Å; P305-Y377 HydrophobicContact CG-CE1 4.33Å | ||
| 306 | C | 91.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 64.1 Ų | 64.1 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | trans | -62.5 | 154 | 177.4 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | E304 S308 L309 V310 E381 | E304-C306 PolarHBondContact O-N 3.36Å; C306-S308 PolarHBondContact O-N 2.83Å; C306-L309 PolarHBondContact O-N 3.27Å; C306-L309 WeakPolarHBondContact SG-CB 3.38Å; C306-L309 PolarHBondContact SG-N 3.08Å; C306-L309 VanDerWaalsContact SG-N 3.41Å; C306-V310 PolarHBondContact O-N 3.15Å; C306-E381 VanDerWaalsContact SG-CD 3.55Å; C306-E381 PolarHBondContact SG-OE1 3.35Å; C306-E381 PolarHBondContact SG-OE2 2.7Å; C306-E381 VanDerWaalsContact SG-OE2 3.36Å | ||
| 307 | E | 91.8 | Very high | 90.6 | Very high | 150 Ų | 150 | 59.5 Ų | 59.5 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.2 | -35.2 | -178.6 | -160.1 | 175.8 | -146.5 | 0 | 0 | 112 | V310 H311 | E307-V310 PolarHBondContact O-N 3.19Å; E307-H311 WeakPolarHBondContact O-CB 3.48Å; E307-H311 PolarHBondContact O-CD2 3.42Å; E307-H311 PolarHBondContact O-N 3.24Å |
| 308 | S | 91.1 | Very high | 90.4 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.8 | -53.1 | 170.1 | 172.4 | 0 | 0 | 0 | 0 | 112.8 | C306 V310 H311 L312 E381 | C306-S308 PolarHBondContact O-N 2.83Å; S308-V310 PolarHBondContact O-N 3.25Å; S308-H311 PolarHBondContact O-N 2.63Å; S308-L312 WeakPolarHBondContact O-CB 3.44Å; S308-L312 PolarHBondContact O-N 2.99Å; S308-E381 WeakPolarHBondContact CB-OE1 3.48Å; S308-E381 PolarHBondContact OG-OE1 2.87Å |
| 309 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 178.2 | 176.9 | 59.3 | 0 | 0 | 0 | 112.1 | P305 C306 L312 I313 Y377 L380 E381 L384 | P305-L309 HydrophobicContact CB-CD2 3.92Å; P305-L309 HydrophobicContact CB-CG 4.37Å; C306-L309 PolarHBondContact O-N 3.27Å; C306-L309 WeakPolarHBondContact SG-CB 3.38Å; C306-L309 PolarHBondContact SG-N 3.08Å; C306-L309 VanDerWaalsContact SG-N 3.41Å; L309-L312 PolarHBondContact O-N 2.77Å; L309-I313 HydrophobicContact CD1-CD1 3.67Å; L309-I313 HydrophobicContact CD1-CG1 4Å; L309-I313 HydrophobicContact CG-CD1 3.89Å; L309-I313 WeakPolarHBondContact O-CB 3.46Å; L309-I313 WeakPolarHBondContact O-CG1 3.33Å; L309-I313 PolarHBondContact O-N 3.35Å; L309-Y377 HydrophobicContact CD2-CD1 3.78Å; L309-Y377 HydrophobicContact CD2-CG 4.35Å; L309-L380 HydrophobicContact CD1-CG 4.49Å; L309-L380 HydrophobicContact CD2-CD2 4.44Å; L309-E381 HydrophobicContact CB-CB 4.41Å; L309-E381 HydrophobicContact CB-CG 4.48Å; L309-E381 HydrophobicContact CD1-CB 4.16Å; L309-L384 HydrophobicContact CD1-CD1 3.93Å |
| 310 | V | 94.2 | Very high | 90 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | P305 C306 E307 S308 N314 L322 | P305-V310 HydrophobicContact CB-CG2 3.99Å; P305-V310 HydrophobicContact CG-CG2 3.91Å; C306-V310 PolarHBondContact O-N 3.15Å; E307-V310 PolarHBondContact O-N 3.19Å; S308-V310 PolarHBondContact O-N 3.25Å; V310-N314 WeakPolarHBondContact O-CB 3.47Å; V310-N314 PolarHBondContact O-N 3.03Å; V310-N314 PolarHBondContact O-ND2 3.45Å; V310-L322 HydrophobicContact CB-CD1 4.34Å; V310-L322 HydrophobicContact CG1-CD1 3.95Å; V310-L322 HydrophobicContact CG2-CD1 4.04Å |
| 311 | H | 93 | Very high | 90.2 | Very high | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 174.8 | -77.1 | -53.2 | 0 | 0 | 0 | 112.6 | E307 S308 N314 A315 | E307-H311 WeakPolarHBondContact O-CB 3.48Å; E307-H311 PolarHBondContact O-CD2 3.42Å; E307-H311 PolarHBondContact O-N 3.24Å; S308-H311 PolarHBondContact O-N 2.63Å; H311-N314 PolarHBondContact O-N 2.99Å; H311-A315 WeakPolarHBondContact O-CB 3.37Å; H311-A315 PolarHBondContact O-N 3.37Å |
| 312 | L | 92 | Very high | 90.4 | Very high | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -49.5 | 177.4 | -175.5 | 152.6 | 0 | 0 | 0 | 111 | S308 L309 A315 H316 L384 L385 I388 | S308-L312 WeakPolarHBondContact O-CB 3.44Å; S308-L312 PolarHBondContact O-N 2.99Å; L309-L312 PolarHBondContact O-N 2.77Å; L312-A315 PolarHBondContact O-N 3.45Å; L312-H316 WeakPolarHBondContact O-CB 3.44Å; L312-H316 PolarHBondContact O-CD2 3.28Å; L312-H316 PolarHBondContact O-N 2.95Å; L312-L384 HydrophobicContact CD2-CB 3.68Å; L312-L384 HydrophobicContact CD2-CD1 3.8Å; L312-L384 HydrophobicContact CD2-CG 4.37Å; L312-L385 HydrophobicContact CD1-CD2 3.53Å; L312-L385 HydrophobicContact CD1-CG 3.72Å; L312-I388 HydrophobicContact CD1-CD1 3.98Å; L312-I388 HydrophobicContact CD2-CD1 3.91Å; L312-I388 HydrophobicContact CG-CD1 3.89Å |
| 313 | I | 92.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 178.6 | -72.4 | 170.8 | 0 | 0 | 0 | 110.6 | L309 A315 H316 C317 P321 L322 L384 L421 | L309-I313 HydrophobicContact CD1-CD1 3.67Å; L309-I313 HydrophobicContact CD1-CG1 4Å; L309-I313 HydrophobicContact CG-CD1 3.89Å; L309-I313 WeakPolarHBondContact O-CB 3.46Å; L309-I313 WeakPolarHBondContact O-CG1 3.33Å; L309-I313 PolarHBondContact O-N 3.35Å; I313-A315 PolarHBondContact O-N 3.36Å; I313-H316 PolarHBondContact O-N 3.34Å; I313-C317 WeakPolarHBondContact O-CB 3.4Å; I313-C317 PolarHBondContact O-N 3.39Å; I313-P321 HydrophobicContact CG2-CG 3.92Å; I313-L322 HydrophobicContact CD1-CD2 3.67Å; I313-L322 HydrophobicContact CD1-CG 4.42Å; I313-L322 HydrophobicContact CG2-CG 4.22Å; I313-L384 HydrophobicContact CD1-CD1 4.49Å; I313-L384 HydrophobicContact CG1-CD1 4.13Å; I313-L421 HydrophobicContact CD1-CD1 4.29Å; I313-L421 HydrophobicContact CG1-CD1 3.94Å; I313-L421 HydrophobicContact CG2-CD1 4.29Å |
| 314 | N | 91.9 | Very high | 91 | Very high | 85 Ų | 85 | 54.9 Ų | 54.9 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.5 | -18.8 | 179.2 | -67.3 | -21.7 | 0 | 0 | 0 | 113.6 | V310 H311 S320 | V310-N314 WeakPolarHBondContact O-CB 3.47Å; V310-N314 PolarHBondContact O-N 3.03Å; V310-N314 PolarHBondContact O-ND2 3.45Å; H311-N314 PolarHBondContact O-N 2.99Å; N314-S320 WeakPolarHBondContact OD1-CB 3.33Å; N314-S320 PolarHBondContact OD1-OG 3.4Å |
| 315 | A | 90.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -86.4 | -18.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | H311 L312 I313 R414 | H311-A315 WeakPolarHBondContact O-CB 3.37Å; H311-A315 PolarHBondContact O-N 3.37Å; L312-A315 PolarHBondContact O-N 3.45Å; I313-A315 PolarHBondContact O-N 3.36Å; A315-R414 PolarHBondContact O-NH1 2.88Å |
| 316 | H | 89.2 | Confident | 91.4 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -126.8 | 2.6 | -170.9 | -73 | -82.3 | 0 | 0 | 0 | 114.6 | L312 I313 P415 D416 L417 | L312-H316 WeakPolarHBondContact O-CB 3.44Å; L312-H316 PolarHBondContact O-CD2 3.28Å; L312-H316 PolarHBondContact O-N 2.95Å; I313-H316 PolarHBondContact O-N 3.34Å; H316-P415 PolarHBondContact ND1-O 3.33Å; H316-D416 CarbonylContact O-C 3.6Å; H316-D416 WeakPolarHBondContact O-CA 3.36Å; H316-L417 HydrophobicContact CB-CD1 3.87Å; H316-L417 HydrophobicContact CB-CG 4.09Å; H316-L417 PolarHBondContact O-N 3.43Å |
| 317 | C | 87.8 | Confident | 91.6 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -125.4 | 141.4 | 173.2 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | I313 V319 T418 | I313-C317 WeakPolarHBondContact O-CB 3.4Å; I313-C317 PolarHBondContact O-N 3.39Å; C317-V319 WeakPolarHBondContact CB-O 3.31Å; C317-T418 WeakPolarHBondContact CA-OG1 3.32Å | ||
| 318 | S | 83.9 | Confident | 91.8 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73.6 | -34.3 | 178.8 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | T418 | S318-T418 PolarHBondContact N-OG1 2.91Å; S318-T418 VanDerWaalsContact N-OG1 3.08Å; S318-T418 PolarHBondContact OG-OG1 2.97Å |
| 319 | V | 85.6 | Confident | 92.1 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 66% | 0.655 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -124.1 | 135.1 | 172 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | C317 P321 | C317-V319 WeakPolarHBondContact CB-O 3.31Å; V319-P321 WeakPolarHBondContact O-CD 3.18Å |
| 320 | S | 88.2 | Confident | 92.3 | Very high | 46 Ų | 46 | 54 Ų | 54 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | trans | -75.1 | 114.2 | -177.5 | -163.9 | 0 | 0 | 0 | 0 | 110.8 | N314 L322 | N314-S320 WeakPolarHBondContact OD1-CB 3.33Å; N314-S320 PolarHBondContact OD1-OG 3.4Å; S320-L322 PolarHBondContact O-N 3.19Å | ||
| 321 | P | 90.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 56 Ų | 56 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 3 | -179.9 | 34.1 | -37.8 | 0 | 0 | 0 | 113.3 | I313 V319 S323 T324 I325 L421 | I313-P321 HydrophobicContact CG2-CG 3.92Å; V319-P321 WeakPolarHBondContact O-CD 3.18Å; P321-S323 VanDerWaalsContact C-N 3.33Å; P321-S323 PolarHBondContact O-N 3.35Å; P321-T324 PolarHBondContact O-N 3.35Å; P321-I325 HydrophobicContact CB-CD1 4.03Å; P321-I325 HydrophobicContact CB-CG1 4.41Å; P321-I325 HydrophobicContact CG-CD1 3.95Å; P321-I325 WeakPolarHBondContact O-CG1 3.27Å; P321-I325 PolarHBondContact O-N 3.12Å; P321-L421 HydrophobicContact CB-CB 4.08Å; P321-L421 HydrophobicContact CG-CB 3.65Å; P321-L421 HydrophobicContact CG-CD1 3.76Å; P321-L421 HydrophobicContact CG-CG 4.34Å |
| 322 | L | 92.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -36.1 | -170 | -75.5 | 173.8 | 0 | 0 | 0 | 114.1 | P305 V310 I313 S320 R326 | P305-L322 HydrophobicContact CG-CD2 4.3Å; V310-L322 HydrophobicContact CB-CD1 4.34Å; V310-L322 HydrophobicContact CG1-CD1 3.95Å; V310-L322 HydrophobicContact CG2-CD1 4.04Å; I313-L322 HydrophobicContact CD1-CD2 3.67Å; I313-L322 HydrophobicContact CD1-CG 4.42Å; I313-L322 HydrophobicContact CG2-CG 4.22Å; S320-L322 PolarHBondContact O-N 3.19Å; L322-R326 WeakPolarHBondContact O-CD 3.33Å; L322-R326 VanDerWaalsContact O-CG 3.23Å; L322-R326 WeakPolarHBondContact O-CG 3.24Å; L322-R326 PolarHBondContact O-N 3.36Å; L322-R326 VanDerWaalsContact O-N 3.09Å |
| 323 | S | 93.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 49.6 Ų | 49.6 | 56% | 0.559 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.9 | -49.9 | 175.6 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | P321 I325 R326 E327 | P321-S323 VanDerWaalsContact C-N 3.33Å; P321-S323 PolarHBondContact O-N 3.35Å; S323-I325 VanDerWaalsContact C-N 3.3Å; S323-I325 PolarHBondContact O-N 3.49Å; S323-R326 WeakPolarHBondContact O-CB 3.27Å; S323-R326 PolarHBondContact O-N 3.45Å; S323-R326 VanDerWaalsContact O-N 3.15Å; S323-E327 PolarHBondContact O-N 3.39Å |
| 324 | T | 94.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 177.6 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | P321 R328 | P321-T324 PolarHBondContact O-N 3.35Å; T324-R328 WeakPolarHBondContact O-CB 3.29Å; T324-R328 PolarHBondContact O-N 2.73Å |
| 325 | I | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 173.8 | -69.3 | 167.2 | 0 | 0 | 0 | 110.8 | P321 S323 L329 Y376 Y377 L421 | P321-I325 HydrophobicContact CB-CD1 4.03Å; P321-I325 HydrophobicContact CB-CG1 4.41Å; P321-I325 HydrophobicContact CG-CD1 3.95Å; P321-I325 WeakPolarHBondContact O-CG1 3.27Å; P321-I325 PolarHBondContact O-N 3.12Å; S323-I325 VanDerWaalsContact C-N 3.3Å; S323-I325 PolarHBondContact O-N 3.49Å; I325-L329 HydrophobicContact CG2-CD1 3.95Å; I325-L329 HydrophobicContact CG2-CG 4.41Å; I325-L329 WeakPolarHBondContact O-CB 3.49Å; I325-L329 WeakPolarHBondContact O-CG 3.49Å; I325-L329 PolarHBondContact O-N 3.41Å; I325-Y376 HydrophobicContact CG2-CE1 4.2Å; I325-Y376 WeakPolarHBondContact CG2-OH 3.09Å; I325-Y377 HydrophobicContact CG2-CE1 4.34Å; I325-L421 HydrophobicContact CD1-CD2 4.4Å |
| 326 | R | 95.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 50 Ų | 50 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -53.7 | 176.1 | -69.6 | 157.5 | -178.4 | -90.8 | -3.5 | 111.2 | E304 L322 S323 R328 L329 D330 | E304-R326 IonicContact OE1-CZ 3.09Å; E304-R326 IonicContact OE1-NH1 2.99Å; E304-R326 PolarHBondContact OE1-NH1 3.38Å; E304-R326 IonicContact OE2-CZ 2.81Å; E304-R326 IonicContact OE2-NH1 3.55Å; E304-R326 PolarHBondContact OE2-NH1 2.91Å; E304-R326 IonicContact OE2-NH2 3.36Å; E304-R326 PolarHBondContact OE2-NH2 3.2Å; L322-R326 WeakPolarHBondContact O-CD 3.33Å; L322-R326 VanDerWaalsContact O-CG 3.23Å; L322-R326 WeakPolarHBondContact O-CG 3.24Å; L322-R326 PolarHBondContact O-N 3.36Å; L322-R326 VanDerWaalsContact O-N 3.09Å; S323-R326 WeakPolarHBondContact O-CB 3.27Å; S323-R326 PolarHBondContact O-N 3.45Å; S323-R326 VanDerWaalsContact O-N 3.15Å; R326-R328 VanDerWaalsContact C-N 3.28Å; R326-R328 PolarHBondContact O-N 2.96Å; R326-L329 WeakPolarHBondContact O-CB 3.47Å; R326-L329 PolarHBondContact O-N 3.06Å; R326-D330 PolarHBondContact O-N 3.16Å |
| 327 | E | 96.6 | Very high | 93.6 | Very high | 137 Ų | 137 | 51 Ų | 51 | 64% | 0.64 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -54.7 | -43.3 | 179.1 | -177.9 | 179.9 | -169.1 | 0 | 0 | 112.3 | S323 N331 | S323-E327 PolarHBondContact O-N 3.39Å; E327-N331 VanDerWaalsContact O-CB 3.3Å; E327-N331 WeakPolarHBondContact O-CB 3.44Å; E327-N331 PolarHBondContact O-N 2.9Å |
| 328 | R | 96.1 | Very high | 93.7 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 174.9 | -179 | -175 | -73 | 140.1 | -8.4 | 112.5 | T324 R326 L332 A422 D424 H427 | T324-R328 WeakPolarHBondContact O-CB 3.29Å; T324-R328 PolarHBondContact O-N 2.73Å; R326-R328 VanDerWaalsContact C-N 3.28Å; R326-R328 PolarHBondContact O-N 2.96Å; R328-L332 HydrophobicContact CG-CD1 4.22Å; R328-L332 WeakPolarHBondContact O-CB 3.36Å; R328-L332 VanDerWaalsContact O-CG 3.3Å; R328-L332 WeakPolarHBondContact O-CG 3.39Å; R328-L332 PolarHBondContact O-N 3.05Å; R328-A422 PolarHBondContact NH2-O 2.97Å; R328-D424 IonicContact CZ-OD1 2.99Å; R328-D424 IonicContact NE-OD1 2.72Å; R328-D424 PolarHBondContact NE-OD1 3.47Å; R328-D424 IonicContact NH2-OD1 3.19Å; R328-D424 PolarHBondContact NH2-OD1 2.96Å; R328-H427 VanDerWaalsContact CD-CB 3.4Å; R328-H427 PolarHBondContact NH1-CD2 3.45Å |
| 329 | L | 97.2 | Very high | 94 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 178 | -72.8 | 171 | 0 | 0 | 0 | 112.1 | I325 R326 L332 G333 Y373 Y376 Y377 F431 | I325-L329 HydrophobicContact CG2-CD1 3.95Å; I325-L329 HydrophobicContact CG2-CG 4.41Å; I325-L329 WeakPolarHBondContact O-CB 3.49Å; I325-L329 WeakPolarHBondContact O-CG 3.49Å; I325-L329 PolarHBondContact O-N 3.41Å; R326-L329 WeakPolarHBondContact O-CB 3.47Å; R326-L329 PolarHBondContact O-N 3.06Å; L329-L332 PolarHBondContact O-N 3.41Å; L329-G333 PolarHBondContact O-N 3.28Å; L329-Y373 HydrophobicContact CB-CD1 4.44Å; L329-Y373 HydrophobicContact CB-CE1 4.06Å; L329-Y376 HydrophobicContact CD1-CD1 3.79Å; L329-Y376 HydrophobicContact CD1-CE1 3.53Å; L329-Y376 HydrophobicContact CD2-CD1 3.93Å; L329-Y376 HydrophobicContact CD2-CD2 4.1Å; L329-Y376 HydrophobicContact CD2-CE1 3.88Å; L329-Y376 HydrophobicContact CD2-CE2 3.99Å; L329-Y376 HydrophobicContact CD2-CG 4.06Å; L329-Y376 HydrophobicContact CG-CD1 4.49Å; L329-Y376 HydrophobicContact CG-CE1 4.18Å; L329-Y377 HydrophobicContact CD1-CE1 4.04Å; L329-Y377 HydrophobicContact CD1-CE2 4.25Å; L329-Y377 WeakPolarHBondContact CD1-OH 3.3Å; L329-F431 HydrophobicContact CD2-CB 4.25Å; L329-F431 HydrophobicContact CD2-CD2 3.44Å; L329-F431 VanDerWaalsContact CD2-CD2 3.44Å; L329-F431 HydrophobicContact CD2-CE2 4.1Å; L329-F431 HydrophobicContact CD2-CG 4.11Å |
| 330 | D | 96.3 | Very high | 94.2 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 175.7 | -69.5 | -36.6 | 0 | 0 | 0 | 110.2 | R326 L332 G333 E334 | R326-D330 PolarHBondContact O-N 3.16Å; D330-L332 VanDerWaalsContact C-N 3.34Å; D330-L332 PolarHBondContact O-N 3.39Å; D330-G333 PolarHBondContact O-N 3.22Å; D330-G333 VanDerWaalsContact O-N 3.16Å; D330-E334 WeakPolarHBondContact O-CG 3.35Å; D330-E334 PolarHBondContact O-N 3.03Å |
| 331 | N | 97 | Very high | 94.1 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 43% | 0.428 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -38.1 | 176.6 | -174.9 | -97.1 | 0 | 0 | 0 | 113.3 | E327 Q335 | E327-N331 VanDerWaalsContact O-CB 3.3Å; E327-N331 WeakPolarHBondContact O-CB 3.44Å; E327-N331 PolarHBondContact O-N 2.9Å; N331-Q335 WeakPolarHBondContact O-CG 3.37Å; N331-Q335 PolarHBondContact O-N 2.88Å; N331-Q335 VanDerWaalsContact O-N 3.16Å; N331-Q335 PolarHBondContact O-NE2 3.1Å; N331-Q335 PolarHBondContact OD1-NE2 2.91Å |
| 332 | L | 97.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71 | -38.8 | 173.5 | -73.6 | 168.5 | 0 | 0 | 0 | 112 | R328 L329 D330 Q335 F336 R428 F431 | R328-L332 HydrophobicContact CG-CD1 4.22Å; R328-L332 WeakPolarHBondContact O-CB 3.36Å; R328-L332 VanDerWaalsContact O-CG 3.3Å; R328-L332 WeakPolarHBondContact O-CG 3.39Å; R328-L332 PolarHBondContact O-N 3.05Å; L329-L332 PolarHBondContact O-N 3.41Å; D330-L332 VanDerWaalsContact C-N 3.34Å; D330-L332 PolarHBondContact O-N 3.39Å; L332-Q335 PolarHBondContact O-N 2.91Å; L332-F336 WeakPolarHBondContact O-CB 3.14Å; L332-F336 PolarHBondContact O-N 3.33Å; L332-R428 HydrophobicContact CD1-CG 4.24Å; L332-R428 HydrophobicContact CD2-CG 4.25Å; L332-F431 HydrophobicContact CB-CD1 3.81Å; L332-F431 HydrophobicContact CB-CE1 3.69Å; L332-F431 HydrophobicContact CB-CG 4.43Å; L332-F431 HydrophobicContact CB-CZ 4.19Å; L332-F431 HydrophobicContact CD1-CB 4.04Å; L332-F431 HydrophobicContact CD1-CD1 3.89Å; L332-F431 HydrophobicContact CD1-CG 4.01Å; L332-F431 HydrophobicContact CG-CD1 4.34Å |
| 333 | G | 96.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L329 D330 F336 Q337 | L329-G333 PolarHBondContact O-N 3.28Å; D330-G333 PolarHBondContact O-N 3.22Å; D330-G333 VanDerWaalsContact O-N 3.16Å; G333-F336 PolarHBondContact O-N 3.38Å; G333-Q337 WeakPolarHBondContact O-CG 3.21Å; G333-Q337 PolarHBondContact O-N 2.87Å |
| 334 | E | 95.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 57.8 Ų | 57.8 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 173.5 | -64.8 | -169.2 | 162 | 0 | 0 | 113 | D330 F336 Q337 R338 | D330-E334 WeakPolarHBondContact O-CG 3.35Å; D330-E334 PolarHBondContact O-N 3.03Å; E334-F336 VanDerWaalsContact C-N 3.3Å; E334-F336 PolarHBondContact O-N 3.44Å; E334-Q337 PolarHBondContact O-N 3.44Å; E334-R338 VanDerWaalsContact O-CG 3.32Å; E334-R338 WeakPolarHBondContact O-CG 3.28Å; E334-R338 PolarHBondContact O-N 3.18Å; E334-R338 IonicContact OE1-NH2 3.67Å; E334-R338 IonicContact OE2-CZ 3.74Å; E334-R338 VanDerWaalsContact OE2-CZ 3.23Å; E334-R338 IonicContact OE2-NH1 2.77Å; E334-R338 PolarHBondContact OE2-NH1 3.3Å; E334-R338 IonicContact OE2-NH2 3.99Å; E334-R338 PolarHBondContact OE2-NH2 3.28Å |
| 335 | Q | 95.1 | Very high | 87.7 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 173.8 | -80.7 | 166.8 | 87 | 0 | 0 | 110.4 | N331 L332 R338 A339 L456 | N331-Q335 WeakPolarHBondContact O-CG 3.37Å; N331-Q335 PolarHBondContact O-N 2.88Å; N331-Q335 VanDerWaalsContact O-N 3.16Å; N331-Q335 PolarHBondContact O-NE2 3.1Å; N331-Q335 PolarHBondContact OD1-NE2 2.91Å; L332-Q335 PolarHBondContact O-N 2.91Å; Q335-R338 PolarHBondContact O-N 3.15Å; Q335-A339 WeakPolarHBondContact O-CB 3.5Å; Q335-A339 PolarHBondContact O-N 3.33Å; Q335-L456 HydrophobicContact CB-CD2 3.57Å |
| 336 | F | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 176.5 | 174.5 | -102.1 | 0 | 0 | 0 | 111.7 | L332 G333 E334 R338 A339 Y340 A365 R368 L369 M435 M439 W451 I452 L456 | L332-F336 WeakPolarHBondContact O-CB 3.14Å; L332-F336 PolarHBondContact O-N 3.33Å; G333-F336 PolarHBondContact O-N 3.38Å; E334-F336 VanDerWaalsContact C-N 3.3Å; E334-F336 PolarHBondContact O-N 3.44Å; F336-R338 PolarHBondContact O-N 3.47Å; F336-A339 PolarHBondContact O-N 3.25Å; F336-Y340 HydrophobicContact CE1-CD2 4.28Å; F336-Y340 HydrophobicContact CE1-CG 4.37Å; F336-Y340 AromaticContact CE2-CD2 3.99Å; F336-Y340 HydrophobicContact CE2-CD2 3.99Å; F336-Y340 AromaticContact CZ-CD2 3.47Å; F336-Y340 HydrophobicContact CZ-CD2 3.47Å; F336-Y340 VanDerWaalsContact CZ-CD2 3.47Å; F336-Y340 HydrophobicContact CZ-CE2 4.26Å; F336-Y340 AromaticContact CZ-CG 3.94Å; F336-Y340 HydrophobicContact CZ-CG 3.94Å; F336-Y340 WeakPolarHBondContact O-CB 3.19Å; F336-Y340 PolarHBondContact O-N 2.79Å; F336-A365 HydrophobicContact CD1-CB 4.26Å; F336-A365 HydrophobicContact CE1-CB 3.78Å; F336-R368 HydrophobicContact CE1-CB 4.42Å; F336-L369 HydrophobicContact CD1-CD1 4.16Å; F336-L369 HydrophobicContact CD1-CD2 4.04Å; F336-L369 HydrophobicContact CD1-CG 3.97Å; F336-L369 HydrophobicContact CE1-CG 4.43Å; F336-M435 HydrophobicContact CD1-CE 4.14Å; F336-M435 HydrophobicContact CD1-SD 4.37Å; F336-M435 HydrophobicContact CD2-CE 4.23Å; F336-M435 HydrophobicContact CD2-CG 4.17Å; F336-M435 HydrophobicContact CD2-SD 4.38Å; F336-M435 HydrophobicContact CE1-CE 3.53Å; F336-M435 HydrophobicContact CE1-SD 4.33Å; F336-M435 HydrophobicContact CE2-CE 3.63Å; F336-M435 HydrophobicContact CE2-CG 4.19Å; F336-M435 HydrophobicContact CE2-SD 4.34Å; F336-M435 HydrophobicContact CG-CE 4.47Å; F336-M435 HydrophobicContact CG-SD 4.41Å; F336-M435 HydrophobicContact CZ-CE 3.25Å; F336-M435 HydrophobicContact CZ-SD 4.33Å; F336-M439 HydrophobicContact CE2-CE 4.45Å; F336-M439 HydrophobicContact CE2-SD 3.89Å; F336-M439 HydrophobicContact CZ-CE 4.46Å; F336-M439 HydrophobicContact CZ-SD 3.66Å; F336-W451 HydrophobicContact CD2-CH2 4.36Å; F336-W451 HydrophobicContact CD2-CZ3 4.41Å; F336-W451 HydrophobicContact CE2-CH2 4.02Å; F336-W451 AromaticContact CE2-CZ3 3.95Å; F336-W451 HydrophobicContact CE2-CZ3 3.95Å; F336-I452 HydrophobicContact CD2-CD1 4Å; F336-I452 HydrophobicContact CE2-CD1 4.11Å; F336-L456 HydrophobicContact CB-CD1 4.4Å; F336-L456 HydrophobicContact CB-CD2 4.02Å |
| 337 | Q | 93.7 | Very high | 82.1 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 178.2 | -74.9 | 174.8 | 17.9 | 0 | 0 | 112.2 | G333 E334 A341 A365 L369 | G333-Q337 WeakPolarHBondContact O-CG 3.21Å; G333-Q337 PolarHBondContact O-N 2.87Å; E334-Q337 PolarHBondContact O-N 3.44Å; Q337-A341 VanDerWaalsContact O-CB 3.26Å; Q337-A341 WeakPolarHBondContact O-CB 3.12Å; Q337-A341 PolarHBondContact O-N 2.77Å; Q337-A365 HydrophobicContact CB-CB 4.4Å; Q337-A365 HydrophobicContact CG-CB 3.92Å; Q337-L369 HydrophobicContact CG-CD1 3.71Å |
| 338 | R | 90.6 | Very high | 79.4 | Confident | 118 Ų | 118 | 67.4 Ų | 67.4 | 45% | 0.445 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 178 | -69.4 | 171.7 | -173.7 | 117.6 | 6.2 | 111.3 | E334 Q335 F336 G342 L343 | E334-R338 VanDerWaalsContact O-CG 3.32Å; E334-R338 WeakPolarHBondContact O-CG 3.28Å; E334-R338 PolarHBondContact O-N 3.18Å; E334-R338 IonicContact OE1-NH2 3.67Å; E334-R338 IonicContact OE2-CZ 3.74Å; E334-R338 VanDerWaalsContact OE2-CZ 3.23Å; E334-R338 IonicContact OE2-NH1 2.77Å; E334-R338 PolarHBondContact OE2-NH1 3.3Å; E334-R338 IonicContact OE2-NH2 3.99Å; E334-R338 PolarHBondContact OE2-NH2 3.28Å; Q335-R338 PolarHBondContact O-N 3.15Å; F336-R338 PolarHBondContact O-N 3.47Å; R338-G342 PolarHBondContact O-N 3.07Å; R338-L343 PolarHBondContact O-N 3.26Å |
| 339 | A | 90.4 | Very high | 76.6 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 28% | 0.281 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.6 | -47.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q335 F336 A341 G342 W451 A455 | Q335-A339 WeakPolarHBondContact O-CB 3.5Å; Q335-A339 PolarHBondContact O-N 3.33Å; F336-A339 PolarHBondContact O-N 3.25Å; A339-A341 PolarHBondContact O-N 3.13Å; A339-G342 PolarHBondContact O-N 2.91Å; A339-G342 VanDerWaalsContact O-N 3.07Å; A339-W451 HydrophobicContact CB-CH2 4.43Å; A339-W451 HydrophobicContact CB-CZ2 4.14Å; A339-A455 HydrophobicContact CB-CB 3.74Å |
| 340 | Y | 90 | Very high | 73.7 | Confident | 31 Ų | 31 | 74.1 Ų | 74.1 | 12% | 0.122 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | -179.6 | -176 | -79.4 | 0 | 0 | 0 | 112.2 | F336 G342 A361 A364 A365 R368 M439 D443 H447 W451 | F336-Y340 HydrophobicContact CE1-CD2 4.28Å; F336-Y340 HydrophobicContact CE1-CG 4.37Å; F336-Y340 AromaticContact CE2-CD2 3.99Å; F336-Y340 HydrophobicContact CE2-CD2 3.99Å; F336-Y340 AromaticContact CZ-CD2 3.47Å; F336-Y340 HydrophobicContact CZ-CD2 3.47Å; F336-Y340 VanDerWaalsContact CZ-CD2 3.47Å; F336-Y340 HydrophobicContact CZ-CE2 4.26Å; F336-Y340 AromaticContact CZ-CG 3.94Å; F336-Y340 HydrophobicContact CZ-CG 3.94Å; F336-Y340 WeakPolarHBondContact O-CB 3.19Å; F336-Y340 PolarHBondContact O-N 2.79Å; Y340-G342 PolarHBondContact O-N 2.89Å; Y340-A361 WeakPolarHBondContact CD1-O 3.27Å; Y340-A361 WeakPolarHBondContact CE1-O 3.46Å; Y340-A364 HydrophobicContact CE1-CB 3.89Å; Y340-A365 HydrophobicContact CD1-CB 3.75Å; Y340-A365 HydrophobicContact CE1-CB 4.42Å; Y340-A365 HydrophobicContact CG-CB 4.01Å; Y340-R368 PolarHBondContact OH-NE 3.28Å; Y340-R368 PolarHBondContact OH-NH2 3.35Å; Y340-M439 HydrophobicContact CD2-CE 3.97Å; Y340-M439 HydrophobicContact CD2-SD 4.42Å; Y340-M439 HydrophobicContact CE2-CE 3.78Å; Y340-M439 HydrophobicContact CE2-SD 4.26Å; Y340-D443 PolarHBondContact OH-OD1 3.1Å; Y340-H447 AromaticContact CD2-ND1 3.73Å; Y340-H447 AromaticContact CE2-CE1 3.92Å; Y340-H447 AromaticContact CE2-ND1 3.43Å; Y340-H447 WeakPolarHBondContact CE2-ND1 3.41Å; Y340-W451 HydrophobicContact CD2-CH2 4.37Å |
| 341 | A | 87 | Confident | 70.8 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q337 A339 L343 A361 I362 | Q337-A341 VanDerWaalsContact O-CB 3.26Å; Q337-A341 WeakPolarHBondContact O-CB 3.12Å; Q337-A341 PolarHBondContact O-N 2.77Å; A339-A341 PolarHBondContact O-N 3.13Å; A341-L343 VanDerWaalsContact C-N 3.26Å; A341-L343 HydrophobicContact CB-CD1 3.66Å; A341-L343 PolarHBondContact O-N 3.1Å; A341-A361 HydrophobicContact CB-CB 3.93Å; A341-I362 HydrophobicContact CB-CG1 3.86Å |
| 342 | G | 80.2 | Confident | 68 | Low | 55 Ų | 55 | 78.4 Ų | 78.4 | 57% | 0.567 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 16.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R338 A339 Y340 K344 | R338-G342 PolarHBondContact O-N 3.07Å; A339-G342 PolarHBondContact O-N 2.91Å; A339-G342 VanDerWaalsContact O-N 3.07Å; Y340-G342 PolarHBondContact O-N 2.89Å; G342-K344 PolarHBondContact O-N 2.77Å |
| 343 | L | 61.7 | Low | 64.9 | Low | 84 Ų | 84 | 85.1 Ų | 85.1 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | trans | -71.7 | 100 | 178.5 | -89.3 | 73.7 | 0 | 0 | 0 | 110 | R338 A341 | R338-L343 PolarHBondContact O-N 3.26Å; A341-L343 VanDerWaalsContact C-N 3.26Å; A341-L343 HydrophobicContact CB-CD1 3.66Å; A341-L343 PolarHBondContact O-N 3.1Å | ||
| 344 | K | 50.9 | Low | 62.5 | Low | 193 Ų | 193 | 88.9 Ų | 88.9 | 84% | 0.839 | 53% | 0.528 | S | S | * | . | trans | -69.5 | 143.3 | 165 | -66 | -176 | 179 | -178.8 | 0 | 109.7 | G342 V346 | G342-K344 PolarHBondContact O-N 2.77Å; K344-V346 PolarHBondContact O-N 3.44Å | ||
| 345 | S | 43.9 | Very low | 60.3 | Low | 111 Ų | 111 | 88.4 Ų | 88.4 | 78% | 0.776 | 54% | 0.535 | S | S | * | . | trans | -51.5 | 127.8 | 177.3 | -169.4 | 0 | 0 | 0 | 0 | 111 | N347 | S345-N347 PolarHBondContact O-N 3.31Š| ||
| 346 | V | 37.5 | Very low | 58.2 | Low | 128 Ų | 128 | 91.2 Ų | 91.2 | 78% | 0.776 | 56% | 0.555 | S | S | * | * | trans | -80.5 | 88.8 | -173.2 | -177 | 0 | 0 | 0 | 0 | 110 | K344 S348 | K344-V346 PolarHBondContact O-N 3.44Å; V346-S348 VanDerWaalsContact C-N 3.32Å; V346-S348 PolarHBondContact O-N 3.37Å; V346-S348 VanDerWaalsContact O-N 3.08Å | ||
| 347 | N | 35.9 | Very low | 56.3 | Low | 131 Ų | 131 | 95 Ų | 95 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | trans | -77.6 | 88 | 161.6 | -73.9 | 12.2 | 0 | 0 | 0 | 109 | S345 S349 | S345-N347 PolarHBondContact O-N 3.31Å; N347-S349 PolarHBondContact O-N 3.12Å; N347-S349 PolarHBondContact O-OG 3.15Å | ||
| 348 | S | 38.4 | Very low | 55.2 | Low | 121 Ų | 121 | 94.8 Ų | 94.8 | 85% | 0.846 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 31.9 | 58.6 | 152.8 | 47.6 | 0 | 0 | 0 | 0 | 117.5 | V346 | V346-S348 VanDerWaalsContact C-N 3.32Å; V346-S348 PolarHBondContact O-N 3.37Å; V346-S348 VanDerWaalsContact O-N 3.08Å |
| 349 | S | 38.2 | Very low | 54.7 | Low | 96 Ų | 96 | 94.2 Ų | 94.2 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | trans | -149.6 | 108.8 | 163.6 | 38.4 | 0 | 0 | 0 | 0 | 109.9 | N347 V351 | N347-S349 PolarHBondContact O-N 3.12Å; N347-S349 PolarHBondContact O-OG 3.15Å; S349-V351 PolarHBondContact O-N 3.49Å | ||
| 350 | G | 37.1 | Very low | 54.3 | Low | 81 Ų | 81 | 99 Ų | 99 | 84% | 0.835 | 61% | 0.605 | S | S | * | * | trans | -78.7 | 105.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 351 | V | 35.1 | Very low | 54 | Low | 124 Ų | 124 | 98.7 Ų | 98.7 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | trans | -130.2 | 101.3 | 163.5 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | S349 I353 | S349-V351 PolarHBondContact O-N 3.49Å; V351-I353 PolarHBondContact O-N 3.46Å | ||
| 352 | T | 36.7 | Very low | 54.1 | Low | 139 Ų | 139 | 100.5 Ų | 100.5 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | trans | -95.8 | 72.4 | -169.2 | -43.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 353 | I | 34.3 | Very low | 54.6 | Low | 141 Ų | 141 | 100.4 Ų | 100.4 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | trans | -136.8 | 104.5 | 173.2 | -53.6 | 179.9 | 0 | 0 | 0 | 110.2 | V351 | V351-I353 PolarHBondContact O-N 3.46Š| ||
| 354 | T | 44.8 | Very low | 55.9 | Low | 80 Ų | 80 | 97.3 Ų | 97.3 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | trans | 149.2 | 32.3 | 160.4 | 44 | 0 | 0 | 0 | 0 | 113.3 | T356 T357 N358 | T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 2.79Å; T354-T357 WeakPolarHBondContact CB-OG1 3.4Å; T354-T357 PolarHBondContact O-OG1 3.19Å; T354-T357 VanDerWaalsContact O-OG1 3.1Å; T354-N358 PolarHBondContact O-N 2.95Å; T354-N358 PolarHBondContact O-ND2 2.98Å; T354-N358 PolarHBondContact O-OD1 2.89Å | ||
| 355 | S | 50.4 | Low | 57.9 | Low | 81 Ų | 81 | 88.1 Ų | 88.1 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.2 | -36.2 | -176.6 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | N359 | S355-N359 VanDerWaalsContact O-CG 3.23Å; S355-N359 PolarHBondContact O-N 2.9Å; S355-N359 PolarHBondContact O-ND2 2.94Å |
| 356 | T | 51.1 | Low | 60.3 | Low | 104 Ų | 104 | 87.1 Ų | 87.1 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.5 | -43.7 | -175.8 | 46.5 | 0 | 0 | 0 | 0 | 113.7 | T354 N358 N359 L360 | T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 2.79Å; T356-N358 VanDerWaalsContact C-N 3.31Å; T356-N358 PolarHBondContact O-N 3.41Å; T356-N359 PolarHBondContact O-N 3.31Å; T356-L360 PolarHBondContact O-N 3.05Å |
| 357 | T | 54.9 | Low | 63 | Low | 79 Ų | 79 | 86.9 Ų | 86.9 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 175.9 | 43.7 | 0 | 0 | 0 | 0 | 111.5 | T354 L360 A361 | T354-T357 WeakPolarHBondContact CB-OG1 3.4Å; T354-T357 PolarHBondContact O-OG1 3.19Å; T354-T357 VanDerWaalsContact O-OG1 3.1Å; T357-L360 PolarHBondContact O-N 2.83Å; T357-A361 PolarHBondContact O-N 2.84Å; T357-A361 VanDerWaalsContact O-N 3.12Å |
| 358 | N | 69.7 | Low | 65.8 | Low | 49 Ų | 49 | 82 Ų | 82 | 26% | 0.262 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -39 | 179.6 | -62.1 | -3.8 | 0 | 0 | 0 | 111.2 | T354 T356 L360 A361 I362 | T354-N358 PolarHBondContact O-N 2.95Å; T354-N358 PolarHBondContact O-ND2 2.98Å; T354-N358 PolarHBondContact O-OD1 2.89Å; T356-N358 VanDerWaalsContact C-N 3.31Å; T356-N358 PolarHBondContact O-N 3.41Å; N358-L360 PolarHBondContact O-N 3.36Å; N358-A361 PolarHBondContact O-N 2.8Å; N358-I362 WeakPolarHBondContact O-CB 3.39Å; N358-I362 WeakPolarHBondContact O-CD1 3.41Å; N358-I362 WeakPolarHBondContact O-CG1 3.26Å; N358-I362 PolarHBondContact O-N 2.7Å |
| 359 | N | 79.7 | Confident | 68.5 | Low | 106 Ų | 106 | 76.3 Ų | 76.3 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 175.9 | -71.9 | -17.8 | 0 | 0 | 0 | 113 | S355 T356 S363 | S355-N359 VanDerWaalsContact O-CG 3.23Å; S355-N359 PolarHBondContact O-N 2.9Å; S355-N359 PolarHBondContact O-ND2 2.94Å; T356-N359 PolarHBondContact O-N 3.31Å; N359-S363 WeakPolarHBondContact O-CB 3.33Å; N359-S363 PolarHBondContact O-N 3.09Å |
| 360 | L | 83.8 | Confident | 71.2 | Confident | 134 Ų | 134 | 76.5 Ų | 76.5 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 175.3 | -73.5 | 171.2 | 0 | 0 | 0 | 111.7 | T356 T357 N358 S363 A364 | T356-L360 PolarHBondContact O-N 3.05Å; T357-L360 PolarHBondContact O-N 2.83Å; N358-L360 PolarHBondContact O-N 3.36Å; L360-S363 PolarHBondContact O-N 3.17Å; L360-A364 WeakPolarHBondContact O-CB 3.18Å; L360-A364 PolarHBondContact O-N 3.28Å |
| 361 | A | 83.8 | Confident | 74 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 21% | 0.207 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y340 A341 T357 N358 A364 A365 | Y340-A361 WeakPolarHBondContact CD1-O 3.27Å; Y340-A361 WeakPolarHBondContact CE1-O 3.46Å; A341-A361 HydrophobicContact CB-CB 3.93Å; T357-A361 PolarHBondContact O-N 2.84Å; T357-A361 VanDerWaalsContact O-N 3.12Å; N358-A361 PolarHBondContact O-N 2.8Å; A361-A364 PolarHBondContact O-N 2.97Å; A361-A365 WeakPolarHBondContact O-CB 3.22Å; A361-A365 PolarHBondContact O-N 3.29Å |
| 362 | I | 88.6 | Confident | 77 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.2 | -68.6 | 162.9 | 0 | 0 | 0 | 110.8 | A341 N358 A364 A365 Q366 | A341-I362 HydrophobicContact CB-CG1 3.86Å; N358-I362 WeakPolarHBondContact O-CB 3.39Å; N358-I362 WeakPolarHBondContact O-CD1 3.41Å; N358-I362 WeakPolarHBondContact O-CG1 3.26Å; N358-I362 PolarHBondContact O-N 2.7Å; I362-A364 VanDerWaalsContact C-N 3.34Å; I362-A364 PolarHBondContact O-N 3.08Å; I362-A365 PolarHBondContact O-N 2.87Å; I362-Q366 WeakPolarHBondContact O-CG 3.45Å; I362-Q366 PolarHBondContact O-N 2.88Å |
| 363 | S | 89.8 | Confident | 79.9 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 112 | N359 L360 Q366 Q367 | N359-S363 WeakPolarHBondContact O-CB 3.33Å; N359-S363 PolarHBondContact O-N 3.09Å; L360-S363 PolarHBondContact O-N 3.17Å; S363-Q366 PolarHBondContact O-N 3.27Å; S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 2.99Å |
| 364 | A | 90.3 | Very high | 82.9 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y340 L360 A361 I362 Q366 Q367 R368 | Y340-A364 HydrophobicContact CE1-CB 3.89Å; L360-A364 WeakPolarHBondContact O-CB 3.18Å; L360-A364 PolarHBondContact O-N 3.28Å; A361-A364 PolarHBondContact O-N 2.97Å; I362-A364 VanDerWaalsContact C-N 3.34Å; I362-A364 PolarHBondContact O-N 3.08Å; A364-Q366 VanDerWaalsContact C-N 3.34Å; A364-Q366 PolarHBondContact O-N 2.76Å; A364-Q367 PolarHBondContact O-N 3.02Å; A364-R368 VanDerWaalsContact C-NH1 3.35Å; A364-R368 VanDerWaalsContact O-CD 3.24Å; A364-R368 WeakPolarHBondContact O-CD 3.44Å; A364-R368 PolarHBondContact O-N 2.98Å; A364-R368 PolarHBondContact O-NH1 2.8Å |
| 365 | A | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F336 Q337 Y340 A361 I362 R368 L369 | F336-A365 HydrophobicContact CD1-CB 4.26Å; F336-A365 HydrophobicContact CE1-CB 3.78Å; Q337-A365 HydrophobicContact CB-CB 4.4Å; Q337-A365 HydrophobicContact CG-CB 3.92Å; Y340-A365 HydrophobicContact CD1-CB 3.75Å; Y340-A365 HydrophobicContact CE1-CB 4.42Å; Y340-A365 HydrophobicContact CG-CB 4.01Å; A361-A365 WeakPolarHBondContact O-CB 3.22Å; A361-A365 PolarHBondContact O-N 3.29Å; I362-A365 PolarHBondContact O-N 2.87Å; A365-R368 PolarHBondContact O-N 2.98Å; A365-L369 WeakPolarHBondContact O-CG 3.43Å; A365-L369 PolarHBondContact O-N 3.25Å |
| 366 | Q | 94 | Very high | 87.6 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.3 | -75.5 | 173.2 | -9.4 | 0 | 0 | 112 | I362 S363 A364 R368 L369 Q370 | I362-Q366 WeakPolarHBondContact O-CG 3.45Å; I362-Q366 PolarHBondContact O-N 2.88Å; S363-Q366 PolarHBondContact O-N 3.27Å; A364-Q366 VanDerWaalsContact C-N 3.34Å; A364-Q366 PolarHBondContact O-N 2.76Å; Q366-R368 PolarHBondContact O-N 3.28Å; Q366-L369 PolarHBondContact O-N 3.4Å; Q366-L369 VanDerWaalsContact O-N 3.13Å; Q366-Q370 WeakPolarHBondContact O-CG 3.33Å; Q366-Q370 PolarHBondContact O-N 3.04Å |
| 367 | Q | 92.8 | Very high | 89.8 | Confident | 122 Ų | 122 | 44.4 Ų | 44.4 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.2 | -37 | 176.7 | -73.3 | 175.4 | -7.3 | 0 | 0 | 112.9 | S363 A364 Q370 | S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 2.99Å; A364-Q367 PolarHBondContact O-N 3.02Å; Q367-Q370 WeakPolarHBondContact O-CB 3.39Å; Q367-Q370 PolarHBondContact O-N 3.13Å |
| 368 | R | 94.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.3 | -37.3 | 177.8 | -64.9 | 143.8 | 179.6 | 62.4 | 4.8 | 111.5 | F336 Y340 A364 A365 Q366 Q370 L371 C372 M435 V438 C442 D443 | F336-R368 HydrophobicContact CE1-CB 4.42Å; Y340-R368 PolarHBondContact OH-NE 3.28Å; Y340-R368 PolarHBondContact OH-NH2 3.35Å; A364-R368 VanDerWaalsContact C-NH1 3.35Å; A364-R368 VanDerWaalsContact O-CD 3.24Å; A364-R368 WeakPolarHBondContact O-CD 3.44Å; A364-R368 PolarHBondContact O-N 2.98Å; A364-R368 PolarHBondContact O-NH1 2.8Å; A365-R368 PolarHBondContact O-N 2.98Å; Q366-R368 PolarHBondContact O-N 3.28Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 3.41Å; R368-L371 PolarHBondContact O-N 3.23Å; R368-C372 PolarHBondContact O-N 2.97Å; R368-M435 HydrophobicContact CB-CE 3.54Å; R368-V438 HydrophobicContact CB-CG1 3.81Å; R368-V438 HydrophobicContact CG-CG1 4.16Å; R368-C442 HydrophobicContact CG-CB 4.17Å; R368-D443 WeakPolarHBondContact CD-OD2 3.42Å; R368-D443 IonicContact CZ-OD1 2.66Å; R368-D443 IonicContact CZ-OD2 2.81Å; R368-D443 VanDerWaalsContact NE-CG 3.32Å; R368-D443 IonicContact NE-OD1 3.56Å; R368-D443 PolarHBondContact NE-OD1 2.96Å; R368-D443 VanDerWaalsContact NE-OD1 3.17Å; R368-D443 IonicContact NE-OD2 3.56Å; R368-D443 PolarHBondContact NE-OD2 3.35Å; R368-D443 IonicContact NH2-OD1 2.77Å; R368-D443 PolarHBondContact NH2-OD1 2.95Å; R368-D443 IonicContact NH2-OD2 2.81Å; R368-D443 PolarHBondContact NH2-OD2 3.34Å |
| 369 | L | 96.6 | Very high | 93 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -34.1 | 173 | -69.4 | 167.2 | 0 | 0 | 0 | 113 | F336 Q337 A365 Q366 L371 C372 Y373 F431 M435 | F336-L369 HydrophobicContact CD1-CD1 4.16Å; F336-L369 HydrophobicContact CD1-CD2 4.04Å; F336-L369 HydrophobicContact CD1-CG 3.97Å; F336-L369 HydrophobicContact CE1-CG 4.43Å; Q337-L369 HydrophobicContact CG-CD1 3.71Å; A365-L369 WeakPolarHBondContact O-CG 3.43Å; A365-L369 PolarHBondContact O-N 3.25Å; Q366-L369 PolarHBondContact O-N 3.4Å; Q366-L369 VanDerWaalsContact O-N 3.13Å; L369-L371 PolarHBondContact O-N 3.34Å; L369-C372 PolarHBondContact O-N 2.96Å; L369-C372 VanDerWaalsContact O-N 3.16Å; L369-Y373 HydrophobicContact CB-CE2 4.08Å; L369-Y373 HydrophobicContact CD2-CE1 4.43Å; L369-Y373 VanDerWaalsContact O-CD2 3.31Å; L369-Y373 WeakPolarHBondContact O-CD2 3.44Å; L369-Y373 PolarHBondContact O-N 3.28Å; L369-F431 HydrophobicContact CD2-CE2 4.38Å; L369-F431 HydrophobicContact CD2-CZ 3.79Å; L369-M435 HydrophobicContact CD2-SD 4.19Å |
| 370 | Q | 95 | Very high | 93.7 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 47% | 0.472 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.7 | -23.7 | 171.7 | -59.4 | -58.1 | -71.2 | 0 | 0 | 113.1 | N303 Q366 Q367 R368 P374 | N303-Q370 PolarHBondContact ND2-NE2 3.46Å; N303-Q370 PolarHBondContact ND2-OE1 3.48Å; N303-Q370 PolarHBondContact OD1-O 3.07Å; Q366-Q370 WeakPolarHBondContact O-CG 3.33Å; Q366-Q370 PolarHBondContact O-N 3.04Å; Q367-Q370 WeakPolarHBondContact O-CB 3.39Å; Q367-Q370 PolarHBondContact O-N 3.13Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 3.41Å; Q370-P374 WeakPolarHBondContact O-CD 3.44Å; Q370-P374 VanDerWaalsContact O-CG 3.28Å; Q370-P374 WeakPolarHBondContact O-CG 3.45Å |
| 371 | L | 95.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 28 Ų | 28 | 16% | 0.157 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -92.5 | -32.9 | 173.3 | -60.9 | 172 | 0 | 0 | 0 | 111.8 | L291 Q295 L298 R368 L369 L375 V438 | L291-L371 HydrophobicContact CD1-CD1 3.58Å; Q295-L371 HydrophobicContact CG-CD2 4.32Å; L298-L371 HydrophobicContact CD1-CB 4.43Å; L298-L371 HydrophobicContact CD1-CD2 4.35Å; L298-L371 WeakPolarHBondContact CD1-O 3.43Å; R368-L371 PolarHBondContact O-N 3.23Å; L369-L371 PolarHBondContact O-N 3.34Å; L371-L375 WeakPolarHBondContact O-CB 3.39Å; L371-L375 PolarHBondContact O-N 3.27Å; L371-V438 HydrophobicContact CB-CG1 3.98Å; L371-V438 HydrophobicContact CB-CG2 3.87Å; L371-V438 HydrophobicContact CD1-CG1 4.16Å |
| 372 | C | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.2 | -43.2 | -177.7 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | R368 L369 L375 Y376 F431 M435 V438 | R368-C372 PolarHBondContact O-N 2.97Å; L369-C372 PolarHBondContact O-N 2.96Å; L369-C372 VanDerWaalsContact O-N 3.16Å; C372-L375 PolarHBondContact O-N 3.09Å; C372-Y376 VanDerWaalsContact O-CB 3.26Å; C372-Y376 WeakPolarHBondContact O-CB 3.43Å; C372-Y376 PolarHBondContact O-N 2.86Å; C372-F431 HydrophobicContact CB-CE2 4.5Å; C372-F431 VanDerWaalsContact SG-CE2 3.57Å; C372-M435 HydrophobicContact CB-SD 3.69Å; C372-M435 VanDerWaalsContact SG-SD 3.69Å; C372-V438 HydrophobicContact CB-CG2 4.23Å |
| 373 | Y | 97.6 | Very high | 95 | Very high | 27 Ų | 27 | 27 Ų | 27 | 11% | 0.106 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | -178.6 | -59.2 | -47.7 | 0 | 0 | 0 | 113.1 | N303 L329 L369 L375 Y376 Y377 F431 | N303-Y373 HydrophobicContact CB-CD2 4.24Å; L329-Y373 HydrophobicContact CB-CD1 4.44Å; L329-Y373 HydrophobicContact CB-CE1 4.06Å; L369-Y373 HydrophobicContact CB-CE2 4.08Å; L369-Y373 HydrophobicContact CD2-CE1 4.43Å; L369-Y373 VanDerWaalsContact O-CD2 3.31Å; L369-Y373 WeakPolarHBondContact O-CD2 3.44Å; L369-Y373 PolarHBondContact O-N 3.28Å; Y373-L375 VanDerWaalsContact C-N 3.33Å; Y373-L375 PolarHBondContact O-N 3.41Å; Y373-Y376 PolarHBondContact O-N 3.25Å; Y373-Y377 WeakPolarHBondContact O-CD2 3.1Å; Y373-Y377 PolarHBondContact O-N 3.5Å; Y373-F431 HydrophobicContact CD1-CE2 4.05Å; Y373-F431 AromaticContact CE1-CE2 3.81Å; Y373-F431 HydrophobicContact CE1-CE2 3.81Å; Y373-F431 HydrophobicContact CE1-CZ 4.48Å |
| 374 | P | 96.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 175.1 | -21.2 | 32.5 | 0 | 0 | 0 | 113.2 | L298 R301 Q370 M378 | L298-P374 HydrophobicContact CD1-CB 4.41Å; L298-P374 HydrophobicContact CD2-CB 4.17Å; R301-P374 HydrophobicContact CB-CB 4.01Å; Q370-P374 WeakPolarHBondContact O-CD 3.44Å; Q370-P374 VanDerWaalsContact O-CG 3.28Å; Q370-P374 WeakPolarHBondContact O-CG 3.45Å; P374-M378 WeakPolarHBondContact O-CB 3.43Å; P374-M378 PolarHBondContact O-N 2.99Å |
| 375 | L | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 177.4 | -177.3 | 63.1 | 0 | 0 | 0 | 111.9 | L294 L298 L371 C372 Y373 M378 A379 C434 I437 V438 L474 | L294-L375 HydrophobicContact CD1-CD1 4.04Å; L294-L375 HydrophobicContact CD1-CD2 4.16Å; L298-L375 HydrophobicContact CD1-CB 4.22Å; L298-L375 HydrophobicContact CD2-CB 3.96Å; L298-L375 HydrophobicContact CD2-CD1 4.12Å; L371-L375 WeakPolarHBondContact O-CB 3.39Å; L371-L375 PolarHBondContact O-N 3.27Å; C372-L375 PolarHBondContact O-N 3.09Å; Y373-L375 VanDerWaalsContact C-N 3.33Å; Y373-L375 PolarHBondContact O-N 3.41Å; L375-M378 PolarHBondContact O-N 3.41Å; L375-A379 WeakPolarHBondContact O-CB 3.41Å; L375-A379 PolarHBondContact O-N 3.43Å; L375-C434 HydrophobicContact CB-CB 4.5Å; L375-C434 HydrophobicContact CD2-CB 3.9Å; L375-C434 WeakPolarHBondContact CD2-O 3.29Å; L375-C434 HydrophobicContact CG-CB 4.05Å; L375-I437 HydrophobicContact CD2-CB 4.16Å; L375-I437 HydrophobicContact CD2-CG2 4Å; L375-V438 HydrophobicContact CD2-CG2 4.17Å; L375-L474 HydrophobicContact CD1-CD1 3.78Å |
| 376 | Y | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 175.5 | 165.4 | -86.4 | 0 | 0 | 0 | 111.7 | I325 L329 C372 Y373 M378 A379 L380 H427 L430 F431 | I325-Y376 HydrophobicContact CG2-CE1 4.2Å; I325-Y376 WeakPolarHBondContact CG2-OH 3.09Å; L329-Y376 HydrophobicContact CD1-CD1 3.79Å; L329-Y376 HydrophobicContact CD1-CE1 3.53Å; L329-Y376 HydrophobicContact CD2-CD1 3.93Å; L329-Y376 HydrophobicContact CD2-CD2 4.1Å; L329-Y376 HydrophobicContact CD2-CE1 3.88Å; L329-Y376 HydrophobicContact CD2-CE2 3.99Å; L329-Y376 HydrophobicContact CD2-CG 4.06Å; L329-Y376 HydrophobicContact CG-CD1 4.49Å; L329-Y376 HydrophobicContact CG-CE1 4.18Å; C372-Y376 VanDerWaalsContact O-CB 3.26Å; C372-Y376 WeakPolarHBondContact O-CB 3.43Å; C372-Y376 PolarHBondContact O-N 2.86Å; Y373-Y376 PolarHBondContact O-N 3.25Å; Y376-M378 PolarHBondContact O-N 3.02Å; Y376-A379 PolarHBondContact O-N 2.88Å; Y376-L380 HydrophobicContact CE1-CD2 4.1Å; Y376-L380 WeakPolarHBondContact O-CB 3.22Å; Y376-L380 PolarHBondContact O-N 3.22Å; Y376-H427 AromaticContact CZ-ND1 3.9Å; Y376-H427 PolarHBondContact OH-CE1 3.34Å; Y376-H427 PolarHBondContact OH-ND1 3.2Å; Y376-L430 HydrophobicContact CD2-CB 4.43Å; Y376-L430 HydrophobicContact CD2-CD2 4.08Å; Y376-L430 HydrophobicContact CD2-CG 3.91Å; Y376-L430 HydrophobicContact CE2-CB 4.22Å; Y376-L430 HydrophobicContact CE2-CD2 3.8Å; Y376-L430 HydrophobicContact CE2-CG 3.97Å; Y376-F431 HydrophobicContact CD2-CB 4.1Å; Y376-F431 HydrophobicContact CE2-CB 4.39Å |
| 377 | Y | 97.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 25 Ų | 25 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.1 | -34.9 | 179.5 | -73.9 | -56.6 | 0 | 0 | 0 | 112.4 | N303 P305 L309 I325 L329 Y373 E381 | N303-Y377 WeakPolarHBondContact O-CE2 3.14Å; P305-Y377 HydrophobicContact CB-CD1 3.91Å; P305-Y377 HydrophobicContact CB-CE1 3.93Å; P305-Y377 HydrophobicContact CB-CG 4.33Å; P305-Y377 HydrophobicContact CG-CE1 4.33Å; L309-Y377 HydrophobicContact CD2-CD1 3.78Å; L309-Y377 HydrophobicContact CD2-CG 4.35Å; I325-Y377 HydrophobicContact CG2-CE1 4.34Å; L329-Y377 HydrophobicContact CD1-CE1 4.04Å; L329-Y377 HydrophobicContact CD1-CE2 4.25Å; L329-Y377 WeakPolarHBondContact CD1-OH 3.3Å; Y373-Y377 WeakPolarHBondContact O-CD2 3.1Å; Y373-Y377 PolarHBondContact O-N 3.5Å; Y377-E381 WeakPolarHBondContact O-CB 3.27Å; Y377-E381 PolarHBondContact O-N 2.9Å |
| 378 | M | 95.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 170.9 | 179.7 | -169.4 | -69.6 | 0 | 0 | 111.9 | L297 L298 R301 P374 L375 Y376 L380 E381 N382 L474 | L297-M378 HydrophobicContact CD1-CE 4.05Å; L297-M378 HydrophobicContact CD1-SD 3.92Å; L297-M378 HydrophobicContact CD2-SD 4.29Å; L297-M378 HydrophobicContact CG-CE 3.95Å; L297-M378 HydrophobicContact CG-SD 3.94Å; L297-M378 VanDerWaalsContact O-CE 3.25Å; L297-M378 WeakPolarHBondContact O-CE 3.43Å; L298-M378 HydrophobicContact CD2-CE 3.9Å; R301-M378 VanDerWaalsContact NE-CE 3.31Å; P374-M378 WeakPolarHBondContact O-CB 3.43Å; P374-M378 PolarHBondContact O-N 2.99Å; L375-M378 PolarHBondContact O-N 3.41Å; Y376-M378 PolarHBondContact O-N 3.02Å; M378-L380 VanDerWaalsContact C-N 3.33Å; M378-L380 PolarHBondContact O-N 3.02Å; M378-E381 PolarHBondContact O-N 3.46Å; M378-N382 PolarHBondContact O-N 2.84Å; M378-L474 HydrophobicContact CG-CD2 3.95Å; M378-L474 HydrophobicContact SD-CD2 3.76Å |
| 379 | A | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | L375 Y376 E381 N382 I383 L430 L470 L474 | L375-A379 WeakPolarHBondContact O-CB 3.41Å; L375-A379 PolarHBondContact O-N 3.43Å; Y376-A379 PolarHBondContact O-N 2.88Å; A379-E381 PolarHBondContact O-N 2.85Å; A379-N382 PolarHBondContact O-N 3.17Å; A379-I383 WeakPolarHBondContact O-CB 3.27Å; A379-I383 WeakPolarHBondContact O-CD1 3.36Å; A379-I383 WeakPolarHBondContact O-CG1 3.46Å; A379-I383 PolarHBondContact O-N 3.05Å; A379-L430 HydrophobicContact CB-CD1 4.02Å; A379-L470 HydrophobicContact CB-CD1 3.44Å; A379-L470 VanDerWaalsContact CB-CD1 3.44Å; A379-L474 HydrophobicContact CB-CD1 4.27Å; A379-L474 HydrophobicContact CB-CD2 4.37Å; A379-L474 HydrophobicContact CB-CG 4.45Å |
| 380 | L | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.5 | -174.7 | 62 | 0 | 0 | 0 | 111.9 | L309 Y376 M378 N382 I383 L384 L421 F426 L430 | L309-L380 HydrophobicContact CD1-CG 4.49Å; L309-L380 HydrophobicContact CD2-CD2 4.44Å; Y376-L380 HydrophobicContact CE1-CD2 4.1Å; Y376-L380 WeakPolarHBondContact O-CB 3.22Å; Y376-L380 PolarHBondContact O-N 3.22Å; M378-L380 VanDerWaalsContact C-N 3.33Å; M378-L380 PolarHBondContact O-N 3.02Å; L380-N382 PolarHBondContact O-N 2.97Å; L380-I383 PolarHBondContact O-N 3.24Å; L380-L384 HydrophobicContact CD1-CD1 4.01Å; L380-L384 HydrophobicContact CD1-CD2 4.48Å; L380-L384 HydrophobicContact CD1-CG 4.1Å; L380-L384 HydrophobicContact CG-CD1 3.92Å; L380-L384 HydrophobicContact CG-CG 4.4Å; L380-L384 WeakPolarHBondContact O-CB 3.47Å; L380-L384 WeakPolarHBondContact O-CG 3.36Å; L380-L384 PolarHBondContact O-N 3.45Å; L380-L421 HydrophobicContact CD1-CD2 3.95Å; L380-F426 HydrophobicContact CD1-CE1 3.9Å; L380-F426 HydrophobicContact CD1-CZ 4.12Å; L380-L430 HydrophobicContact CB-CD2 4.19Å; L380-L430 HydrophobicContact CD1-CD2 4.18Å |
| 381 | E | 94.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 7% | 0.065 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56 | -49.7 | 175.5 | -177.5 | 176.6 | -153.3 | 0 | 0 | 111.9 | R301 C306 S308 L309 Y377 M378 A379 L384 L385 | R301-E381 IonicContact CZ-OE2 3.07Å; R301-E381 VanDerWaalsContact CZ-OE2 3.31Å; R301-E381 IonicContact NH1-OE2 3.08Å; R301-E381 PolarHBondContact NH1-OE2 2.68Å; R301-E381 IonicContact NH2-OE2 3.8Å; R301-E381 PolarHBondContact NH2-OE2 3.24Å; C306-E381 VanDerWaalsContact SG-CD 3.55Å; C306-E381 PolarHBondContact SG-OE1 3.35Å; C306-E381 PolarHBondContact SG-OE2 2.7Å; C306-E381 VanDerWaalsContact SG-OE2 3.36Å; S308-E381 WeakPolarHBondContact CB-OE1 3.48Å; S308-E381 PolarHBondContact OG-OE1 2.87Å; L309-E381 HydrophobicContact CB-CB 4.41Å; L309-E381 HydrophobicContact CB-CG 4.48Å; L309-E381 HydrophobicContact CD1-CB 4.16Å; Y377-E381 WeakPolarHBondContact O-CB 3.27Å; Y377-E381 PolarHBondContact O-N 2.9Å; M378-E381 PolarHBondContact O-N 3.46Å; A379-E381 PolarHBondContact O-N 2.85Å; E381-L384 PolarHBondContact O-N 2.73Å; E381-L385 HydrophobicContact CG-CD1 4.16Å; E381-L385 WeakPolarHBondContact O-CB 3.27Å; E381-L385 VanDerWaalsContact O-CG 3.29Å; E381-L385 WeakPolarHBondContact O-CG 3.48Å; E381-L385 PolarHBondContact O-N 3.42Å |
| 382 | N | 94.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 26.7 Ų | 26.7 | 25% | 0.246 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67 | -41.6 | -178.8 | -67.8 | -5.2 | 0 | 0 | 0 | 112.2 | M378 A379 L380 L385 D386 S473 | M378-N382 PolarHBondContact O-N 2.84Å; A379-N382 PolarHBondContact O-N 3.17Å; L380-N382 PolarHBondContact O-N 2.97Å; N382-L385 PolarHBondContact O-N 3.17Å; N382-D386 PolarHBondContact O-N 3.24Å; N382-S473 WeakPolarHBondContact CB-O 3.42Å; N382-S473 PolarHBondContact ND2-O 2.92Å |
| 383 | I | 93.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.8 | -69.3 | 168.8 | 0 | 0 | 0 | 111.3 | A379 L380 D386 E387 F426 L430 V469 | A379-I383 WeakPolarHBondContact O-CB 3.27Å; A379-I383 WeakPolarHBondContact O-CD1 3.36Å; A379-I383 WeakPolarHBondContact O-CG1 3.46Å; A379-I383 PolarHBondContact O-N 3.05Å; L380-I383 PolarHBondContact O-N 3.24Å; I383-D386 PolarHBondContact O-N 2.98Å; I383-E387 PolarHBondContact O-N 3.31Å; I383-F426 HydrophobicContact CG2-CZ 4.34Å; I383-L430 HydrophobicContact CD1-CD1 3.76Å; I383-L430 HydrophobicContact CD1-CD2 4.28Å; I383-V469 HydrophobicContact CD1-CG1 3.87Å; I383-V469 HydrophobicContact CG1-CG1 3.87Å; I383-V469 HydrophobicContact CG2-CG1 4.11Å |
| 384 | L | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 177.4 | -62.6 | 171.3 | 0 | 0 | 0 | 111.5 | L309 L312 I313 L380 E381 D386 E387 I388 L417 L420 L421 | L309-L384 HydrophobicContact CD1-CD1 3.93Å; L312-L384 HydrophobicContact CD2-CB 3.68Å; L312-L384 HydrophobicContact CD2-CD1 3.8Å; L312-L384 HydrophobicContact CD2-CG 4.37Å; I313-L384 HydrophobicContact CD1-CD1 4.49Å; I313-L384 HydrophobicContact CG1-CD1 4.13Å; L380-L384 HydrophobicContact CD1-CD1 4.01Å; L380-L384 HydrophobicContact CD1-CD2 4.48Å; L380-L384 HydrophobicContact CD1-CG 4.1Å; L380-L384 HydrophobicContact CG-CD1 3.92Å; L380-L384 HydrophobicContact CG-CG 4.4Å; L380-L384 WeakPolarHBondContact O-CB 3.47Å; L380-L384 WeakPolarHBondContact O-CG 3.36Å; L380-L384 PolarHBondContact O-N 3.45Å; E381-L384 PolarHBondContact O-N 2.73Å; L384-D386 VanDerWaalsContact C-N 3.32Å; L384-D386 PolarHBondContact O-N 3.08Å; L384-E387 PolarHBondContact O-N 3.06Å; L384-I388 WeakPolarHBondContact O-CB 3.34Å; L384-I388 WeakPolarHBondContact O-CD1 3.03Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.23Å; L384-I388 PolarHBondContact O-N 3.46Å; L384-L417 HydrophobicContact CB-CD1 4.46Å; L384-L417 HydrophobicContact CD2-CD1 3.96Å; L384-L420 HydrophobicContact CD2-CD2 3.61Å; L384-L420 HydrophobicContact CD2-CG 4.49Å; L384-L421 HydrophobicContact CD1-CD1 4.32Å; L384-L421 HydrophobicContact CD1-CD2 4.29Å; L384-L421 HydrophobicContact CD2-CD2 4.04Å; L384-L421 HydrophobicContact CD2-CG 4.43Å |
| 385 | L | 92.1 | Very high | 89.3 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 36% | 0.356 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.4 | -35.5 | 173.1 | -76.4 | 170.4 | 0 | 0 | 0 | 112.8 | L312 E381 N382 R389 | L312-L385 HydrophobicContact CD1-CD2 3.53Å; L312-L385 HydrophobicContact CD1-CG 3.72Å; E381-L385 HydrophobicContact CG-CD1 4.16Å; E381-L385 WeakPolarHBondContact O-CB 3.27Å; E381-L385 VanDerWaalsContact O-CG 3.29Å; E381-L385 WeakPolarHBondContact O-CG 3.48Å; E381-L385 PolarHBondContact O-N 3.42Å; N382-L385 PolarHBondContact O-N 3.17Å; L385-R389 WeakPolarHBondContact O-CG 3.47Å; L385-R389 PolarHBondContact O-N 3.06Å; L385-R389 PolarHBondContact O-NE 3.14Å; L385-R389 PolarHBondContact O-NH2 3.25Å |
| 386 | D | 88.6 | Confident | 88.1 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -49.5 | 171.8 | -74.8 | -36.6 | 0 | 0 | 0 | 111.4 | N382 I383 L384 I388 R389 R390 R472 | N382-D386 PolarHBondContact O-N 3.24Å; I383-D386 PolarHBondContact O-N 2.98Å; L384-D386 VanDerWaalsContact C-N 3.32Å; L384-D386 PolarHBondContact O-N 3.08Å; D386-I388 PolarHBondContact O-N 3.29Å; D386-R389 PolarHBondContact O-N 3.24Å; D386-R389 IonicContact OD1-CZ 3.95Å; D386-R389 VanDerWaalsContact OD1-CZ 3.3Å; D386-R389 IonicContact OD1-NH1 3.53Å; D386-R389 PolarHBondContact OD1-NH1 3.01Å; D386-R389 IonicContact OD1-NH2 3.52Å; D386-R389 PolarHBondContact OD1-NH2 2.84Å; D386-R390 WeakPolarHBondContact O-CB 3.5Å; D386-R390 PolarHBondContact O-N 2.79Å; D386-R472 IonicContact OD1-NH1 2.74Å; D386-R472 IonicContact OD2-CZ 3.94Å; D386-R472 IonicContact OD2-NH1 2.95Å; D386-R472 PolarHBondContact OD2-NH1 3.39Å; D386-R472 IonicContact OD2-NH2 2.93Å; D386-R472 PolarHBondContact OD2-NH2 3.47Å |
| 387 | E | 86.6 | Confident | 86.3 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | -176 | -169.7 | 61.1 | -161.6 | 0 | 0 | 112.3 | I383 L384 R390 I391 A620 L623 | I383-E387 PolarHBondContact O-N 3.31Å; L384-E387 PolarHBondContact O-N 3.06Å; E387-R390 WeakPolarHBondContact O-CB 3.07Å; E387-R390 PolarHBondContact O-N 2.9Å; E387-R390 VanDerWaalsContact O-N 3.14Å; E387-R390 IonicContact OE1-CZ 2.79Å; E387-R390 IonicContact OE1-NE 2.82Å; E387-R390 PolarHBondContact OE1-NE 3.42Å; E387-R390 IonicContact OE1-NH2 3.5Å; E387-R390 PolarHBondContact OE1-NH2 3.06Å; E387-R390 WeakPolarHBondContact OE2-CD 3.28Å; E387-R390 IonicContact OE2-CZ 3.48Å; E387-R390 IonicContact OE2-NE 3.83Å; E387-R390 PolarHBondContact OE2-NE 2.99Å; E387-I391 HydrophobicContact CG-CD1 3.88Å; E387-I391 HydrophobicContact CG-CG1 4.29Å; E387-I391 WeakPolarHBondContact O-CG1 3.3Å; E387-I391 PolarHBondContact O-N 3.28Å; E387-A620 WeakPolarHBondContact OE1-CB 3.47Å; E387-L623 HydrophobicContact CB-CD1 4.45Å; E387-L623 HydrophobicContact CG-CD1 3.64Å |
| 388 | I | 88.5 | Confident | 84.4 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -52.3 | 171.1 | -70.8 | 163.2 | 0 | 0 | 0 | 110.2 | L312 L384 D386 R390 I391 E392 P415 L417 | L312-I388 HydrophobicContact CD1-CD1 3.98Å; L312-I388 HydrophobicContact CD2-CD1 3.91Å; L312-I388 HydrophobicContact CG-CD1 3.89Å; L384-I388 WeakPolarHBondContact O-CB 3.34Å; L384-I388 WeakPolarHBondContact O-CD1 3.03Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.23Å; L384-I388 PolarHBondContact O-N 3.46Å; D386-I388 PolarHBondContact O-N 3.29Å; I388-R390 PolarHBondContact O-N 2.63Å; I388-I391 PolarHBondContact O-N 3.28Å; I388-E392 HydrophobicContact CG2-CG 4.36Å; I388-E392 WeakPolarHBondContact O-CB 3.39Å; I388-E392 WeakPolarHBondContact O-CG 3.27Å; I388-E392 PolarHBondContact O-N 3.49Å; I388-P415 HydrophobicContact CG2-CG 4.45Å; I388-L417 HydrophobicContact CD1-CD1 3.98Å; I388-L417 HydrophobicContact CG1-CD1 3.82Å |
| 389 | R | 87.1 | Confident | 82.4 | Confident | 144 Ų | 144 | 56.1 Ų | 56.1 | 54% | 0.543 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.6 | -35.4 | 177 | -79.4 | 178.5 | -77.9 | 149.2 | -4.2 | 111.9 | L385 D386 K393 | L385-R389 WeakPolarHBondContact O-CG 3.47Å; L385-R389 PolarHBondContact O-N 3.06Å; L385-R389 PolarHBondContact O-NE 3.14Å; L385-R389 PolarHBondContact O-NH2 3.25Å; D386-R389 PolarHBondContact O-N 3.24Å; D386-R389 IonicContact OD1-CZ 3.95Å; D386-R389 VanDerWaalsContact OD1-CZ 3.3Å; D386-R389 IonicContact OD1-NH1 3.53Å; D386-R389 PolarHBondContact OD1-NH1 3.01Å; D386-R389 IonicContact OD1-NH2 3.52Å; D386-R389 PolarHBondContact OD1-NH2 2.84Å; R389-K393 WeakPolarHBondContact O-CB 3.34Å; R389-K393 PolarHBondContact O-N 2.79Å |
| 390 | R | 83.2 | Confident | 80.3 | Confident | 22 Ų | 22 | 60 Ų | 60 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 178.7 | -143.4 | -179.1 | 79 | 84.9 | 5.2 | 112.6 | D386 E387 I388 K393 R394 D613 | D386-R390 WeakPolarHBondContact O-CB 3.5Å; D386-R390 PolarHBondContact O-N 2.79Å; E387-R390 WeakPolarHBondContact O-CB 3.07Å; E387-R390 PolarHBondContact O-N 2.9Å; E387-R390 VanDerWaalsContact O-N 3.14Å; E387-R390 IonicContact OE1-CZ 2.79Å; E387-R390 IonicContact OE1-NE 2.82Å; E387-R390 PolarHBondContact OE1-NE 3.42Å; E387-R390 IonicContact OE1-NH2 3.5Å; E387-R390 PolarHBondContact OE1-NH2 3.06Å; E387-R390 WeakPolarHBondContact OE2-CD 3.28Å; E387-R390 IonicContact OE2-CZ 3.48Å; E387-R390 IonicContact OE2-NE 3.83Å; E387-R390 PolarHBondContact OE2-NE 2.99Å; I388-R390 PolarHBondContact O-N 2.63Å; R390-K393 PolarHBondContact O-N 3.36Å; R390-R394 WeakPolarHBondContact O-CG 3.24Å; R390-R394 PolarHBondContact O-N 2.79Å; R390-R394 VanDerWaalsContact O-N 3.09Å; R390-D613 WeakPolarHBondContact CD-OD1 3.5Å; R390-D613 IonicContact CZ-OD1 2.75Å; R390-D613 IonicContact NH1-OD1 2.89Å; R390-D613 PolarHBondContact NH1-OD1 3.09Å; R390-D613 IonicContact NH1-OD2 3.79Å |
| 391 | I | 80.8 | Confident | 78.3 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | 176.9 | -64.4 | 166.9 | 0 | 0 | 0 | 110.3 | E387 I388 K393 R394 L395 P415 L417 | E387-I391 HydrophobicContact CG-CD1 3.88Å; E387-I391 HydrophobicContact CG-CG1 4.29Å; E387-I391 WeakPolarHBondContact O-CG1 3.3Å; E387-I391 PolarHBondContact O-N 3.28Å; I388-I391 PolarHBondContact O-N 3.28Å; I391-K393 PolarHBondContact O-N 2.98Å; I391-R394 WeakPolarHBondContact O-CB 3.34Å; I391-R394 PolarHBondContact O-N 2.94Å; I391-R394 VanDerWaalsContact O-N 3.14Å; I391-L395 HydrophobicContact CG2-CD1 3.67Å; I391-L395 VanDerWaalsContact O-CD1 3.24Å; I391-L395 WeakPolarHBondContact O-CD1 3.25Å; I391-L395 PolarHBondContact O-N 3.13Å; I391-P415 HydrophobicContact CB-CB 4.14Å; I391-P415 HydrophobicContact CB-CG 4.07Å; I391-P415 HydrophobicContact CD1-CB 4.01Å; I391-P415 HydrophobicContact CG2-CB 3.83Å; I391-P415 HydrophobicContact CG2-CG 3.78Å; I391-L417 HydrophobicContact CD1-CD2 4.05Å |
| 392 | E | 84.1 | Confident | 75.9 | Confident | 101 Ų | 101 | 71.2 Ų | 71.2 | 47% | 0.472 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.2 | -72.2 | -175.2 | 149.7 | 0 | 0 | 112.2 | I388 R394 L395 T396 P415 | I388-E392 HydrophobicContact CG2-CG 4.36Å; I388-E392 WeakPolarHBondContact O-CB 3.39Å; I388-E392 WeakPolarHBondContact O-CG 3.27Å; I388-E392 PolarHBondContact O-N 3.49Å; E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 2.99Å; E392-L395 PolarHBondContact O-N 3.25Å; E392-T396 WeakPolarHBondContact O-CG2 3.14Å; E392-T396 PolarHBondContact O-N 3.15Å; E392-T396 PolarHBondContact O-OG1 3.27Å; E392-P415 HydrophobicContact CG-CG 4.14Å |
| 393 | K | 81.1 | Confident | 73.4 | Confident | 143 Ų | 143 | 74.6 Ų | 74.6 | 62% | 0.622 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.1 | -42.4 | 173.5 | -171.3 | -178.7 | 179.6 | -172 | 0 | 111.2 | R389 R390 I391 T396 T397 | R389-K393 WeakPolarHBondContact O-CB 3.34Å; R389-K393 PolarHBondContact O-N 2.79Å; R390-K393 PolarHBondContact O-N 3.36Å; I391-K393 PolarHBondContact O-N 2.98Å; K393-T396 PolarHBondContact O-N 3.42Å; K393-T396 PolarHBondContact O-OG1 2.82Å; K393-T397 PolarHBondContact O-N 2.92Å; K393-T397 VanDerWaalsContact O-N 3.13Å; K393-T397 PolarHBondContact O-OG1 2.9Å |
| 394 | R | 76.2 | Confident | 70.8 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 41% | 0.411 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 176 | -72.8 | 171 | 166.3 | -143.1 | -15 | 113.1 | R390 I391 E392 T396 T397 T398 | R390-R394 WeakPolarHBondContact O-CG 3.24Å; R390-R394 PolarHBondContact O-N 2.79Å; R390-R394 VanDerWaalsContact O-N 3.09Å; I391-R394 WeakPolarHBondContact O-CB 3.34Å; I391-R394 PolarHBondContact O-N 2.94Å; I391-R394 VanDerWaalsContact O-N 3.14Å; E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 2.99Å; R394-T396 VanDerWaalsContact C-N 3.3Å; R394-T396 PolarHBondContact O-N 2.97Å; R394-T397 PolarHBondContact O-N 3.14Å; R394-T397 PolarHBondContact O-OG1 3.17Å; R394-T398 PolarHBondContact O-N 3.37Å; R394-T398 VanDerWaalsContact O-N 3.17Å; R394-T398 PolarHBondContact O-OG1 3.29Å |
| 395 | L | 72.6 | Confident | 68.2 | Low | 69 Ų | 69 | 85.8 Ų | 85.8 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 177.6 | -91.6 | 86.5 | 0 | 0 | 0 | 112.8 | I391 E392 T398 T399 | I391-L395 HydrophobicContact CG2-CD1 3.67Å; I391-L395 VanDerWaalsContact O-CD1 3.24Å; I391-L395 WeakPolarHBondContact O-CD1 3.25Å; I391-L395 PolarHBondContact O-N 3.13Å; E392-L395 PolarHBondContact O-N 3.25Å; L395-T398 PolarHBondContact O-OG1 2.81Å; L395-T399 PolarHBondContact O-N 3.09Å; L395-T399 PolarHBondContact O-OG1 3.43Å |
| 396 | T | 71 | Confident | 65.9 | Low | 92 Ų | 92 | 89.8 Ų | 89.8 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.3 | -33.1 | 178.1 | 53.3 | 0 | 0 | 0 | 0 | 113 | E392 K393 R394 T399 | E392-T396 WeakPolarHBondContact O-CG2 3.14Å; E392-T396 PolarHBondContact O-N 3.15Å; E392-T396 PolarHBondContact O-OG1 3.27Å; K393-T396 PolarHBondContact O-N 3.42Å; K393-T396 PolarHBondContact O-OG1 2.82Å; R394-T396 VanDerWaalsContact C-N 3.3Å; R394-T396 PolarHBondContact O-N 2.97Å; T396-T399 PolarHBondContact O-OG1 3.08Å |
| 397 | T | 60 | Low | 63.4 | Low | 83 Ų | 83 | 93.8 Ų | 93.8 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.3 | -29.1 | 175.6 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | K393 R394 S400 | K393-T397 PolarHBondContact O-N 2.92Å; K393-T397 VanDerWaalsContact O-N 3.13Å; K393-T397 PolarHBondContact O-OG1 2.9Å; R394-T397 PolarHBondContact O-N 3.14Å; R394-T397 PolarHBondContact O-OG1 3.17Å; T397-S400 PolarHBondContact O-OG 3.02Å |
| 398 | T | 56.4 | Low | 61.2 | Low | 93 Ų | 93 | 100.2 Ų | 100.2 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -78.6 | -27.9 | 176.8 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | R394 L395 | R394-T398 PolarHBondContact O-N 3.37Å; R394-T398 VanDerWaalsContact O-N 3.17Å; R394-T398 PolarHBondContact O-OG1 3.29Å; L395-T398 PolarHBondContact O-OG1 2.81Å |
| 399 | T | 55.1 | Low | 58.8 | Low | 84 Ų | 84 | 106.9 Ų | 106.9 | 52% | 0.515 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -80.3 | -22.5 | -177 | 37.6 | 0 | 0 | 0 | 0 | 114.4 | L395 T396 L401 S402 | L395-T399 PolarHBondContact O-N 3.09Å; L395-T399 PolarHBondContact O-OG1 3.43Å; T396-T399 PolarHBondContact O-OG1 3.08Å; T399-L401 PolarHBondContact O-N 3.43Å; T399-S402 PolarHBondContact O-N 2.92Å |
| 400 | S | 51.6 | Low | 56.6 | Low | 80 Ų | 80 | 106.8 Ų | 106.8 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -21.4 | 179.7 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | T397 | T397-S400 PolarHBondContact O-OG 3.02Š|
| 401 | L | 53 | Low | 54.8 | Low | 157 Ų | 157 | 115.2 Ų | 115.2 | 82% | 0.822 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -5.9 | 176.9 | -71.4 | 165 | 0 | 0 | 0 | 113.8 | T399 | T399-L401 PolarHBondContact O-N 3.43Š|
| 402 | S | 44.6 | Very low | 53.4 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | trans | -106.1 | 47.7 | 179.7 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | T399 S404 | T399-S402 PolarHBondContact O-N 2.92Å; S402-S404 VanDerWaalsContact C-N 3.29Å; S402-S404 PolarHBondContact O-N 3.48Å | ||
| 403 | S | 41.5 | Very low | 52.4 | Low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | trans | -78.4 | 72 | 175 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 404 | S | 39.1 | Very low | 52.1 | Low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -153.8 | 108.7 | 158.1 | -164.5 | 0 | 0 | 0 | 0 | 112.4 | S402 | S402-S404 VanDerWaalsContact C-N 3.29Å; S402-S404 PolarHBondContact O-N 3.48Å |
| 405 | N | 40.3 | Very low | 52.4 | Low | 148 Ų | 148 | 121.6 Ų | 121.6 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | trans | 39.7 | 84.3 | 149.3 | -59.8 | -16.2 | 0 | 0 | 0 | 118.1 | ||||
| 406 | N | 42.5 | Very low | 52.9 | Low | 152 Ų | 152 | 122.7 Ų | 122.7 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | trans | -154.4 | 84.8 | 140.7 | -97.9 | -38.1 | 0 | 0 | 0 | 110.9 | N408 | N406-N408 VanDerWaalsContact C-N 3.28Å; N406-N408 PolarHBondContact O-N 3.19Å | ||
| 407 | S | 37.1 | Very low | 53.7 | Low | 117 Ų | 117 | 118.6 Ų | 118.6 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | trans | -74.7 | 77.4 | 172.1 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 408 | N | 38.9 | Very low | 55.1 | Low | 151 Ų | 151 | 116.4 Ų | 116.4 | 81% | 0.807 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -162.7 | 113.7 | 159.8 | -94.8 | -34.3 | 0 | 0 | 0 | 111.3 | N406 I410 | N406-N408 VanDerWaalsContact C-N 3.28Å; N406-N408 PolarHBondContact O-N 3.19Å; N408-I410 PolarHBondContact O-N 3.49Å |
| 409 | Q | 38.1 | Very low | 56.5 | Low | 155 Ų | 155 | 116.3 Ų | 116.3 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | trans | 45.2 | 59.7 | 169.5 | -59.2 | -165.2 | 17 | 0 | 0 | 117.5 | R411 | Q409-R411 PolarHBondContact O-N 2.82Š| ||
| 410 | I | 42.4 | Very low | 57.9 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 72% | 0.723 | 60% | 0.597 | S | S | * | * | trans | -65.8 | 88.8 | 149.1 | -58 | 174.2 | 0 | 0 | 0 | 106.8 | N408 R412 | N408-I410 PolarHBondContact O-N 3.49Å; I410-R412 PolarHBondContact O-N 2.79Å | ||
| 411 | R | 43.7 | Very low | 59.8 | Low | 200 Ų | 200 | 108.8 Ų | 108.8 | 76% | 0.755 | 57% | 0.571 | S | S | * | * | trans | -58.6 | 112.1 | 167.8 | -68 | -177.4 | -178.6 | -173.9 | 1 | 106.2 | Q409 T413 | Q409-R411 PolarHBondContact O-N 2.82Å; R411-T413 VanDerWaalsContact C-N 3.29Å; R411-T413 PolarHBondContact O-N 3.24Å | ||
| 412 | R | 52.5 | Low | 61.6 | Low | 237 Ų | 237 | 104.1 Ų | 104.1 | 89% | 0.894 | 56% | 0.555 | S | S | * | * | trans | -61.3 | 96.8 | 168.4 | -70.5 | -178.3 | 178.9 | 172.4 | -1.1 | 107.1 | I410 R414 | I410-R412 PolarHBondContact O-N 2.79Å; R412-R414 PolarHBondContact O-N 3Å; R412-R414 VanDerWaalsContact O-N 3.15Å | ||
| 413 | T | 63.8 | Low | 63.7 | Low | 100 Ų | 100 | 101.4 Ų | 101.4 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | trans | -62.6 | 114.7 | 174.9 | 46.4 | 0 | 0 | 0 | 0 | 107.2 | R411 | R411-T413 VanDerWaalsContact C-N 3.29Å; R411-T413 PolarHBondContact O-N 3.24Å | ||
| 414 | R | 73.4 | Confident | 66.2 | Low | 177 Ų | 177 | 99.1 Ų | 99.1 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 145.4 | 174.7 | -70.4 | -175.5 | -179.5 | 170.7 | 0 | 109 | A315 R412 D416 | A315-R414 PolarHBondContact O-NH1 2.88Å; R412-R414 PolarHBondContact O-N 3Å; R412-R414 VanDerWaalsContact O-N 3.15Å; R414-D416 PolarHBondContact O-N 3.13Å |
| 415 | P | 82.1 | Confident | 68.7 | Low | 11 Ų | 11 | 97 Ų | 97 | 7% | 0.071 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -52 | 124.4 | 168 | -25.5 | 34.1 | 0 | 0 | 0 | 110.2 | H316 I388 I391 E392 | H316-P415 PolarHBondContact ND1-O 3.33Å; I388-P415 HydrophobicContact CG2-CG 4.45Å; I391-P415 HydrophobicContact CB-CB 4.14Å; I391-P415 HydrophobicContact CB-CG 4.07Å; I391-P415 HydrophobicContact CD1-CB 4.01Å; I391-P415 HydrophobicContact CG2-CB 3.83Å; I391-P415 HydrophobicContact CG2-CG 3.78Å; E392-P415 HydrophobicContact CG-CG 4.14Å |
| 416 | D | 84.3 | Confident | 71.2 | Confident | 93 Ų | 93 | 91.2 Ų | 91.2 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 125.6 | 171.3 | -174.8 | 3.3 | 0 | 0 | 0 | 108.8 | H316 R414 T418 | H316-D416 CarbonylContact O-C 3.6Å; H316-D416 WeakPolarHBondContact O-CA 3.36Å; R414-D416 PolarHBondContact O-N 3.13Å; D416-T418 WeakPolarHBondContact OD1-CB 3.48Å; D416-T418 PolarHBondContact OD1-N 3.01Å; D416-T418 PolarHBondContact OD1-OG1 3.48Å |
| 417 | L | 88.5 | Confident | 73.7 | Confident | 5 Ų | 5 | 84 Ų | 84 | 3% | 0.026 | 42% | 0.423 | C | S | . | . | trans | -110.9 | 9.8 | -178.7 | -54.8 | 175.8 | 0 | 0 | 0 | 111.7 | H316 L384 I388 I391 T419 L420 L421 | H316-L417 HydrophobicContact CB-CD1 3.87Å; H316-L417 HydrophobicContact CB-CG 4.09Å; H316-L417 PolarHBondContact O-N 3.43Å; L384-L417 HydrophobicContact CB-CD1 4.46Å; L384-L417 HydrophobicContact CD2-CD1 3.96Å; I388-L417 HydrophobicContact CD1-CD1 3.98Å; I388-L417 HydrophobicContact CG1-CD1 3.82Å; I391-L417 HydrophobicContact CD1-CD2 4.05Å; L417-T419 VanDerWaalsContact C-N 3.35Å; L417-T419 PolarHBondContact O-N 3.25Å; L417-L420 HydrophobicContact CD2-CD2 4.4Å; L417-L420 WeakPolarHBondContact O-CB 3.47Å; L417-L420 PolarHBondContact O-N 3.02Å; L417-L421 PolarHBondContact O-N 2.85Å; L417-L421 VanDerWaalsContact O-N 3.08Å | ||
| 418 | T | 87.5 | Confident | 76.6 | Confident | 38 Ų | 38 | 80.2 Ų | 80.2 | 23% | 0.233 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | -178.2 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | C317 S318 D416 L420 A422 | C317-T418 WeakPolarHBondContact CA-OG1 3.32Å; S318-T418 PolarHBondContact N-OG1 2.91Å; S318-T418 VanDerWaalsContact N-OG1 3.08Å; S318-T418 PolarHBondContact OG-OG1 2.97Å; D416-T418 WeakPolarHBondContact OD1-CB 3.48Å; D416-T418 PolarHBondContact OD1-N 3.01Å; D416-T418 PolarHBondContact OD1-OG1 3.48Å; T418-L420 VanDerWaalsContact C-N 3.34Å; T418-L420 PolarHBondContact O-N 3.4Å; T418-A422 WeakPolarHBondContact O-CB 3.41Å; T418-A422 PolarHBondContact O-N 2.91Å |
| 419 | T | 85.7 | Confident | 79.3 | Confident | 90 Ų | 90 | 73.1 Ų | 73.1 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.9 | -34.7 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 113 | L417 Q423 | L417-T419 VanDerWaalsContact C-N 3.35Å; L417-T419 PolarHBondContact O-N 3.25Å; T419-Q423 WeakPolarHBondContact O-CG 3.31Å; T419-Q423 PolarHBondContact O-NE2 3.37Å |
| 420 | L | 85.1 | Confident | 82.1 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -59 | 175 | 163.9 | 48.7 | 0 | 0 | 0 | 110.6 | L384 L417 T418 A422 Q423 F426 L623 | L384-L420 HydrophobicContact CD2-CD2 3.61Å; L384-L420 HydrophobicContact CD2-CG 4.49Å; L417-L420 HydrophobicContact CD2-CD2 4.4Å; L417-L420 WeakPolarHBondContact O-CB 3.47Å; L417-L420 PolarHBondContact O-N 3.02Å; T418-L420 VanDerWaalsContact C-N 3.34Å; T418-L420 PolarHBondContact O-N 3.4Å; L420-A422 PolarHBondContact O-N 3.46Å; L420-A422 VanDerWaalsContact O-N 3.11Å; L420-Q423 WeakPolarHBondContact O-CB 3.29Å; L420-Q423 PolarHBondContact O-N 2.98Å; L420-F426 HydrophobicContact CD1-CD1 3.68Å; L420-F426 HydrophobicContact CD1-CD2 4.46Å; L420-F426 HydrophobicContact CD1-CE1 3.77Å; L420-F426 HydrophobicContact CD1-CG 4.05Å; L420-F426 HydrophobicContact CD1-CZ 4.21Å; L420-L623 HydrophobicContact CB-CB 4.02Å; L420-L623 HydrophobicContact CD1-CB 3.85Å; L420-L623 HydrophobicContact CD1-CD1 4.34Å; L420-L623 HydrophobicContact CD1-CD2 3.32Å; L420-L623 HydrophobicContact CD1-CG 3.88Å; L420-L623 HydrophobicContact CD2-CB 4.35Å; L420-L623 HydrophobicContact CD2-CD1 3.82Å; L420-L623 HydrophobicContact CD2-CD2 4.31Å; L420-L623 HydrophobicContact CD2-CG 4.26Å; L420-L623 HydrophobicContact CG-CB 4.26Å; L420-L623 HydrophobicContact CG-CD2 4.35Å; L420-L623 HydrophobicContact CG-CG 4.49Å |
| 421 | L | 91.5 | Very high | 84.8 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.7 | -7.4 | -172.9 | -64.9 | 178.1 | 0 | 0 | 0 | 113.3 | I313 P321 I325 L380 L384 L417 H427 | I313-L421 HydrophobicContact CD1-CD1 4.29Å; I313-L421 HydrophobicContact CG1-CD1 3.94Å; I313-L421 HydrophobicContact CG2-CD1 4.29Å; P321-L421 HydrophobicContact CB-CB 4.08Å; P321-L421 HydrophobicContact CG-CB 3.65Å; P321-L421 HydrophobicContact CG-CD1 3.76Å; P321-L421 HydrophobicContact CG-CG 4.34Å; I325-L421 HydrophobicContact CD1-CD2 4.4Å; L380-L421 HydrophobicContact CD1-CD2 3.95Å; L384-L421 HydrophobicContact CD1-CD1 4.32Å; L384-L421 HydrophobicContact CD1-CD2 4.29Å; L384-L421 HydrophobicContact CD2-CD2 4.04Å; L384-L421 HydrophobicContact CD2-CG 4.43Å; L417-L421 PolarHBondContact O-N 2.85Å; L417-L421 VanDerWaalsContact O-N 3.08Å; L421-H427 WeakPolarHBondContact CA-NE2 3.3Å; L421-H427 PolarHBondContact O-NE2 3.23Å; L421-H427 VanDerWaalsContact O-NE2 3.13Å |
| 422 | A | 90.1 | Very high | 87.3 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 49% | 0.488 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.6 | -30.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R328 T418 L420 D424 | R328-A422 PolarHBondContact NH2-O 2.97Å; T418-A422 WeakPolarHBondContact O-CB 3.41Å; T418-A422 PolarHBondContact O-N 2.91Å; L420-A422 PolarHBondContact O-N 3.46Å; L420-A422 VanDerWaalsContact O-N 3.11Å; A422-D424 PolarHBondContact O-N 2.83Å; A422-D424 VanDerWaalsContact O-N 3.11Å |
| 423 | Q | 90.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | trans | -65.8 | 108.5 | -169.9 | -61.4 | -48.9 | -52.7 | 0 | 0 | 112.9 | T419 L420 T425 F426 H427 | T419-Q423 WeakPolarHBondContact O-CG 3.31Å; T419-Q423 PolarHBondContact O-NE2 3.37Å; L420-Q423 WeakPolarHBondContact O-CB 3.29Å; L420-Q423 PolarHBondContact O-N 2.98Å; Q423-T425 PolarHBondContact O-N 3.13Å; Q423-F426 HydrophobicContact CB-CB 3.98Å; Q423-F426 PolarHBondContact O-N 3.32Å; Q423-H427 PolarHBondContact O-CD2 2.95Å; Q423-H427 PolarHBondContact O-N 2.87Å | ||
| 424 | D | 93.2 | Very high | 91 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.7 | -46.5 | -179.8 | -171.8 | 77.1 | 0 | 0 | 0 | 112.9 | R328 A422 F426 H427 R428 | R328-D424 IonicContact CZ-OD1 2.99Å; R328-D424 IonicContact NE-OD1 2.72Å; R328-D424 PolarHBondContact NE-OD1 3.47Å; R328-D424 IonicContact NH2-OD1 3.19Å; R328-D424 PolarHBondContact NH2-OD1 2.96Å; A422-D424 PolarHBondContact O-N 2.83Å; A422-D424 VanDerWaalsContact O-N 3.11Å; D424-F426 VanDerWaalsContact C-N 3.32Å; D424-F426 PolarHBondContact O-N 3.12Å; D424-H427 PolarHBondContact O-N 3.24Å; D424-H427 VanDerWaalsContact O-N 3.12Å; D424-R428 WeakPolarHBondContact O-CG 3.32Å; D424-R428 PolarHBondContact O-N 2.91Å; D424-R428 WeakPolarHBondContact OD2-CD 3.3Å |
| 425 | T | 91.1 | Very high | 92.2 | Very high | 51 Ų | 51 | 25 Ų | 25 | 31% | 0.313 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.6 | -38.1 | -179 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | Q423 A429 | Q423-T425 PolarHBondContact O-N 3.13Å; T425-A429 VanDerWaalsContact O-CB 3.26Å; T425-A429 WeakPolarHBondContact O-CB 3.36Å; T425-A429 PolarHBondContact O-N 3.1Å |
| 426 | F | 92.8 | Very high | 92.8 | Very high | 27 Ų | 27 | 24.5 Ų | 24.5 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 174.1 | 166.5 | -110.7 | 0 | 0 | 0 | 111.2 | L380 I383 L420 Q423 D424 A429 L430 | L380-F426 HydrophobicContact CD1-CE1 3.9Å; L380-F426 HydrophobicContact CD1-CZ 4.12Å; I383-F426 HydrophobicContact CG2-CZ 4.34Å; L420-F426 HydrophobicContact CD1-CD1 3.68Å; L420-F426 HydrophobicContact CD1-CD2 4.46Å; L420-F426 HydrophobicContact CD1-CE1 3.77Å; L420-F426 HydrophobicContact CD1-CG 4.05Å; L420-F426 HydrophobicContact CD1-CZ 4.21Å; Q423-F426 HydrophobicContact CB-CB 3.98Å; Q423-F426 PolarHBondContact O-N 3.32Å; D424-F426 VanDerWaalsContact C-N 3.32Å; D424-F426 PolarHBondContact O-N 3.12Å; F426-A429 PolarHBondContact O-N 3.08Å; F426-L430 HydrophobicContact CE1-CD2 4.48Å; F426-L430 HydrophobicContact CZ-CD2 4.01Å; F426-L430 WeakPolarHBondContact O-CB 3.37Å; F426-L430 PolarHBondContact O-N 3.38Å |
| 427 | H | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | -179.1 | -74.2 | -69 | 0 | 0 | 0 | 112.6 | R328 Y376 L421 Q423 D424 F431 | R328-H427 VanDerWaalsContact CD-CB 3.4Å; R328-H427 PolarHBondContact NH1-CD2 3.45Å; Y376-H427 AromaticContact CZ-ND1 3.9Å; Y376-H427 PolarHBondContact OH-CE1 3.34Å; Y376-H427 PolarHBondContact OH-ND1 3.2Å; L421-H427 WeakPolarHBondContact CA-NE2 3.3Å; L421-H427 PolarHBondContact O-NE2 3.23Å; L421-H427 VanDerWaalsContact O-NE2 3.13Å; Q423-H427 PolarHBondContact O-CD2 2.95Å; Q423-H427 PolarHBondContact O-N 2.87Å; D424-H427 PolarHBondContact O-N 3.24Å; D424-H427 VanDerWaalsContact O-N 3.12Å; H427-F431 VanDerWaalsContact O-CB 3.31Å; H427-F431 WeakPolarHBondContact O-CB 3.17Å; H427-F431 PolarHBondContact O-N 2.65Å |
| 428 | R | 97 | Very high | 93.6 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 14% | 0.136 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.3 | -51.7 | 171.5 | -67 | -174 | 81.7 | 95.5 | -0.1 | 111.1 | L332 D424 L430 F431 I432 L456 L458 | L332-R428 HydrophobicContact CD1-CG 4.24Å; L332-R428 HydrophobicContact CD2-CG 4.25Å; D424-R428 WeakPolarHBondContact O-CG 3.32Å; D424-R428 PolarHBondContact O-N 2.91Å; D424-R428 WeakPolarHBondContact OD2-CD 3.3Å; R428-L430 PolarHBondContact O-N 3.3Å; R428-F431 PolarHBondContact O-N 2.88Å; R428-I432 HydrophobicContact CB-CD1 4.44Å; R428-I432 VanDerWaalsContact O-CB 3.31Å; R428-I432 WeakPolarHBondContact O-CB 3.19Å; R428-I432 WeakPolarHBondContact O-CD1 3.42Å; R428-I432 WeakPolarHBondContact O-CG1 3.33Å; R428-I432 PolarHBondContact O-N 3Å; R428-L456 PolarHBondContact NH2-O 3.18Å; R428-L458 HydrophobicContact CB-CD1 4.17Å |
| 429 | A | 96.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T425 F426 I432 C433 L458 V466 | T425-A429 VanDerWaalsContact O-CB 3.26Å; T425-A429 WeakPolarHBondContact O-CB 3.36Å; T425-A429 PolarHBondContact O-N 3.1Å; F426-A429 PolarHBondContact O-N 3.08Å; A429-I432 PolarHBondContact O-N 3.33Å; A429-C433 WeakPolarHBondContact O-CB 3.36Å; A429-C433 PolarHBondContact O-N 3.47Å; A429-L458 HydrophobicContact CB-CD1 4.45Å; A429-L458 HydrophobicContact CB-CD2 3.95Å; A429-V466 HydrophobicContact CB-CB 4.15Å; A429-V466 HydrophobicContact CB-CG1 3.96Å |
| 430 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 178.2 | -177.1 | 60.4 | 0 | 0 | 0 | 111.7 | Y376 A379 L380 I383 F426 R428 I432 C433 C434 V466 L470 | Y376-L430 HydrophobicContact CD2-CB 4.43Å; Y376-L430 HydrophobicContact CD2-CD2 4.08Å; Y376-L430 HydrophobicContact CD2-CG 3.91Å; Y376-L430 HydrophobicContact CE2-CB 4.22Å; Y376-L430 HydrophobicContact CE2-CD2 3.8Å; Y376-L430 HydrophobicContact CE2-CG 3.97Å; A379-L430 HydrophobicContact CB-CD1 4.02Å; L380-L430 HydrophobicContact CB-CD2 4.19Å; L380-L430 HydrophobicContact CD1-CD2 4.18Å; I383-L430 HydrophobicContact CD1-CD1 3.76Å; I383-L430 HydrophobicContact CD1-CD2 4.28Å; F426-L430 HydrophobicContact CE1-CD2 4.48Å; F426-L430 HydrophobicContact CZ-CD2 4.01Å; F426-L430 WeakPolarHBondContact O-CB 3.37Å; F426-L430 PolarHBondContact O-N 3.38Å; R428-L430 PolarHBondContact O-N 3.3Å; L430-I432 PolarHBondContact O-N 2.94Å; L430-C433 PolarHBondContact O-N 2.82Å; L430-C434 PolarHBondContact O-N 2.79Å; L430-C434 PolarHBondContact O-SG 3.43Å; L430-C434 VanDerWaalsContact O-SG 3.35Å; L430-V466 HydrophobicContact CB-CG2 4.18Å; L430-V466 HydrophobicContact CD1-CG2 4.05Å; L430-L470 HydrophobicContact CD1-CD1 3.91Å |
| 431 | F | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 176 | 176.8 | -96 | 0 | 0 | 0 | 111.8 | L329 L332 L369 C372 Y373 Y376 H427 R428 C433 C434 M435 L456 | L329-F431 HydrophobicContact CD2-CB 4.25Å; L329-F431 HydrophobicContact CD2-CD2 3.44Å; L329-F431 VanDerWaalsContact CD2-CD2 3.44Å; L329-F431 HydrophobicContact CD2-CE2 4.1Å; L329-F431 HydrophobicContact CD2-CG 4.11Å; L332-F431 HydrophobicContact CB-CD1 3.81Å; L332-F431 HydrophobicContact CB-CE1 3.69Å; L332-F431 HydrophobicContact CB-CG 4.43Å; L332-F431 HydrophobicContact CB-CZ 4.19Å; L332-F431 HydrophobicContact CD1-CB 4.04Å; L332-F431 HydrophobicContact CD1-CD1 3.89Å; L332-F431 HydrophobicContact CD1-CG 4.01Å; L332-F431 HydrophobicContact CG-CD1 4.34Å; L369-F431 HydrophobicContact CD2-CE2 4.38Å; L369-F431 HydrophobicContact CD2-CZ 3.79Å; C372-F431 HydrophobicContact CB-CE2 4.5Å; C372-F431 VanDerWaalsContact SG-CE2 3.57Å; Y373-F431 HydrophobicContact CD1-CE2 4.05Å; Y373-F431 AromaticContact CE1-CE2 3.81Å; Y373-F431 HydrophobicContact CE1-CE2 3.81Å; Y373-F431 HydrophobicContact CE1-CZ 4.48Å; Y376-F431 HydrophobicContact CD2-CB 4.1Å; Y376-F431 HydrophobicContact CE2-CB 4.39Å; H427-F431 VanDerWaalsContact O-CB 3.31Å; H427-F431 WeakPolarHBondContact O-CB 3.17Å; H427-F431 PolarHBondContact O-N 2.65Å; R428-F431 PolarHBondContact O-N 2.88Å; F431-C433 VanDerWaalsContact C-N 3.26Å; F431-C433 PolarHBondContact O-N 3.32Å; F431-C434 PolarHBondContact O-N 2.81Å; F431-M435 VanDerWaalsContact O-CB 3.29Å; F431-M435 WeakPolarHBondContact O-CB 3.49Å; F431-M435 PolarHBondContact O-N 2.93Å; F431-L456 HydrophobicContact CD1-CD1 4.26Å; F431-L456 HydrophobicContact CE1-CD1 3.95Å |
| 432 | I | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62 | -35.2 | 179.9 | -71.9 | 165.7 | 0 | 0 | 0 | 111.3 | R428 A429 L430 M435 E436 I452 L453 L456 L458 F463 | R428-I432 HydrophobicContact CB-CD1 4.44Å; R428-I432 VanDerWaalsContact O-CB 3.31Å; R428-I432 WeakPolarHBondContact O-CB 3.19Å; R428-I432 WeakPolarHBondContact O-CD1 3.42Å; R428-I432 WeakPolarHBondContact O-CG1 3.33Å; R428-I432 PolarHBondContact O-N 3Å; A429-I432 PolarHBondContact O-N 3.33Å; L430-I432 PolarHBondContact O-N 2.94Å; I432-M435 PolarHBondContact O-N 2.74Å; I432-E436 WeakPolarHBondContact O-CB 3.47Å; I432-E436 PolarHBondContact O-N 3.45Å; I432-I452 HydrophobicContact CG2-CG1 3.96Å; I432-I452 HydrophobicContact CG2-CG2 3.97Å; I432-L453 HydrophobicContact CG2-CD2 3.85Å; I432-L456 HydrophobicContact CD1-CB 3.6Å; I432-L456 HydrophobicContact CD1-CD1 4.4Å; I432-L456 HydrophobicContact CG1-CB 3.83Å; I432-L456 HydrophobicContact CG1-CD1 3.67Å; I432-L456 HydrophobicContact CG1-CG 4.4Å; I432-L458 HydrophobicContact CB-CD2 4.33Å; I432-L458 HydrophobicContact CD1-CB 3.53Å; I432-L458 HydrophobicContact CD1-CD1 4.49Å; I432-L458 HydrophobicContact CD1-CD2 3.73Å; I432-L458 HydrophobicContact CD1-CG 4.1Å; I432-L458 HydrophobicContact CG2-CD2 4.25Å; I432-F463 HydrophobicContact CB-CE2 4.35Å; I432-F463 HydrophobicContact CG2-CD2 3.93Å; I432-F463 HydrophobicContact CG2-CE2 3.66Å; I432-F463 HydrophobicContact CG2-CZ 4.47Å |
| 433 | C | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -75.2 | -39.7 | 179 | -156.4 | 0 | 0 | 0 | 0 | 112.1 | A429 L430 F431 M435 E436 I437 F463 V466 L470 | A429-C433 WeakPolarHBondContact O-CB 3.36Å; A429-C433 PolarHBondContact O-N 3.47Å; L430-C433 PolarHBondContact O-N 2.82Å; F431-C433 VanDerWaalsContact C-N 3.26Å; F431-C433 PolarHBondContact O-N 3.32Å; C433-M435 VanDerWaalsContact C-N 3.33Å; C433-E436 PolarHBondContact O-N 3.35Å; C433-I437 WeakPolarHBondContact O-CG1 3.35Å; C433-I437 PolarHBondContact O-N 3.38Å; C433-I437 VanDerWaalsContact O-N 3.16Å; C433-F463 HydrophobicContact CB-CD2 4.46Å; C433-F463 HydrophobicContact CB-CE2 3.57Å; C433-F463 HydrophobicContact CB-CZ 4.14Å; C433-V466 HydrophobicContact CB-CG1 3.75Å; C433-L470 HydrophobicContact CB-CD2 3.77Å; C433-L470 WeakPolarHBondContact SG-CD2 3.33Å |
| 434 | C | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 168.7 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | L375 L430 F431 I437 V438 | L375-C434 HydrophobicContact CB-CB 4.5Å; L375-C434 HydrophobicContact CD2-CB 3.9Å; L375-C434 WeakPolarHBondContact CD2-O 3.29Å; L375-C434 HydrophobicContact CG-CB 4.05Å; L430-C434 PolarHBondContact O-N 2.79Å; L430-C434 PolarHBondContact O-SG 3.43Å; L430-C434 VanDerWaalsContact O-SG 3.35Å; F431-C434 PolarHBondContact O-N 2.81Å; C434-I437 PolarHBondContact O-N 3.12Å; C434-V438 WeakPolarHBondContact O-CG2 3.49Å; C434-V438 PolarHBondContact O-N 3.13Å; C434-V438 VanDerWaalsContact O-N 3.1Å |
| 435 | M | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.8 | -166 | 68.5 | -135.3 | 0 | 0 | 110.8 | F336 R368 L369 C372 F431 I432 C433 I437 V438 M439 I452 | F336-M435 HydrophobicContact CD1-CE 4.14Å; F336-M435 HydrophobicContact CD1-SD 4.37Å; F336-M435 HydrophobicContact CD2-CE 4.23Å; F336-M435 HydrophobicContact CD2-CG 4.17Å; F336-M435 HydrophobicContact CD2-SD 4.38Å; F336-M435 HydrophobicContact CE1-CE 3.53Å; F336-M435 HydrophobicContact CE1-SD 4.33Å; F336-M435 HydrophobicContact CE2-CE 3.63Å; F336-M435 HydrophobicContact CE2-CG 4.19Å; F336-M435 HydrophobicContact CE2-SD 4.34Å; F336-M435 HydrophobicContact CG-CE 4.47Å; F336-M435 HydrophobicContact CG-SD 4.41Å; F336-M435 HydrophobicContact CZ-CE 3.25Å; F336-M435 HydrophobicContact CZ-SD 4.33Å; R368-M435 HydrophobicContact CB-CE 3.54Å; L369-M435 HydrophobicContact CD2-SD 4.19Å; C372-M435 HydrophobicContact CB-SD 3.69Å; C372-M435 VanDerWaalsContact SG-SD 3.69Å; F431-M435 VanDerWaalsContact O-CB 3.29Å; F431-M435 WeakPolarHBondContact O-CB 3.49Å; F431-M435 PolarHBondContact O-N 2.93Å; I432-M435 PolarHBondContact O-N 2.74Å; C433-M435 VanDerWaalsContact C-N 3.33Å; M435-I437 VanDerWaalsContact C-N 3.33Å; M435-I437 PolarHBondContact O-N 2.95Å; M435-V438 HydrophobicContact CE-CB 4.47Å; M435-V438 HydrophobicContact CE-CG1 4.32Å; M435-V438 WeakPolarHBondContact O-CB 3.24Å; M435-V438 PolarHBondContact O-N 3.07Å; M435-V438 VanDerWaalsContact O-N 3.08Å; M435-M439 HydrophobicContact CE-CG 3.89Å; M435-M439 HydrophobicContact CE-SD 3.64Å; M435-M439 HydrophobicContact CG-CG 4.43Å; M435-M439 WeakPolarHBondContact O-CG 3.26Å; M435-M439 PolarHBondContact O-N 3.47Å; M435-I452 HydrophobicContact CB-CD1 4.44Å; M435-I452 HydrophobicContact CG-CD1 3.88Å |
| 436 | E | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -55.5 | -45 | 174.2 | -176.2 | 63.9 | -171.3 | 0 | 0 | 111.8 | I432 C433 V438 M439 L440 H448 F449 I452 F463 Y483 | I432-E436 WeakPolarHBondContact O-CB 3.47Å; I432-E436 PolarHBondContact O-N 3.45Å; C433-E436 PolarHBondContact O-N 3.35Å; E436-V438 VanDerWaalsContact C-N 3.33Å; E436-V438 PolarHBondContact O-N 3.06Å; E436-M439 PolarHBondContact O-N 3.23Å; E436-M439 VanDerWaalsContact O-N 3.12Å; E436-L440 HydrophobicContact CG-CD1 4.28Å; E436-L440 VanDerWaalsContact O-CG 3.26Å; E436-L440 WeakPolarHBondContact O-CG 3.42Å; E436-L440 PolarHBondContact O-N 2.95Å; E436-H448 WeakPolarHBondContact OE1-CA 3.37Å; E436-H448 WeakPolarHBondContact OE1-CB 3.47Å; E436-F449 PolarHBondContact OE1-N 3.28Å; E436-F449 PolarHBondContact OE2-N 3.49Å; E436-I452 WeakPolarHBondContact OE2-CG2 3.2Å; E436-F463 HydrophobicContact CB-CZ 4.46Å; E436-Y483 HydrophobicContact CG-CE1 4.32Å; E436-Y483 PolarHBondContact OE1-OH 2.85Å |
| 437 | I | 94.2 | Very high | 90 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 175.3 | -68.1 | 172.4 | 0 | 0 | 0 | 112.4 | L375 C433 C434 M435 S441 L470 L476 I480 L484 | L375-I437 HydrophobicContact CD2-CB 4.16Å; L375-I437 HydrophobicContact CD2-CG2 4Å; C433-I437 WeakPolarHBondContact O-CG1 3.35Å; C433-I437 PolarHBondContact O-N 3.38Å; C433-I437 VanDerWaalsContact O-N 3.16Å; C434-I437 PolarHBondContact O-N 3.12Å; M435-I437 VanDerWaalsContact C-N 3.33Å; M435-I437 PolarHBondContact O-N 2.95Å; I437-S441 PolarHBondContact O-N 3.28Å; I437-S441 PolarHBondContact O-OG 3.19Å; I437-L470 HydrophobicContact CD1-CD2 3.6Å; I437-L470 HydrophobicContact CD1-CG 4.41Å; I437-L476 HydrophobicContact CD1-CD1 3.82Å; I437-L476 HydrophobicContact CD1-CD2 4.13Å; I437-I480 HydrophobicContact CD1-CG2 4.49Å; I437-I480 HydrophobicContact CG1-CG2 4.07Å; I437-I480 HydrophobicContact CG2-CD1 4.36Å; I437-I480 HydrophobicContact CG2-CG2 4.47Å; I437-L484 HydrophobicContact CD1-CD1 4.18Å; I437-L484 HydrophobicContact CG1-CD1 4.34Å |
| 438 | V | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L294 R368 L371 C372 L375 C434 M435 E436 S441 C442 | L294-V438 HydrophobicContact CD2-CG2 4.11Å; R368-V438 HydrophobicContact CB-CG1 3.81Å; R368-V438 HydrophobicContact CG-CG1 4.16Å; L371-V438 HydrophobicContact CB-CG1 3.98Å; L371-V438 HydrophobicContact CB-CG2 3.87Å; L371-V438 HydrophobicContact CD1-CG1 4.16Å; C372-V438 HydrophobicContact CB-CG2 4.23Å; L375-V438 HydrophobicContact CD2-CG2 4.17Å; C434-V438 WeakPolarHBondContact O-CG2 3.49Å; C434-V438 PolarHBondContact O-N 3.13Å; C434-V438 VanDerWaalsContact O-N 3.1Å; M435-V438 HydrophobicContact CE-CB 4.47Å; M435-V438 HydrophobicContact CE-CG1 4.32Å; M435-V438 WeakPolarHBondContact O-CB 3.24Å; M435-V438 PolarHBondContact O-N 3.07Å; M435-V438 VanDerWaalsContact O-N 3.08Å; E436-V438 VanDerWaalsContact C-N 3.33Å; E436-V438 PolarHBondContact O-N 3.06Å; V438-S441 CarbonylContact O-C 3.57Å; V438-S441 WeakPolarHBondContact O-CA 3.45Å; V438-S441 WeakPolarHBondContact O-CB 3.49Å; V438-S441 PolarHBondContact O-N 3.44Å; V438-C442 WeakPolarHBondContact O-CB 3.36Å; V438-C442 PolarHBondContact O-N 3.06Å; V438-C442 PolarHBondContact O-SG 3.29Å |
| 439 | M | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | -179.6 | -65 | -65.4 | -64.3 | 0 | 0 | 112.2 | F336 Y340 M435 E436 S441 C442 D443 H447 H448 W451 | F336-M439 HydrophobicContact CE2-CE 4.45Å; F336-M439 HydrophobicContact CE2-SD 3.89Å; F336-M439 HydrophobicContact CZ-CE 4.46Å; F336-M439 HydrophobicContact CZ-SD 3.66Å; Y340-M439 HydrophobicContact CD2-CE 3.97Å; Y340-M439 HydrophobicContact CD2-SD 4.42Å; Y340-M439 HydrophobicContact CE2-CE 3.78Å; Y340-M439 HydrophobicContact CE2-SD 4.26Å; M435-M439 HydrophobicContact CE-CG 3.89Å; M435-M439 HydrophobicContact CE-SD 3.64Å; M435-M439 HydrophobicContact CG-CG 4.43Å; M435-M439 WeakPolarHBondContact O-CG 3.26Å; M435-M439 PolarHBondContact O-N 3.47Å; E436-M439 PolarHBondContact O-N 3.23Å; E436-M439 VanDerWaalsContact O-N 3.12Å; M439-S441 PolarHBondContact O-N 3.02Å; M439-C442 PolarHBondContact O-N 2.87Å; M439-D443 HydrophobicContact CE-CB 3.96Å; M439-D443 WeakPolarHBondContact CE-OD2 3.32Å; M439-D443 WeakPolarHBondContact O-CB 3.33Å; M439-D443 PolarHBondContact O-N 2.88Å; M439-H447 HydrophobicContact CE-CB 3.2Å; M439-H448 PolarHBondContact O-NE2 3.38Å; M439-W451 HydrophobicContact CE-CZ3 4.37Å |
| 440 | L | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.3 | -30 | 171.4 | -67.3 | 165 | 0 | 0 | 0 | 112.4 | F281 R287 E436 H448 Y483 | F281-L440 HydrophobicContact CD1-CB 4.02Å; F281-L440 HydrophobicContact CD1-CD2 4.42Å; F281-L440 VanDerWaalsContact CD1-O 3.22Å; F281-L440 WeakPolarHBondContact CD1-O 3.33Å; F281-L440 HydrophobicContact CD2-CD2 3.63Å; F281-L440 HydrophobicContact CE1-CB 3.94Å; F281-L440 HydrophobicContact CE1-CD2 4.49Å; F281-L440 HydrophobicContact CE2-CD2 3.71Å; F281-L440 HydrophobicContact CG-CB 4.39Å; F281-L440 HydrophobicContact CG-CD2 4Å; F281-L440 HydrophobicContact CZ-CB 4.24Å; F281-L440 HydrophobicContact CZ-CD1 4.38Å; F281-L440 HydrophobicContact CZ-CD2 4.15Å; F281-L440 HydrophobicContact CZ-CG 4.5Å; R287-L440 WeakPolarHBondContact CG-O 3.49Å; E436-L440 HydrophobicContact CG-CD1 4.28Å; E436-L440 VanDerWaalsContact O-CG 3.26Å; E436-L440 WeakPolarHBondContact O-CG 3.42Å; E436-L440 PolarHBondContact O-N 2.95Å; L440-H448 HydrophobicContact CD2-CB 4.5Å; L440-Y483 HydrophobicContact CD1-CD1 3.33Å; L440-Y483 HydrophobicContact CD1-CE1 3.51Å; L440-Y483 HydrophobicContact CD1-CG 4.09Å; L440-Y483 HydrophobicContact CD2-CD1 3.82Å; L440-Y483 HydrophobicContact CD2-CD2 4.08Å; L440-Y483 HydrophobicContact CD2-CE1 3.55Å; L440-Y483 HydrophobicContact CD2-CE2 3.81Å; L440-Y483 HydrophobicContact CD2-CG 4.08Å; L440-Y483 HydrophobicContact CG-CD1 4.21Å; L440-Y483 HydrophobicContact CG-CE1 4.05Å |
| 441 | S | 88.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -88.3 | -25.8 | -179.5 | -53.5 | 0 | 0 | 0 | 0 | 113 | R287 I437 V438 M439 | R287-S441 CarbonylContact C-O 3.6Å; R287-S441 WeakPolarHBondContact CB-O 3.44Å; R287-S441 VanDerWaalsContact O-O 3.08Å; I437-S441 PolarHBondContact O-N 3.28Å; I437-S441 PolarHBondContact O-OG 3.19Å; V438-S441 CarbonylContact O-C 3.57Å; V438-S441 WeakPolarHBondContact O-CA 3.45Å; V438-S441 WeakPolarHBondContact O-CB 3.49Å; V438-S441 PolarHBondContact O-N 3.44Å; M439-S441 PolarHBondContact O-N 3.02Å |
| 442 | C | 86.4 | Confident | 88.3 | Confident | 24 Ų | 24 | 20.8 Ų | 20.8 | 16% | 0.162 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -106.2 | -36.3 | -173.4 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | R287 R368 V438 M439 | R287-C442 PolarHBondContact NH1-O 3.02Å; R368-C442 HydrophobicContact CG-CB 4.17Å; V438-C442 WeakPolarHBondContact O-CB 3.36Å; V438-C442 PolarHBondContact O-N 3.06Å; V438-C442 PolarHBondContact O-SG 3.29Å; M439-C442 PolarHBondContact O-N 2.87Å |
| 443 | D | 79.6 | Confident | 88 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -119.5 | 151.1 | -158.3 | -70.6 | -73.8 | 0 | 0 | 0 | 114.3 | R287 Y340 R368 M439 H448 | R287-D443 WeakPolarHBondContact CD-O 3.28Å; Y340-D443 PolarHBondContact OH-OD1 3.1Å; R368-D443 WeakPolarHBondContact CD-OD2 3.42Å; R368-D443 IonicContact CZ-OD1 2.66Å; R368-D443 IonicContact CZ-OD2 2.81Å; R368-D443 VanDerWaalsContact NE-CG 3.32Å; R368-D443 IonicContact NE-OD1 3.56Å; R368-D443 PolarHBondContact NE-OD1 2.96Å; R368-D443 VanDerWaalsContact NE-OD1 3.17Å; R368-D443 IonicContact NE-OD2 3.56Å; R368-D443 PolarHBondContact NE-OD2 3.35Å; R368-D443 IonicContact NH2-OD1 2.77Å; R368-D443 PolarHBondContact NH2-OD1 2.95Å; R368-D443 IonicContact NH2-OD2 2.81Å; R368-D443 PolarHBondContact NH2-OD2 3.34Å; M439-D443 HydrophobicContact CE-CB 3.96Å; M439-D443 WeakPolarHBondContact CE-OD2 3.32Å; M439-D443 WeakPolarHBondContact O-CB 3.33Å; M439-D443 PolarHBondContact O-N 2.88Å; D443-H448 PolarHBondContact O-CE1 3.03Å; D443-H448 PolarHBondContact O-NE2 2.91Å; D443-H448 VanDerWaalsContact O-NE2 3.08Å |
| 444 | P | 74.7 | Confident | 87.7 | Confident | 55 Ų | 55 | 26.9 Ų | 26.9 | 36% | 0.357 | 14% | 0.143 | S | C | . | . | trans | -62.7 | 158.9 | 165.9 | 30.8 | -35.8 | 0 | 0 | 0 | 110.7 | N446 | P444-N446 PolarHBondContact O-N 3.47Š| ||
| 445 | P | 70.7 | Confident | 87.3 | Confident | 63 Ų | 63 | 28 Ų | 28 | 41% | 0.409 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -64.3 | -1.1 | -168.5 | 23.4 | -34.6 | 0 | 0 | 0 | 117.4 | H447 H448 | P445-H447 PolarHBondContact O-N 3.36Å; P445-H448 WeakPolarHBondContact CA-ND1 3.44Å; P445-H448 PolarHBondContact O-N 2.85Å |
| 446 | N | 72.2 | Confident | 87.3 | Confident | 125 Ų | 125 | 28 Ų | 28 | 67% | 0.668 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -62.1 | -23.7 | 179.3 | -58.8 | -4.2 | 0 | 0 | 0 | 113.5 | P444 | P444-N446 PolarHBondContact O-N 3.47Š|
| 447 | H | 79.6 | Confident | 87.2 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 22% | 0.218 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -118.3 | 16.1 | -177.5 | -58.5 | 157.4 | 0 | 0 | 0 | 113.1 | Y340 M439 P445 W451 | Y340-H447 AromaticContact CD2-ND1 3.73Å; Y340-H447 AromaticContact CE2-CE1 3.92Å; Y340-H447 AromaticContact CE2-ND1 3.43Å; Y340-H447 WeakPolarHBondContact CE2-ND1 3.41Å; M439-H447 HydrophobicContact CE-CB 3.2Å; P445-H447 PolarHBondContact O-N 3.36Å; H447-W451 HydrophobicContact CB-CD2 4.11Å; H447-W451 HydrophobicContact CB-CE3 3.75Å; H447-W451 HydrophobicContact CB-CZ3 3.97Å; H447-W451 AromaticContact CD2-CE2 3.99Å; H447-W451 VanDerWaalsContact O-CE3 3.24Å |
| 448 | H | 85.3 | Confident | 87.2 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -85.2 | 177.3 | 173.5 | -60.5 | 170.9 | 0 | 0 | 0 | 110.3 | E436 M439 L440 D443 P445 W451 | E436-H448 WeakPolarHBondContact OE1-CA 3.37Å; E436-H448 WeakPolarHBondContact OE1-CB 3.47Å; M439-H448 PolarHBondContact O-NE2 3.38Å; L440-H448 HydrophobicContact CD2-CB 4.5Å; D443-H448 PolarHBondContact O-CE1 3.03Å; D443-H448 PolarHBondContact O-NE2 2.91Å; D443-H448 VanDerWaalsContact O-NE2 3.08Å; P445-H448 WeakPolarHBondContact CA-ND1 3.44Å; P445-H448 PolarHBondContact O-N 2.85Å; H448-W451 VanDerWaalsContact O-CB 3.31Å; H448-W451 WeakPolarHBondContact O-CB 3.17Å; H448-W451 PolarHBondContact O-N 2.96Å |
| 449 | F | 88.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 131 | 174.3 | 174.7 | -84.1 | 0 | 0 | 0 | 111.3 | E436 L453 F463 V487 F490 I491 Y495 | E436-F449 PolarHBondContact OE1-N 3.28Å; E436-F449 PolarHBondContact OE2-N 3.49Å; F449-L453 HydrophobicContact CD2-CD1 4.03Å; F449-L453 HydrophobicContact CD2-CG 4.19Å; F449-L453 HydrophobicContact CE2-CD1 3.58Å; F449-L453 HydrophobicContact CE2-CG 4.26Å; F449-F463 HydrophobicContact CD2-CD1 4.15Å; F449-F463 AromaticContact CD2-CE1 3.99Å; F449-F463 HydrophobicContact CD2-CE1 3.99Å; F449-F463 HydrophobicContact CE2-CD1 4.2Å; F449-F463 HydrophobicContact CE2-CE1 4.46Å; F449-V487 HydrophobicContact CB-CG1 4.37Å; F449-V487 HydrophobicContact CB-CG2 4.09Å; F449-V487 HydrophobicContact CD1-CG1 3.97Å; F449-V487 HydrophobicContact CD1-CG2 4.11Å; F449-V487 HydrophobicContact CD2-CG1 3.55Å; F449-V487 HydrophobicContact CE1-CG1 4.12Å; F449-V487 HydrophobicContact CE2-CG1 3.69Å; F449-V487 HydrophobicContact CG-CG1 3.7Å; F449-V487 HydrophobicContact CG-CG2 4.06Å; F449-V487 HydrophobicContact CZ-CG1 3.99Å; F449-F490 HydrophobicContact CD1-CD2 4.27Å; F449-F490 HydrophobicContact CE1-CB 3.95Å; F449-F490 HydrophobicContact CE1-CD2 4.04Å; F449-F490 HydrophobicContact CE1-CG 4.49Å; F449-F490 HydrophobicContact CZ-CB 4.48Å; F449-I491 HydrophobicContact CE2-CD1 4.13Å; F449-I491 HydrophobicContact CE2-CG1 3.98Å; F449-I491 HydrophobicContact CZ-CD1 4.37Å; F449-I491 HydrophobicContact CZ-CG1 3.76Å; F449-Y495 AromaticContact CE1-CD2 3.93Å; F449-Y495 HydrophobicContact CE1-CD2 3.93Å; F449-Y495 HydrophobicContact CE1-CE1 4.35Å; F449-Y495 AromaticContact CE1-CE2 3.71Å; F449-Y495 HydrophobicContact CE1-CE2 3.71Å; F449-Y495 HydrophobicContact CE1-CG 4.35Å; F449-Y495 AromaticContact CE1-CZ 3.94Å; F449-Y495 HydrophobicContact CZ-CD1 4.1Å; F449-Y495 AromaticContact CZ-CD2 3.84Å; F449-Y495 HydrophobicContact CZ-CD2 3.84Å; F449-Y495 HydrophobicContact CZ-CE1 4.32Å; F449-Y495 HydrophobicContact CZ-CE2 4.07Å; F449-Y495 AromaticContact CZ-CG 3.86Å; F449-Y495 HydrophobicContact CZ-CG 3.86Å |
| 450 | P | 89.2 | Confident | 87.2 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.7 | -0.5 | 11.6 | 39.8 | -41.9 | 0 | 0 | 0 | 115.3 | I452 L453 E454 Y495 | P450-I452 PolarHBondContact O-N 3.26Å; P450-I452 VanDerWaalsContact O-N 3.13Å; P450-L453 WeakPolarHBondContact O-CB 3.4Å; P450-L453 PolarHBondContact O-N 2.85Å; P450-E454 PolarHBondContact O-N 3.36Å; P450-Y495 HydrophobicContact CB-CD1 4.09Å; P450-Y495 HydrophobicContact CB-CE1 3.31Å; P450-Y495 HydrophobicContact CG-CE1 3.63Å; P450-Y495 WeakPolarHBondContact CG-OH 3.14Å |
| 451 | W | 92.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 21% | 0.212 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.9 | -40.8 | -170.2 | 173 | 88.2 | 0 | 0 | 0 | 112.3 | F336 A339 Y340 M439 H447 H448 L453 E454 A455 | F336-W451 HydrophobicContact CD2-CH2 4.36Å; F336-W451 HydrophobicContact CD2-CZ3 4.41Å; F336-W451 HydrophobicContact CE2-CH2 4.02Å; F336-W451 AromaticContact CE2-CZ3 3.95Å; F336-W451 HydrophobicContact CE2-CZ3 3.95Å; A339-W451 HydrophobicContact CB-CH2 4.43Å; A339-W451 HydrophobicContact CB-CZ2 4.14Å; Y340-W451 HydrophobicContact CD2-CH2 4.37Å; M439-W451 HydrophobicContact CE-CZ3 4.37Å; H447-W451 HydrophobicContact CB-CD2 4.11Å; H447-W451 HydrophobicContact CB-CE3 3.75Å; H447-W451 HydrophobicContact CB-CZ3 3.97Å; H447-W451 AromaticContact CD2-CE2 3.99Å; H447-W451 VanDerWaalsContact O-CE3 3.24Å; H448-W451 VanDerWaalsContact O-CB 3.31Å; H448-W451 WeakPolarHBondContact O-CB 3.17Å; H448-W451 PolarHBondContact O-N 2.96Å; W451-L453 PolarHBondContact O-N 3.39Å; W451-E454 PolarHBondContact O-N 3.16Å; W451-E454 VanDerWaalsContact O-N 3.12Å; W451-A455 HydrophobicContact CD2-CB 4.1Å; W451-A455 HydrophobicContact CE3-CB 4.16Å; W451-A455 HydrophobicContact CH2-CB 3.94Å; W451-A455 HydrophobicContact CZ2-CB 3.86Å; W451-A455 HydrophobicContact CZ3-CB 4.08Å; W451-A455 VanDerWaalsContact O-CB 3.29Å; W451-A455 WeakPolarHBondContact O-CB 3.23Å; W451-A455 PolarHBondContact O-N 2.88Å |
| 452 | I | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -30.5 | -179.2 | -161.9 | 68.5 | 0 | 0 | 0 | 113.1 | F336 I432 M435 E436 P450 L456 | F336-I452 HydrophobicContact CD2-CD1 4Å; F336-I452 HydrophobicContact CE2-CD1 4.11Å; I432-I452 HydrophobicContact CG2-CG1 3.96Å; I432-I452 HydrophobicContact CG2-CG2 3.97Å; M435-I452 HydrophobicContact CB-CD1 4.44Å; M435-I452 HydrophobicContact CG-CD1 3.88Å; E436-I452 WeakPolarHBondContact OE2-CG2 3.2Å; P450-I452 PolarHBondContact O-N 3.26Å; P450-I452 VanDerWaalsContact O-N 3.13Å; I452-L456 HydrophobicContact CD1-CD1 3.87Å; I452-L456 HydrophobicContact CD1-CG 4.49Å; I452-L456 HydrophobicContact CG1-CD1 4.21Å; I452-L456 WeakPolarHBondContact O-CB 3.3Å; I452-L456 PolarHBondContact O-N 3.33Å |
| 453 | L | 92.3 | Very high | 87.8 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.3 | -39.3 | 176.4 | -60.7 | -165.9 | 0 | 0 | 0 | 111.9 | I432 F449 P450 W451 N457 L458 F463 | I432-L453 HydrophobicContact CG2-CD2 3.85Å; F449-L453 HydrophobicContact CD2-CD1 4.03Å; F449-L453 HydrophobicContact CD2-CG 4.19Å; F449-L453 HydrophobicContact CE2-CD1 3.58Å; F449-L453 HydrophobicContact CE2-CG 4.26Å; P450-L453 WeakPolarHBondContact O-CB 3.4Å; P450-L453 PolarHBondContact O-N 2.85Å; W451-L453 PolarHBondContact O-N 3.39Å; L453-N457 VanDerWaalsContact O-CA 3.31Å; L453-N457 WeakPolarHBondContact O-CA 3.28Å; L453-N457 PolarHBondContact O-N 3.25Å; L453-L458 HydrophobicContact CD2-CB 4.27Å; L453-L458 HydrophobicContact CD2-CD2 4.05Å; L453-L458 PolarHBondContact O-N 3.47Å; L453-F463 HydrophobicContact CD1-CB 4.32Å; L453-F463 HydrophobicContact CD1-CD1 4.39Å; L453-F463 HydrophobicContact CD2-CB 3.83Å; L453-F463 HydrophobicContact CD2-CD1 3.93Å; L453-F463 HydrophobicContact CD2-CD2 3.86Å; L453-F463 HydrophobicContact CD2-CE1 4.45Å; L453-F463 HydrophobicContact CD2-CE2 4.39Å; L453-F463 HydrophobicContact CD2-CG 3.61Å |
| 454 | E | 89.9 | Confident | 88.5 | Confident | 120 Ų | 120 | 39 Ų | 39 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -75.4 | -38.2 | 179 | -62.7 | 178 | -177.1 | 0 | 0 | 110.3 | P450 W451 R498 | P450-E454 PolarHBondContact O-N 3.36Å; W451-E454 PolarHBondContact O-N 3.16Å; W451-E454 VanDerWaalsContact O-N 3.12Å; E454-R498 IonicContact OE1-CZ 3.23Å; E454-R498 IonicContact OE1-NH1 2.83Å; E454-R498 PolarHBondContact OE1-NH1 3.36Å; E454-R498 IonicContact OE1-NH2 3.47Å |
| 455 | A | 90.3 | Very high | 89.2 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A339 W451 | A339-A455 HydrophobicContact CB-CB 3.74Å; W451-A455 HydrophobicContact CD2-CB 4.1Å; W451-A455 HydrophobicContact CE3-CB 4.16Å; W451-A455 HydrophobicContact CH2-CB 3.94Å; W451-A455 HydrophobicContact CZ2-CB 3.86Å; W451-A455 HydrophobicContact CZ3-CB 4.08Å; W451-A455 VanDerWaalsContact O-CB 3.29Å; W451-A455 WeakPolarHBondContact O-CB 3.23Å; W451-A455 PolarHBondContact O-N 2.88Å |
| 456 | L | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 18.6 | -177.4 | -65 | 176.6 | 0 | 0 | 0 | 113.6 | Q335 F336 R428 F431 I432 I452 L458 | Q335-L456 HydrophobicContact CB-CD2 3.57Å; F336-L456 HydrophobicContact CB-CD1 4.4Å; F336-L456 HydrophobicContact CB-CD2 4.02Å; R428-L456 PolarHBondContact NH2-O 3.18Å; F431-L456 HydrophobicContact CD1-CD1 4.26Å; F431-L456 HydrophobicContact CE1-CD1 3.95Å; I432-L456 HydrophobicContact CD1-CB 3.6Å; I432-L456 HydrophobicContact CD1-CD1 4.4Å; I432-L456 HydrophobicContact CG1-CB 3.83Å; I432-L456 HydrophobicContact CG1-CD1 3.67Å; I432-L456 HydrophobicContact CG1-CG 4.4Å; I452-L456 HydrophobicContact CD1-CD1 3.87Å; I452-L456 HydrophobicContact CD1-CG 4.49Å; I452-L456 HydrophobicContact CG1-CD1 4.21Å; I452-L456 WeakPolarHBondContact O-CB 3.3Å; I452-L456 PolarHBondContact O-N 3.33Å; L456-L458 PolarHBondContact O-N 2.87Å |
| 457 | N | 93.8 | Very high | 91.2 | Very high | 133 Ų | 133 | 29.5 Ų | 29.5 | 71% | 0.711 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 65.9 | 174.7 | -169.8 | 34.6 | 0 | 0 | 0 | 113.4 | L453 | L453-N457 VanDerWaalsContact O-CA 3.31Å; L453-N457 WeakPolarHBondContact O-CA 3.28Å; L453-N457 PolarHBondContact O-N 3.25Å |
| 458 | L | 95 | Very high | 91.7 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 9% | 0.094 | 15% | 0.147 | C | C | . | . | trans | -126.5 | 132.8 | 176 | -173.9 | 76.7 | 0 | 0 | 0 | 111.2 | R428 A429 I432 L453 L456 Q462 F463 | R428-L458 HydrophobicContact CB-CD1 4.17Å; A429-L458 HydrophobicContact CB-CD1 4.45Å; A429-L458 HydrophobicContact CB-CD2 3.95Å; I432-L458 HydrophobicContact CB-CD2 4.33Å; I432-L458 HydrophobicContact CD1-CB 3.53Å; I432-L458 HydrophobicContact CD1-CD1 4.49Å; I432-L458 HydrophobicContact CD1-CD2 3.73Å; I432-L458 HydrophobicContact CD1-CG 4.1Å; I432-L458 HydrophobicContact CG2-CD2 4.25Å; L453-L458 HydrophobicContact CD2-CB 4.27Å; L453-L458 HydrophobicContact CD2-CD2 4.05Å; L453-L458 PolarHBondContact O-N 3.47Å; L456-L458 PolarHBondContact O-N 2.87Å; L458-Q462 HydrophobicContact CD1-CB 3.98Å; L458-Q462 HydrophobicContact CG-CB 4.36Å; L458-F463 HydrophobicContact CD2-CB 3.83Å; L458-F463 HydrophobicContact CD2-CD2 3.87Å; L458-F463 HydrophobicContact CD2-CG 4.29Å | ||
| 459 | D | 93.4 | Very high | 91.9 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 20% | 0.198 | 15% | 0.148 | C | C | . | . | trans | -69.4 | 137 | 173.3 | 178.8 | -85.9 | 0 | 0 | 0 | 111.9 | V461 Q462 F463 S501 S502 | D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 PolarHBondContact O-N 3.19Å; D459-V461 WeakPolarHBondContact OD1-CA 3.45Å; D459-V461 WeakPolarHBondContact OD1-CB 3.38Å; D459-V461 WeakPolarHBondContact OD1-CG2 3.32Å; D459-V461 PolarHBondContact OD1-N 3.45Å; D459-Q462 HydrophobicContact CB-CG 4.05Å; D459-Q462 WeakPolarHBondContact O-CA 3.31Å; D459-Q462 WeakPolarHBondContact O-CB 3.31Å; D459-Q462 PolarHBondContact O-N 3.29Å; D459-F463 PolarHBondContact O-N 2.92Å; D459-F463 VanDerWaalsContact O-N 3.09Å; D459-S501 WeakPolarHBondContact OD2-CA 3.48Å; D459-S502 VanDerWaalsContact CG-OG 3.23Å; D459-S502 PolarHBondContact OD1-OG 3.38Å; D459-S502 PolarHBondContact OD2-N 3.19Å | ||
| 460 | S | 92.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.8 | -29 | -175.4 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | Q462 F463 Y464 Y495 A496 | S460-Q462 VanDerWaalsContact C-N 3.31Å; S460-F463 PolarHBondContact O-N 3.5Å; S460-Y464 WeakPolarHBondContact O-CB 3.4Å; S460-Y464 PolarHBondContact O-N 2.82Å; S460-Y495 VanDerWaalsContact OG-C 3.27Å; S460-Y495 PolarHBondContact OG-O 3.48Å; S460-A496 PolarHBondContact OG-N 3.01Å |
| 461 | V | 91.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.9 | -34.2 | 175 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | D459 K465 A496 I503 | D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 PolarHBondContact O-N 3.19Å; D459-V461 WeakPolarHBondContact OD1-CA 3.45Å; D459-V461 WeakPolarHBondContact OD1-CB 3.38Å; D459-V461 WeakPolarHBondContact OD1-CG2 3.32Å; D459-V461 PolarHBondContact OD1-N 3.45Å; V461-K465 VanDerWaalsContact O-CD 3.25Å; V461-K465 WeakPolarHBondContact O-CD 3.46Å; V461-K465 VanDerWaalsContact O-CG 3.26Å; V461-K465 WeakPolarHBondContact O-CG 3.24Å; V461-K465 PolarHBondContact O-N 3.25Å; V461-A496 HydrophobicContact CG2-CB 3.97Å; V461-I503 HydrophobicContact CG1-CD1 4.42Å; V461-I503 HydrophobicContact CG2-CB 4.25Å; V461-I503 HydrophobicContact CG2-CD1 4.28Å |
| 462 | Q | 91.4 | Very high | 92.1 | Very high | 43 Ų | 43 | 30.3 Ų | 30.3 | 20% | 0.201 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.2 | -33.2 | 174.6 | -50.6 | -58 | -15.7 | 0 | 0 | 111.9 | L458 D459 S460 | L458-Q462 HydrophobicContact CD1-CB 3.98Å; L458-Q462 HydrophobicContact CG-CB 4.36Å; D459-Q462 HydrophobicContact CB-CG 4.05Å; D459-Q462 WeakPolarHBondContact O-CA 3.31Å; D459-Q462 WeakPolarHBondContact O-CB 3.31Å; D459-Q462 PolarHBondContact O-N 3.29Å; S460-Q462 VanDerWaalsContact C-N 3.31Å |
| 463 | F | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.8 | -48.5 | 173.1 | -166.7 | -123.6 | 0 | 0 | 0 | 112.6 | I432 C433 E436 F449 L453 L458 D459 S460 K465 V466 I467 V487 I491 | I432-F463 HydrophobicContact CB-CE2 4.35Å; I432-F463 HydrophobicContact CG2-CD2 3.93Å; I432-F463 HydrophobicContact CG2-CE2 3.66Å; I432-F463 HydrophobicContact CG2-CZ 4.47Å; C433-F463 HydrophobicContact CB-CD2 4.46Å; C433-F463 HydrophobicContact CB-CE2 3.57Å; C433-F463 HydrophobicContact CB-CZ 4.14Å; E436-F463 HydrophobicContact CB-CZ 4.46Å; F449-F463 HydrophobicContact CD2-CD1 4.15Å; F449-F463 AromaticContact CD2-CE1 3.99Å; F449-F463 HydrophobicContact CD2-CE1 3.99Å; F449-F463 HydrophobicContact CE2-CD1 4.2Å; F449-F463 HydrophobicContact CE2-CE1 4.46Å; L453-F463 HydrophobicContact CD1-CB 4.32Å; L453-F463 HydrophobicContact CD1-CD1 4.39Å; L453-F463 HydrophobicContact CD2-CB 3.83Å; L453-F463 HydrophobicContact CD2-CD1 3.93Å; L453-F463 HydrophobicContact CD2-CD2 3.86Å; L453-F463 HydrophobicContact CD2-CE1 4.45Å; L453-F463 HydrophobicContact CD2-CE2 4.39Å; L453-F463 HydrophobicContact CD2-CG 3.61Å; L458-F463 HydrophobicContact CD2-CB 3.83Å; L458-F463 HydrophobicContact CD2-CD2 3.87Å; L458-F463 HydrophobicContact CD2-CG 4.29Å; D459-F463 PolarHBondContact O-N 2.92Å; D459-F463 VanDerWaalsContact O-N 3.09Å; S460-F463 PolarHBondContact O-N 3.5Å; F463-K465 PolarHBondContact O-N 2.54Å; F463-K465 VanDerWaalsContact O-N 3.13Å; F463-V466 WeakPolarHBondContact O-CG1 3.47Å; F463-V466 PolarHBondContact O-N 3.2Å; F463-V466 VanDerWaalsContact O-N 3.08Å; F463-I467 HydrophobicContact CD1-CD1 3.87Å; F463-I467 HydrophobicContact CD1-CG1 4.41Å; F463-I467 HydrophobicContact CE1-CD1 3.84Å; F463-I467 HydrophobicContact CE1-CG1 4.26Å; F463-I467 HydrophobicContact CZ-CG1 4.49Å; F463-V487 HydrophobicContact CD1-CG1 4.34Å; F463-V487 HydrophobicContact CE1-CG1 3.93Å; F463-I491 HydrophobicContact CD1-CD1 4.01Å |
| 464 | Y | 93.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -47 | -44.3 | 176.1 | 161 | -97.4 | 0 | 0 | 0 | 112.7 | S460 V466 I467 V488 L492 I713 F714 Q717 | S460-Y464 WeakPolarHBondContact O-CB 3.4Å; S460-Y464 PolarHBondContact O-N 2.82Å; Y464-V466 VanDerWaalsContact C-N 3.27Å; Y464-V466 PolarHBondContact O-N 3.34Å; Y464-I467 PolarHBondContact O-N 2.83Å; Y464-V488 HydrophobicContact CD2-CG1 4Å; Y464-V488 HydrophobicContact CD2-CG2 4.31Å; Y464-V488 HydrophobicContact CE2-CG1 3.85Å; Y464-L492 HydrophobicContact CD2-CD2 4.37Å; Y464-L492 HydrophobicContact CE2-CD1 4.36Å; Y464-L492 HydrophobicContact CE2-CD2 3.82Å; Y464-L492 HydrophobicContact CE2-CG 4.18Å; Y464-I713 PolarHBondContact OH-O 3.07Å; Y464-F714 AromaticContact CD1-CD2 3.93Å; Y464-F714 HydrophobicContact CD1-CD2 3.93Å; Y464-F714 HydrophobicContact CE1-CB 3.94Å; Y464-F714 AromaticContact CE1-CD2 3.8Å; Y464-F714 HydrophobicContact CE1-CD2 3.8Å; Y464-F714 HydrophobicContact CE1-CG 4.37Å; Y464-F714 HydrophobicContact CG-CD2 4.4Å; Y464-F714 WeakPolarHBondContact OH-CA 3.17Å; Y464-Q717 WeakPolarHBondContact OH-CG 3.4Å; Y464-Q717 PolarHBondContact OH-NE2 2.96Å; Y464-Q717 PolarHBondContact OH-OE1 3.26Å |
| 465 | K | 89.5 | Confident | 91.9 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.8 | -24.1 | -177 | -73.8 | 161.5 | 169 | 176.5 | 0 | 115.2 | V461 F463 L622 | V461-K465 VanDerWaalsContact O-CD 3.25Å; V461-K465 WeakPolarHBondContact O-CD 3.46Å; V461-K465 VanDerWaalsContact O-CG 3.26Å; V461-K465 WeakPolarHBondContact O-CG 3.24Å; V461-K465 PolarHBondContact O-N 3.25Å; F463-K465 PolarHBondContact O-N 2.54Å; F463-K465 VanDerWaalsContact O-N 3.13Å; K465-L622 HydrophobicContact CB-CD1 3.51Å; K465-L622 HydrophobicContact CD-CD1 3.47Å; K465-L622 VanDerWaalsContact CD-CD1 3.47Å; K465-L622 HydrophobicContact CD-CD2 3.64Å; K465-L622 HydrophobicContact CD-CG 4.18Å; K465-L622 HydrophobicContact CG-CD1 3.55Å |
| 466 | V | 92.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -98.5 | -21.3 | -178.9 | 84.7 | 0 | 0 | 0 | 0 | 113.4 | A429 L430 C433 F463 Y464 E468 V469 L470 | A429-V466 HydrophobicContact CB-CB 4.15Å; A429-V466 HydrophobicContact CB-CG1 3.96Å; L430-V466 HydrophobicContact CB-CG2 4.18Å; L430-V466 HydrophobicContact CD1-CG2 4.05Å; C433-V466 HydrophobicContact CB-CG1 3.75Å; F463-V466 WeakPolarHBondContact O-CG1 3.47Å; F463-V466 PolarHBondContact O-N 3.2Å; F463-V466 VanDerWaalsContact O-N 3.08Å; Y464-V466 VanDerWaalsContact C-N 3.27Å; Y464-V466 PolarHBondContact O-N 3.34Å; V466-E468 PolarHBondContact O-N 2.9Å; V466-V469 WeakPolarHBondContact O-CB 3.48Å; V466-V469 PolarHBondContact O-N 3.08Å; V466-L470 WeakPolarHBondContact O-CB 3.31Å; V466-L470 PolarHBondContact O-N 3.24Å |
| 467 | I | 93 | Very high | 91.4 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.2 | -52.7 | -173.1 | -67.9 | 169.4 | 0 | 0 | 0 | 111.4 | F463 Y464 V469 L470 V471 L484 V487 V488 I491 | F463-I467 HydrophobicContact CD1-CD1 3.87Å; F463-I467 HydrophobicContact CD1-CG1 4.41Å; F463-I467 HydrophobicContact CE1-CD1 3.84Å; F463-I467 HydrophobicContact CE1-CG1 4.26Å; F463-I467 HydrophobicContact CZ-CG1 4.49Å; Y464-I467 PolarHBondContact O-N 2.83Å; I467-V469 VanDerWaalsContact C-N 3.29Å; I467-V469 PolarHBondContact O-N 2.91Å; I467-L470 PolarHBondContact O-N 3.17Å; I467-V471 HydrophobicContact CG2-CG2 4.33Å; I467-V471 WeakPolarHBondContact O-CB 3.48Å; I467-V471 WeakPolarHBondContact O-CG2 3.49Å; I467-V471 PolarHBondContact O-N 2.86Å; I467-L484 HydrophobicContact CG2-CB 3.78Å; I467-L484 HydrophobicContact CG2-CD2 4.38Å; I467-L484 HydrophobicContact CG2-CG 4.49Å; I467-V487 HydrophobicContact CD1-CG1 4Å; I467-V488 HydrophobicContact CB-CG2 4.07Å; I467-V488 HydrophobicContact CD1-CG2 3.78Å; I467-V488 HydrophobicContact CG2-CG2 3.8Å; I467-I491 HydrophobicContact CD1-CD1 4.08Å |
| 468 | E | 89.1 | Confident | 90.8 | Very high | 39 Ų | 39 | 33.3 Ų | 33.3 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -34.4 | -178.6 | -171.5 | 173.5 | 171.9 | 0 | 0 | 112.1 | V466 R472 L606 S615 Q717 | V466-E468 PolarHBondContact O-N 2.9Å; E468-R472 VanDerWaalsContact O-CB 3.24Å; E468-R472 WeakPolarHBondContact O-CB 3.25Å; E468-R472 PolarHBondContact O-N 3.38Å; E468-L606 HydrophobicContact CG-CD1 3.91Å; E468-S615 WeakPolarHBondContact OE1-CB 3.32Å; E468-S615 PolarHBondContact OE1-OG 3.05Å; E468-S615 WeakPolarHBondContact OE2-CB 3.43Å; E468-S615 PolarHBondContact OE2-OG 3.28Å; E468-S615 VanDerWaalsContact OE2-OG 3.12Å; E468-Q717 PolarHBondContact OE2-NE2 3.03Å |
| 469 | V | 88.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.4 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | I383 V466 I467 R472 S473 A619 | I383-V469 HydrophobicContact CD1-CG1 3.87Å; I383-V469 HydrophobicContact CG1-CG1 3.87Å; I383-V469 HydrophobicContact CG2-CG1 4.11Å; V466-V469 WeakPolarHBondContact O-CB 3.48Å; V466-V469 PolarHBondContact O-N 3.08Å; I467-V469 VanDerWaalsContact C-N 3.29Å; I467-V469 PolarHBondContact O-N 2.91Å; V469-R472 PolarHBondContact O-N 3.08Å; V469-S473 WeakPolarHBondContact O-CB 3.45Å; V469-S473 PolarHBondContact O-N 3.26Å; V469-S473 VanDerWaalsContact O-N 3.09Å; V469-S473 PolarHBondContact O-OG 3.08Å; V469-A619 HydrophobicContact CG2-CB 3.57Å |
| 470 | L | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -49.8 | 179.3 | -172.8 | 65.8 | 0 | 0 | 0 | 111.7 | A379 L430 C433 I437 V466 I467 R472 S473 L474 | A379-L470 HydrophobicContact CB-CD1 3.44Å; A379-L470 VanDerWaalsContact CB-CD1 3.44Å; L430-L470 HydrophobicContact CD1-CD1 3.91Å; C433-L470 HydrophobicContact CB-CD2 3.77Å; C433-L470 WeakPolarHBondContact SG-CD2 3.33Å; I437-L470 HydrophobicContact CD1-CD2 3.6Å; I437-L470 HydrophobicContact CD1-CG 4.41Å; V466-L470 WeakPolarHBondContact O-CB 3.31Å; V466-L470 PolarHBondContact O-N 3.24Å; I467-L470 PolarHBondContact O-N 3.17Å; L470-R472 PolarHBondContact O-N 2.83Å; L470-S473 WeakPolarHBondContact CA-OG 3.39Å; L470-S473 PolarHBondContact O-N 3.32Å; L470-S473 PolarHBondContact O-OG 3.22Å; L470-L474 HydrophobicContact CD1-CD1 3.52Å; L470-L474 HydrophobicContact CD1-CG 4.03Å; L470-L474 HydrophobicContact CG-CD1 4.04Å; L470-L474 PolarHBondContact O-N 2.86Å |
| 471 | V | 91.9 | Very high | 89.6 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 15% | 0.145 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -31.7 | 178.3 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | I467 L476 V481 L484 | I467-V471 HydrophobicContact CG2-CG2 4.33Å; I467-V471 WeakPolarHBondContact O-CB 3.48Å; I467-V471 WeakPolarHBondContact O-CG2 3.49Å; I467-V471 PolarHBondContact O-N 2.86Å; V471-L476 HydrophobicContact CG2-CD1 4.35Å; V471-V481 HydrophobicContact CG1-CG1 3.92Å; V471-V481 HydrophobicContact CG1-CG2 4.28Å; V471-L484 HydrophobicContact CG2-CB 4.12Å; V471-L484 HydrophobicContact CG2-CD1 3.57Å |
| 472 | R | 90 | Very high | 89.2 | Confident | 107 Ų | 107 | 37.8 Ų | 37.8 | 40% | 0.404 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -82 | -24 | 176.2 | -167.1 | -170.7 | 52.8 | 56.6 | 8 | 113.3 | D386 E468 V469 L470 | D386-R472 IonicContact OD1-NH1 2.74Å; D386-R472 IonicContact OD2-CZ 3.94Å; D386-R472 IonicContact OD2-NH1 2.95Å; D386-R472 PolarHBondContact OD2-NH1 3.39Å; D386-R472 IonicContact OD2-NH2 2.93Å; D386-R472 PolarHBondContact OD2-NH2 3.47Å; E468-R472 VanDerWaalsContact O-CB 3.24Å; E468-R472 WeakPolarHBondContact O-CB 3.25Å; E468-R472 PolarHBondContact O-N 3.38Å; V469-R472 PolarHBondContact O-N 3.08Å; L470-R472 PolarHBondContact O-N 2.83Å |
| 473 | S | 89.3 | Confident | 89.1 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 8% | 0.077 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -93.3 | -14.8 | -177.3 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | N382 V469 L470 | N382-S473 WeakPolarHBondContact CB-O 3.42Å; N382-S473 PolarHBondContact ND2-O 2.92Å; V469-S473 WeakPolarHBondContact O-CB 3.45Å; V469-S473 PolarHBondContact O-N 3.26Å; V469-S473 VanDerWaalsContact O-N 3.09Å; V469-S473 PolarHBondContact O-OG 3.08Å; L470-S473 WeakPolarHBondContact CA-OG 3.39Å; L470-S473 PolarHBondContact O-N 3.32Å; L470-S473 PolarHBondContact O-OG 3.22Å |
| 474 | L | 90.6 | Very high | 88.9 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -124.4 | 139 | -178.7 | -64.3 | -177.4 | 0 | 0 | 0 | 110.8 | L375 M378 A379 L470 L476 | L375-L474 HydrophobicContact CD1-CD1 3.78Å; M378-L474 HydrophobicContact CG-CD2 3.95Å; M378-L474 HydrophobicContact SD-CD2 3.76Å; A379-L474 HydrophobicContact CB-CD1 4.27Å; A379-L474 HydrophobicContact CB-CD2 4.37Å; A379-L474 HydrophobicContact CB-CG 4.45Å; L470-L474 HydrophobicContact CD1-CD1 3.52Å; L470-L474 HydrophobicContact CD1-CG 4.03Å; L470-L474 HydrophobicContact CG-CD1 4.04Å; L470-L474 PolarHBondContact O-N 2.86Å; L474-L476 VanDerWaalsContact C-N 3.35Å; L474-L476 HydrophobicContact CB-CD1 4.36Å; L474-L476 HydrophobicContact CB-CD2 3.98Å; L474-L476 HydrophobicContact CB-CG 3.79Å; L474-L476 HydrophobicContact CD1-CD2 4.13Å; L474-L476 PolarHBondContact O-N 3.19Å |
| 475 | D | 88.8 | Confident | 88.7 | Confident | 151 Ų | 151 | 38 Ų | 38 | 81% | 0.807 | 18% | 0.18 | S | C | * | . | trans | -79.1 | 84.9 | 170.7 | -169.8 | 20.1 | 0 | 0 | 0 | 109.4 | ||||
| 476 | L | 89.2 | Confident | 88.6 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | trans | -92.6 | 144.2 | -174.4 | -66.8 | 176 | 0 | 0 | 0 | 112.1 | I437 V471 L474 R478 I480 V481 L484 | I437-L476 HydrophobicContact CD1-CD1 3.82Å; I437-L476 HydrophobicContact CD1-CD2 4.13Å; V471-L476 HydrophobicContact CG2-CD1 4.35Å; L474-L476 VanDerWaalsContact C-N 3.35Å; L474-L476 HydrophobicContact CB-CD1 4.36Å; L474-L476 HydrophobicContact CB-CD2 3.98Å; L474-L476 HydrophobicContact CB-CG 3.79Å; L474-L476 HydrophobicContact CD1-CD2 4.13Å; L474-L476 PolarHBondContact O-N 3.19Å; L476-R478 PolarHBondContact O-N 3Å; L476-I480 HydrophobicContact CD1-CG2 4.29Å; L476-V481 HydrophobicContact CB-CG2 3.79Å; L476-L484 HydrophobicContact CD1-CD1 4.09Å | ||
| 477 | P | 85.9 | Confident | 88.4 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | trans | -51.7 | 136.6 | 171 | -27 | 35.1 | 0 | 0 | 0 | 112.1 | Q293 E479 I480 V481 | Q293-P477 HydrophobicContact CB-CG 4.42Å; P477-E479 PolarHBondContact O-N 3.02Å; P477-I480 HydrophobicContact CB-CD1 4.39Å; P477-I480 HydrophobicContact CB-CG1 4.45Å; P477-I480 HydrophobicContact CG-CD1 4.13Å; P477-I480 WeakPolarHBondContact O-CA 3.48Å; P477-I480 WeakPolarHBondContact O-CB 3.16Å; P477-I480 PolarHBondContact O-N 3.03Å; P477-V481 PolarHBondContact O-N 2.87Å; P477-V481 VanDerWaalsContact O-N 3.07Å | ||
| 478 | R | 80.9 | Confident | 88.4 | Confident | 129 Ų | 129 | 40 Ų | 40 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -51.8 | -34.1 | -175.1 | 173.8 | 169.5 | 161.8 | -93.5 | -0.5 | 113.9 | L476 V481 K482 Y604 | L476-R478 PolarHBondContact O-N 3Å; R478-V481 PolarHBondContact O-N 3.06Å; R478-K482 WeakPolarHBondContact O-CB 3.32Å; R478-K482 PolarHBondContact O-N 2.95Å; R478-Y604 VanDerWaalsContact NH2-CZ 3.3Å; R478-Y604 PolarHBondContact NH2-OH 3.29Å |
| 479 | E | 81.2 | Confident | 88.4 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.308 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.4 | -39.3 | 177.4 | -62.5 | -45.3 | 131.8 | 0 | 0 | 112.3 | V279 P477 K482 Y483 | V279-E479 HydrophobicContact CG1-CB 3.7Å; V279-E479 WeakPolarHBondContact CG1-O 3.29Å; P477-E479 PolarHBondContact O-N 3.02Å; E479-K482 PolarHBondContact O-N 2.87Å; E479-Y483 PolarHBondContact O-N 3.12Å |
| 480 | I | 88 | Confident | 88.4 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 173.4 | -64.2 | 177.5 | 0 | 0 | 0 | 110.7 | F281 N290 I437 L476 P477 K482 Y483 L484 | F281-I480 HydrophobicContact CE1-CG1 4.05Å; F281-I480 HydrophobicContact CZ-CG1 4.06Å; N290-I480 HydrophobicContact CB-CD1 4.42Å; I437-I480 HydrophobicContact CD1-CG2 4.49Å; I437-I480 HydrophobicContact CG1-CG2 4.07Å; I437-I480 HydrophobicContact CG2-CD1 4.36Å; I437-I480 HydrophobicContact CG2-CG2 4.47Å; L476-I480 HydrophobicContact CD1-CG2 4.29Å; P477-I480 HydrophobicContact CB-CD1 4.39Å; P477-I480 HydrophobicContact CB-CG1 4.45Å; P477-I480 HydrophobicContact CG-CD1 4.13Å; P477-I480 WeakPolarHBondContact O-CA 3.48Å; P477-I480 WeakPolarHBondContact O-CB 3.16Å; P477-I480 PolarHBondContact O-N 3.03Å; I480-K482 VanDerWaalsContact C-N 3.34Å; I480-K482 PolarHBondContact O-N 3.01Å; I480-Y483 PolarHBondContact O-N 2.7Å; I480-L484 HydrophobicContact CG2-CD1 4.12Å; I480-L484 HydrophobicContact CG2-CG 4.48Å; I480-L484 WeakPolarHBondContact O-CG 3.46Å; I480-L484 PolarHBondContact O-N 3.25Å |
| 481 | V | 87.7 | Confident | 88.4 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 173.7 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | V471 L476 P477 R478 Y483 L484 N485 | V471-V481 HydrophobicContact CG1-CG1 3.92Å; V471-V481 HydrophobicContact CG1-CG2 4.28Å; L476-V481 HydrophobicContact CB-CG2 3.79Å; P477-V481 PolarHBondContact O-N 2.87Å; P477-V481 VanDerWaalsContact O-N 3.07Å; R478-V481 PolarHBondContact O-N 3.06Å; V481-Y483 VanDerWaalsContact C-N 3.33Å; V481-Y483 PolarHBondContact O-N 3.36Å; V481-L484 PolarHBondContact O-N 2.87Å; V481-N485 VanDerWaalsContact O-CG 3.27Å; V481-N485 PolarHBondContact O-N 2.82Å; V481-N485 PolarHBondContact O-ND2 2.98Å |
| 482 | K | 84.2 | Confident | 88.5 | Confident | 69 Ų | 69 | 43.3 Ų | 43.3 | 30% | 0.3 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 177.3 | -176.5 | 176.7 | 175.4 | -170.6 | 0 | 112.2 | G277 V279 R478 E479 I480 Q486 | G277-K482 PolarHBondContact O-NZ 3.35Å; V279-K482 HydrophobicContact CG2-CB 3.85Å; V279-K482 HydrophobicContact CG2-CD 3.75Å; V279-K482 HydrophobicContact CG2-CG 3.68Å; R478-K482 WeakPolarHBondContact O-CB 3.32Å; R478-K482 PolarHBondContact O-N 2.95Å; E479-K482 PolarHBondContact O-N 2.87Å; I480-K482 VanDerWaalsContact C-N 3.34Å; I480-K482 PolarHBondContact O-N 3.01Å; K482-Q486 PolarHBondContact O-N 2.75Å; K482-Q486 VanDerWaalsContact O-N 3.08Å |
| 483 | Y | 88.2 | Confident | 88.6 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 8% | 0.078 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -46.8 | 175.1 | 177 | -92.8 | 0 | 0 | 0 | 112.6 | F281 E436 L440 E479 I480 V481 N485 Q486 V487 | F281-Y483 HydrophobicContact CD2-CD2 4.12Å; F281-Y483 AromaticContact CE2-CD2 3.63Å; F281-Y483 HydrophobicContact CE2-CD2 3.63Å; F281-Y483 HydrophobicContact CE2-CE2 4.46Å; F281-Y483 AromaticContact CE2-CG 3.68Å; F281-Y483 HydrophobicContact CE2-CG 3.68Å; F281-Y483 HydrophobicContact CZ-CG 4.36Å; E436-Y483 HydrophobicContact CG-CE1 4.32Å; E436-Y483 PolarHBondContact OE1-OH 2.85Å; L440-Y483 HydrophobicContact CD1-CD1 3.33Å; L440-Y483 HydrophobicContact CD1-CE1 3.51Å; L440-Y483 HydrophobicContact CD1-CG 4.09Å; L440-Y483 HydrophobicContact CD2-CD1 3.82Å; L440-Y483 HydrophobicContact CD2-CD2 4.08Å; L440-Y483 HydrophobicContact CD2-CE1 3.55Å; L440-Y483 HydrophobicContact CD2-CE2 3.81Å; L440-Y483 HydrophobicContact CD2-CG 4.08Å; L440-Y483 HydrophobicContact CG-CD1 4.21Å; L440-Y483 HydrophobicContact CG-CE1 4.05Å; E479-Y483 PolarHBondContact O-N 3.12Å; I480-Y483 PolarHBondContact O-N 2.7Å; V481-Y483 VanDerWaalsContact C-N 3.33Å; V481-Y483 PolarHBondContact O-N 3.36Å; Y483-N485 VanDerWaalsContact C-N 3.26Å; Y483-N485 PolarHBondContact O-N 3.13Å; Y483-Q486 CarbonylContact O-C 3.59Å; Y483-Q486 WeakPolarHBondContact O-CA 3.41Å; Y483-Q486 WeakPolarHBondContact O-CB 3.46Å; Y483-Q486 PolarHBondContact O-N 3Å; Y483-V487 HydrophobicContact CD1-CG2 3.99Å; Y483-V487 HydrophobicContact CE1-CG2 3.41Å; Y483-V487 VanDerWaalsContact CE1-CG2 3.41Å; Y483-V487 HydrophobicContact CE2-CG2 4.29Å; Y483-V487 PolarHBondContact O-N 2.89Å |
| 484 | L | 90.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -35 | 178.9 | -72.6 | 175.1 | 0 | 0 | 0 | 111.8 | I437 I467 V471 L476 I480 V481 V487 V488 | I437-L484 HydrophobicContact CD1-CD1 4.18Å; I437-L484 HydrophobicContact CG1-CD1 4.34Å; I467-L484 HydrophobicContact CG2-CB 3.78Å; I467-L484 HydrophobicContact CG2-CD2 4.38Å; I467-L484 HydrophobicContact CG2-CG 4.49Å; V471-L484 HydrophobicContact CG2-CB 4.12Å; V471-L484 HydrophobicContact CG2-CD1 3.57Å; L476-L484 HydrophobicContact CD1-CD1 4.09Å; I480-L484 HydrophobicContact CG2-CD1 4.12Å; I480-L484 HydrophobicContact CG2-CG 4.48Å; I480-L484 WeakPolarHBondContact O-CG 3.46Å; I480-L484 PolarHBondContact O-N 3.25Å; V481-L484 PolarHBondContact O-N 2.87Å; L484-V487 PolarHBondContact O-N 3.47Å; L484-V488 WeakPolarHBondContact O-CG2 3.41Å; L484-V488 PolarHBondContact O-N 3.43Å |
| 485 | N | 88.7 | Confident | 88.8 | Confident | 40 Ų | 40 | 41.6 Ų | 41.6 | 21% | 0.214 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 169.8 | -67.3 | -28.5 | 0 | 0 | 0 | 112.5 | V481 Y483 V487 V488 E489 L606 | V481-N485 VanDerWaalsContact O-CG 3.27Å; V481-N485 PolarHBondContact O-N 2.82Å; V481-N485 PolarHBondContact O-ND2 2.98Å; Y483-N485 VanDerWaalsContact C-N 3.26Å; Y483-N485 PolarHBondContact O-N 3.13Å; N485-V487 VanDerWaalsContact C-N 3.33Å; N485-V487 PolarHBondContact O-N 2.89Å; N485-V488 WeakPolarHBondContact O-CB 3.35Å; N485-V488 PolarHBondContact O-N 2.93Å; N485-E489 PolarHBondContact O-N 3.28Å; N485-L606 WeakPolarHBondContact OD1-CD2 3.34Å |
| 486 | Q | 88.2 | Confident | 89.1 | Confident | 67 Ų | 67 | 34.4 Ų | 34.4 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 174.7 | -172.2 | 177.1 | 12.7 | 0 | 0 | 112 | K482 Y483 E489 F490 | K482-Q486 PolarHBondContact O-N 2.75Å; K482-Q486 VanDerWaalsContact O-N 3.08Å; Y483-Q486 CarbonylContact O-C 3.59Å; Y483-Q486 WeakPolarHBondContact O-CA 3.41Å; Y483-Q486 WeakPolarHBondContact O-CB 3.46Å; Y483-Q486 PolarHBondContact O-N 3Å; Q486-E489 PolarHBondContact O-N 3.42Å; Q486-F490 HydrophobicContact CG-CD2 4.48Å; Q486-F490 HydrophobicContact CG-CE1 4.24Å; Q486-F490 HydrophobicContact CG-CE2 3.84Å; Q486-F490 HydrophobicContact CG-CZ 3.7Å; Q486-F490 WeakPolarHBondContact O-CD2 3.29Å; Q486-F490 WeakPolarHBondContact O-CG 3.42Å; Q486-F490 PolarHBondContact O-N 3.24Å |
| 487 | V | 89.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 173 | 173 | 0 | 0 | 0 | 0 | 111.4 | F449 F463 I467 Y483 L484 N485 E489 F490 I491 | F449-V487 HydrophobicContact CB-CG1 4.37Å; F449-V487 HydrophobicContact CB-CG2 4.09Å; F449-V487 HydrophobicContact CD1-CG1 3.97Å; F449-V487 HydrophobicContact CD1-CG2 4.11Å; F449-V487 HydrophobicContact CD2-CG1 3.55Å; F449-V487 HydrophobicContact CE1-CG1 4.12Å; F449-V487 HydrophobicContact CE2-CG1 3.69Å; F449-V487 HydrophobicContact CG-CG1 3.7Å; F449-V487 HydrophobicContact CG-CG2 4.06Å; F449-V487 HydrophobicContact CZ-CG1 3.99Å; F463-V487 HydrophobicContact CD1-CG1 4.34Å; F463-V487 HydrophobicContact CE1-CG1 3.93Å; I467-V487 HydrophobicContact CD1-CG1 4Å; Y483-V487 HydrophobicContact CD1-CG2 3.99Å; Y483-V487 HydrophobicContact CE1-CG2 3.41Å; Y483-V487 VanDerWaalsContact CE1-CG2 3.41Å; Y483-V487 HydrophobicContact CE2-CG2 4.29Å; Y483-V487 PolarHBondContact O-N 2.89Å; L484-V487 PolarHBondContact O-N 3.47Å; N485-V487 VanDerWaalsContact C-N 3.33Å; N485-V487 PolarHBondContact O-N 2.89Å; V487-E489 VanDerWaalsContact C-N 3.35Å; V487-E489 PolarHBondContact O-N 2.88Å; V487-F490 PolarHBondContact O-N 3.47Å; V487-I491 HydrophobicContact CG1-CD1 3.99Å; V487-I491 VanDerWaalsContact O-CG1 3.29Å; V487-I491 WeakPolarHBondContact O-CG1 3.43Å; V487-I491 PolarHBondContact O-N 2.9Å |
| 488 | V | 91.8 | Very high | 89.8 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 171.4 | 165.2 | 0 | 0 | 0 | 0 | 111.1 | Y464 I467 L484 N485 F490 I491 L492 | Y464-V488 HydrophobicContact CD2-CG1 4Å; Y464-V488 HydrophobicContact CD2-CG2 4.31Å; Y464-V488 HydrophobicContact CE2-CG1 3.85Å; I467-V488 HydrophobicContact CB-CG2 4.07Å; I467-V488 HydrophobicContact CD1-CG2 3.78Å; I467-V488 HydrophobicContact CG2-CG2 3.8Å; L484-V488 WeakPolarHBondContact O-CG2 3.41Å; L484-V488 PolarHBondContact O-N 3.43Å; N485-V488 WeakPolarHBondContact O-CB 3.35Å; N485-V488 PolarHBondContact O-N 2.93Å; V488-F490 PolarHBondContact O-N 3.42Å; V488-I491 PolarHBondContact O-N 3.33Å; V488-I491 VanDerWaalsContact O-N 3.13Å; V488-L492 HydrophobicContact CG1-CD1 3.68Å; V488-L492 HydrophobicContact CG1-CG 4.27Å; V488-L492 WeakPolarHBondContact O-CG 3.44Å; V488-L492 PolarHBondContact O-N 2.88Å |
| 489 | E | 89.1 | Confident | 90.3 | Very high | 75 Ų | 75 | 32.4 Ų | 32.4 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 176.1 | -76.2 | -166.9 | -129.2 | 0 | 0 | 112.9 | N485 Q486 V487 I491 L492 D493 V721 R725 | N485-E489 PolarHBondContact O-N 3.28Å; Q486-E489 PolarHBondContact O-N 3.42Å; V487-E489 VanDerWaalsContact C-N 3.35Å; V487-E489 PolarHBondContact O-N 2.88Å; E489-I491 VanDerWaalsContact C-N 3.28Å; E489-I491 PolarHBondContact O-N 3.16Å; E489-L492 PolarHBondContact O-N 3.37Å; E489-D493 WeakPolarHBondContact O-CB 3.41Å; E489-D493 PolarHBondContact O-N 3.43Å; E489-V721 HydrophobicContact CG-CG2 4.48Å; E489-R725 IonicContact OE2-CZ 3.19Å; E489-R725 IonicContact OE2-NE 2.64Å; E489-R725 IonicContact OE2-NH2 3.89Å; E489-R725 PolarHBondContact OE2-NH2 3.18Å |
| 490 | F | 90.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 175.1 | -63.9 | -32.4 | 0 | 0 | 0 | 112.3 | F449 Q486 V487 V488 S494 Y495 | F449-F490 HydrophobicContact CD1-CD2 4.27Å; F449-F490 HydrophobicContact CE1-CB 3.95Å; F449-F490 HydrophobicContact CE1-CD2 4.04Å; F449-F490 HydrophobicContact CE1-CG 4.49Å; F449-F490 HydrophobicContact CZ-CB 4.48Å; Q486-F490 HydrophobicContact CG-CD2 4.48Å; Q486-F490 HydrophobicContact CG-CE1 4.24Å; Q486-F490 HydrophobicContact CG-CE2 3.84Å; Q486-F490 HydrophobicContact CG-CZ 3.7Å; Q486-F490 WeakPolarHBondContact O-CD2 3.29Å; Q486-F490 WeakPolarHBondContact O-CG 3.42Å; Q486-F490 PolarHBondContact O-N 3.24Å; V487-F490 PolarHBondContact O-N 3.47Å; V488-F490 PolarHBondContact O-N 3.42Å; F490-S494 PolarHBondContact O-N 3.29Å; F490-Y495 HydrophobicContact CB-CD2 4.01Å; F490-Y495 HydrophobicContact CB-CE2 4.09Å; F490-Y495 WeakPolarHBondContact O-CD2 3.41Å; F490-Y495 PolarHBondContact O-N 3.44Å |
| 491 | I | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -67.1 | -46.7 | 176.7 | -60.8 | 161.9 | 0 | 0 | 0 | 110.6 | F449 F463 I467 V487 V488 E489 D493 A496 | F449-I491 HydrophobicContact CE2-CD1 4.13Å; F449-I491 HydrophobicContact CE2-CG1 3.98Å; F449-I491 HydrophobicContact CZ-CD1 4.37Å; F449-I491 HydrophobicContact CZ-CG1 3.76Å; F463-I491 HydrophobicContact CD1-CD1 4.01Å; I467-I491 HydrophobicContact CD1-CD1 4.08Å; V487-I491 HydrophobicContact CG1-CD1 3.99Å; V487-I491 VanDerWaalsContact O-CG1 3.29Å; V487-I491 WeakPolarHBondContact O-CG1 3.43Å; V487-I491 PolarHBondContact O-N 2.9Å; V488-I491 PolarHBondContact O-N 3.33Å; V488-I491 VanDerWaalsContact O-N 3.13Å; E489-I491 VanDerWaalsContact C-N 3.28Å; E489-I491 PolarHBondContact O-N 3.16Å; I491-D493 PolarHBondContact O-N 3.16Å; I491-A496 HydrophobicContact CG2-CB 3.98Å; I491-A496 WeakPolarHBondContact O-CB 3.42Å; I491-A496 PolarHBondContact O-N 3.26Å |
| 492 | L | 94 | Very high | 91.2 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -66.5 | -32.1 | 179.9 | -66.7 | 170 | 0 | 0 | 0 | 113.3 | Y464 V488 E489 W497 F714 Q717 V721 | Y464-L492 HydrophobicContact CD2-CD2 4.37Å; Y464-L492 HydrophobicContact CE2-CD1 4.36Å; Y464-L492 HydrophobicContact CE2-CD2 3.82Å; Y464-L492 HydrophobicContact CE2-CG 4.18Å; V488-L492 HydrophobicContact CG1-CD1 3.68Å; V488-L492 HydrophobicContact CG1-CG 4.27Å; V488-L492 WeakPolarHBondContact O-CG 3.44Å; V488-L492 PolarHBondContact O-N 2.88Å; E489-L492 PolarHBondContact O-N 3.37Å; L492-W497 PolarHBondContact O-NE1 2.97Å; L492-F714 HydrophobicContact CD2-CD2 3.7Å; L492-F714 HydrophobicContact CD2-CE2 3.55Å; L492-F714 HydrophobicContact CD2-CG 4.38Å; L492-F714 HydrophobicContact CD2-CZ 4.11Å; L492-Q717 HydrophobicContact CD1-CB 3.71Å; L492-Q717 HydrophobicContact CD2-CB 4.15Å; L492-V721 HydrophobicContact CD1-CG2 3.94Å |
| 493 | D | 92.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -95 | -24.8 | -176.8 | 75.1 | 28.3 | 0 | 0 | 0 | 115.4 | E489 I491 R725 C762 L763 | E489-D493 WeakPolarHBondContact O-CB 3.41Å; E489-D493 PolarHBondContact O-N 3.43Å; I491-D493 PolarHBondContact O-N 3.16Å; D493-R725 VanDerWaalsContact CB-NH1 3.3Å; D493-R725 IonicContact OD2-CZ 3.45Å; D493-R725 IonicContact OD2-NH1 2.7Å; D493-R725 PolarHBondContact OD2-NH1 2.88Å; D493-R725 IonicContact OD2-NH2 3.47Å; D493-R725 PolarHBondContact OD2-NH2 2.8Å; D493-C762 CarbonylContact O-C 3Å; D493-C762 WeakPolarHBondContact O-CA 3.26Å; D493-L763 HydrophobicContact CB-CB 3.97Å; D493-L763 PolarHBondContact O-N 3.02Å |
| 494 | S | 92.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -145 | -48.5 | -171.6 | -55.2 | 0 | 0 | 0 | 0 | 115.2 | F490 W497 | F490-S494 PolarHBondContact O-N 3.29Å; S494-W497 PolarHBondContact O-N 3.02Å |
| 495 | Y | 92.6 | Very high | 92.2 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 19% | 0.192 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -74.8 | -37.2 | -168.7 | -73.3 | -102.2 | 0 | 0 | 0 | 113.4 | F449 P450 S460 F490 W497 R498 | F449-Y495 AromaticContact CE1-CD2 3.93Å; F449-Y495 HydrophobicContact CE1-CD2 3.93Å; F449-Y495 HydrophobicContact CE1-CE1 4.35Å; F449-Y495 AromaticContact CE1-CE2 3.71Å; F449-Y495 HydrophobicContact CE1-CE2 3.71Å; F449-Y495 HydrophobicContact CE1-CG 4.35Å; F449-Y495 AromaticContact CE1-CZ 3.94Å; F449-Y495 HydrophobicContact CZ-CD1 4.1Å; F449-Y495 AromaticContact CZ-CD2 3.84Å; F449-Y495 HydrophobicContact CZ-CD2 3.84Å; F449-Y495 HydrophobicContact CZ-CE1 4.32Å; F449-Y495 HydrophobicContact CZ-CE2 4.07Å; F449-Y495 AromaticContact CZ-CG 3.86Å; F449-Y495 HydrophobicContact CZ-CG 3.86Å; P450-Y495 HydrophobicContact CB-CD1 4.09Å; P450-Y495 HydrophobicContact CB-CE1 3.31Å; P450-Y495 HydrophobicContact CG-CE1 3.63Å; P450-Y495 WeakPolarHBondContact CG-OH 3.14Å; S460-Y495 VanDerWaalsContact OG-C 3.27Å; S460-Y495 PolarHBondContact OG-O 3.48Å; F490-Y495 HydrophobicContact CB-CD2 4.01Å; F490-Y495 HydrophobicContact CB-CE2 4.09Å; F490-Y495 WeakPolarHBondContact O-CD2 3.41Å; F490-Y495 PolarHBondContact O-N 3.44Å; Y495-W497 PolarHBondContact O-N 3.3Å; Y495-R498 VanDerWaalsContact CE1-CZ 3.4Å; Y495-R498 WeakPolarHBondContact O-CG 3.33Å; Y495-R498 PolarHBondContact O-N 3.5Å |
| 496 | A | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S460 V461 I491 S501 I503 F714 | S460-A496 PolarHBondContact OG-N 3.01Å; V461-A496 HydrophobicContact CG2-CB 3.97Å; I491-A496 HydrophobicContact CG2-CB 3.98Å; I491-A496 WeakPolarHBondContact O-CB 3.42Å; I491-A496 PolarHBondContact O-N 3.26Å; A496-S501 WeakPolarHBondContact O-CB 3.36Å; A496-S501 PolarHBondContact O-OG 3.03Å; A496-I503 WeakPolarHBondContact O-CG2 3.43Å; A496-F714 HydrophobicContact CB-CE2 3.63Å; A496-F714 HydrophobicContact CB-CZ 3.42Å; A496-F714 VanDerWaalsContact CB-CZ 3.42Å |
| 497 | W | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.5 | -179.2 | -45.7 | 113.6 | 0 | 0 | 0 | 114 | L492 S494 Y495 I503 W504 F714 F715 T718 T755 L758 R759 D760 | L492-W497 PolarHBondContact O-NE1 2.97Å; S494-W497 PolarHBondContact O-N 3.02Å; Y495-W497 PolarHBondContact O-N 3.3Å; W497-I503 HydrophobicContact CE3-CG2 4.24Å; W497-I503 HydrophobicContact CZ3-CG1 4.16Å; W497-I503 HydrophobicContact CZ3-CG2 4.44Å; W497-W504 HydrophobicContact CB-CZ2 4.42Å; W497-W504 HydrophobicContact CE3-CH2 4.32Å; W497-W504 HydrophobicContact CE3-CZ2 4.36Å; W497-W504 WeakPolarHBondContact O-CZ2 3.31Å; W497-F714 AromaticContact CH2-CE1 3.67Å; W497-F714 HydrophobicContact CH2-CE1 3.67Å; W497-F714 HydrophobicContact CH2-CZ 4.19Å; W497-F714 AromaticContact CZ2-CE1 3.77Å; W497-F714 HydrophobicContact CZ2-CE1 3.77Å; W497-F714 AromaticContact CZ2-CZ 3.91Å; W497-F714 HydrophobicContact CZ2-CZ 3.91Å; W497-F714 HydrophobicContact CZ3-CE1 4.49Å; W497-F715 AromaticContact CH2-CE1 3.79Å; W497-F715 HydrophobicContact CH2-CE1 3.79Å; W497-F715 AromaticContact CH2-CZ 3.8Å; W497-F715 HydrophobicContact CH2-CZ 3.8Å; W497-F715 HydrophobicContact CZ3-CZ 4.23Å; W497-T718 HydrophobicContact CZ2-CG2 4.07Å; W497-T755 HydrophobicContact CZ3-CG2 4.03Å; W497-L758 HydrophobicContact CB-CB 4.12Å; W497-L758 VanDerWaalsContact CB-O 3.24Å; W497-L758 WeakPolarHBondContact CB-O 3.37Å; W497-L758 HydrophobicContact CD2-CB 3.89Å; W497-L758 HydrophobicContact CD2-CD1 3.99Å; W497-L758 HydrophobicContact CD2-CG 4.49Å; W497-L758 HydrophobicContact CE3-CB 4.07Å; W497-L758 HydrophobicContact CE3-CD1 4.04Å; W497-L758 HydrophobicContact CG-CB 3.9Å; W497-L758 HydrophobicContact CH2-CD1 4Å; W497-L758 HydrophobicContact CZ2-CD1 3.97Å; W497-L758 HydrophobicContact CZ3-CD1 4.04Å; W497-R759 WeakPolarHBondContact O-CA 3.03Å; W497-D760 PolarHBondContact O-N 3.47Å |
| 498 | R | 93.8 | Very high | 92.6 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -59.8 | 145.5 | 173 | -71.9 | 178.5 | 167.8 | -160.4 | -6.1 | 110.8 | E454 Y495 N500 S501 W504 D760 | E454-R498 IonicContact OE1-CZ 3.23Å; E454-R498 IonicContact OE1-NH1 2.83Å; E454-R498 PolarHBondContact OE1-NH1 3.36Å; E454-R498 IonicContact OE1-NH2 3.47Å; Y495-R498 VanDerWaalsContact CE1-CZ 3.4Å; Y495-R498 WeakPolarHBondContact O-CG 3.33Å; Y495-R498 PolarHBondContact O-N 3.5Å; R498-N500 WeakPolarHBondContact CB-OD1 3.48Å; R498-N500 PolarHBondContact O-N 2.87Å; R498-N500 VanDerWaalsContact O-N 3.08Å; R498-S501 WeakPolarHBondContact O-CB 3.36Å; R498-S501 PolarHBondContact O-N 2.87Å; R498-W504 PolarHBondContact O-NE1 2.87Å; R498-D760 WeakPolarHBondContact CA-OD1 3.2Å |
| 499 | T | 92.5 | Very high | 92.6 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.4 | -177.8 | -83 | 0 | 0 | 0 | 0 | 114 | S501 R759 D760 R810 | T499-S501 VanDerWaalsContact C-N 3.32Å; T499-R759 VanDerWaalsContact OG1-CD 3.3Å; T499-R759 WeakPolarHBondContact OG1-CD 3.47Å; T499-R759 VanDerWaalsContact OG1-CG 3.28Å; T499-R759 WeakPolarHBondContact OG1-CG 3.47Å; T499-D760 VanDerWaalsContact CB-OD2 3.23Å; T499-D760 WeakPolarHBondContact CB-OD2 3.31Å; T499-D760 PolarHBondContact N-OD1 2.75Å; T499-D760 PolarHBondContact OG1-OD2 3.27Å; T499-R810 PolarHBondContact OG1-NH1 3.31Å |
| 500 | N | 88.8 | Confident | 92.5 | Very high | 131 Ų | 131 | 45.7 Ų | 45.7 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.4 | 178.9 | 67.2 | -45.2 | 0 | 0 | 0 | 114.3 | R498 | R498-N500 WeakPolarHBondContact CB-OD1 3.48Å; R498-N500 PolarHBondContact O-N 2.87Å; R498-N500 VanDerWaalsContact O-N 3.08Å |
| 501 | S | 94.4 | Very high | 92.5 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | trans | -73.2 | 142 | -177.7 | 175.6 | 0 | 0 | 0 | 0 | 113.3 | D459 A496 R498 T499 I503 W504 | D459-S501 WeakPolarHBondContact OD2-CA 3.48Å; A496-S501 WeakPolarHBondContact O-CB 3.36Å; A496-S501 PolarHBondContact O-OG 3.03Å; R498-S501 WeakPolarHBondContact O-CB 3.36Å; R498-S501 PolarHBondContact O-N 2.87Å; T499-S501 VanDerWaalsContact C-N 3.32Å; S501-I503 PolarHBondContact O-N 3.28Å; S501-I503 VanDerWaalsContact O-N 3.16Å; S501-I503 PolarHBondContact OG-N 3.22Å; S501-I503 VanDerWaalsContact OG-N 3.11Å; S501-W504 VanDerWaalsContact O-CD1 3.27Å; S501-W504 PolarHBondContact O-N 2.97Å | ||
| 502 | S | 93.1 | Very high | 92.5 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.4 | 170.7 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | D459 W504 S505 V506 | D459-S502 VanDerWaalsContact CG-OG 3.23Å; D459-S502 PolarHBondContact OD1-OG 3.38Å; D459-S502 PolarHBondContact OD2-N 3.19Å; S502-W504 PolarHBondContact O-N 3.08Å; S502-S505 PolarHBondContact O-N 3.37Å; S502-S505 PolarHBondContact O-OG 3.44Å; S502-V506 WeakPolarHBondContact O-CG2 3.16Å; S502-V506 PolarHBondContact O-N 2.93Å |
| 503 | I | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 174.2 | -151.7 | 74.4 | 0 | 0 | 0 | 111.5 | V461 A496 W497 S501 V506 L507 I711 F714 | V461-I503 HydrophobicContact CG1-CD1 4.42Å; V461-I503 HydrophobicContact CG2-CB 4.25Å; V461-I503 HydrophobicContact CG2-CD1 4.28Å; A496-I503 WeakPolarHBondContact O-CG2 3.43Å; W497-I503 HydrophobicContact CE3-CG2 4.24Å; W497-I503 HydrophobicContact CZ3-CG1 4.16Å; W497-I503 HydrophobicContact CZ3-CG2 4.44Å; S501-I503 PolarHBondContact O-N 3.28Å; S501-I503 VanDerWaalsContact O-N 3.16Å; S501-I503 PolarHBondContact OG-N 3.22Å; S501-I503 VanDerWaalsContact OG-N 3.11Å; I503-V506 PolarHBondContact O-N 2.89Å; I503-L507 HydrophobicContact CG1-CD1 4.09Å; I503-L507 HydrophobicContact CG1-CG 4.38Å; I503-L507 HydrophobicContact CG2-CD1 4.44Å; I503-L507 WeakPolarHBondContact O-CB 3.28Å; I503-L507 VanDerWaalsContact O-CG 3.27Å; I503-L507 WeakPolarHBondContact O-CG 3.25Å; I503-L507 PolarHBondContact O-N 3.45Å; I503-I711 HydrophobicContact CD1-CD1 3.49Å; I503-I711 VanDerWaalsContact CD1-CD1 3.49Å; I503-F714 HydrophobicContact CD1-CD1 3.84Å; I503-F714 HydrophobicContact CD1-CE1 3.7Å; I503-F714 HydrophobicContact CD1-CG 4.43Å; I503-F714 HydrophobicContact CD1-CZ 4.18Å; I503-F714 HydrophobicContact CG1-CE1 4.38Å |
| 504 | W | 95.7 | Very high | 92.4 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 10% | 0.095 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.6 | -35.1 | -173.5 | -57.1 | 110.8 | 0 | 0 | 0 | 112.5 | W497 R498 S501 S502 L507 K508 T755 E756 R759 | W497-W504 HydrophobicContact CB-CZ2 4.42Å; W497-W504 HydrophobicContact CE3-CH2 4.32Å; W497-W504 HydrophobicContact CE3-CZ2 4.36Å; W497-W504 WeakPolarHBondContact O-CZ2 3.31Å; R498-W504 PolarHBondContact O-NE1 2.87Å; S501-W504 VanDerWaalsContact O-CD1 3.27Å; S501-W504 PolarHBondContact O-N 2.97Å; S502-W504 PolarHBondContact O-N 3.08Å; W504-L507 HydrophobicContact CE3-CD1 4.25Å; W504-L507 HydrophobicContact CZ3-CD1 4.37Å; W504-K508 VanDerWaalsContact O-CB 3.29Å; W504-K508 WeakPolarHBondContact O-CB 3.4Å; W504-K508 PolarHBondContact O-N 2.94Å; W504-T755 HydrophobicContact CZ3-CG2 4.38Å; W504-E756 WeakPolarHBondContact CZ3-OE1 3.26Å; W504-R759 HydrophobicContact CH2-CB 3.87Å; W504-R759 HydrophobicContact CH2-CG 4.47Å; W504-R759 HydrophobicContact CZ2-CB 3.76Å; W504-R759 HydrophobicContact CZ2-CG 3.97Å |
| 505 | S | 93.5 | Very high | 92.5 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.7 | -38 | 173.2 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | S502 K508 A509 | S502-S505 PolarHBondContact O-N 3.37Å; S502-S505 PolarHBondContact O-OG 3.44Å; S505-K508 PolarHBondContact O-N 3.37Å; S505-A509 WeakPolarHBondContact O-CB 3.45Å; S505-A509 PolarHBondContact O-N 3.33Å |
| 506 | V | 89.8 | Confident | 92.6 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | S502 I503 K508 A509 T510 I711 | S502-V506 WeakPolarHBondContact O-CG2 3.16Å; S502-V506 PolarHBondContact O-N 2.93Å; I503-V506 PolarHBondContact O-N 2.89Å; V506-K508 VanDerWaalsContact C-N 3.34Å; V506-K508 PolarHBondContact O-N 2.98Å; V506-A509 WeakPolarHBondContact O-CB 3.27Å; V506-A509 PolarHBondContact O-N 3.08Å; V506-A509 VanDerWaalsContact O-N 3.09Å; V506-T510 HydrophobicContact CG1-CG2 4.45Å; V506-T510 PolarHBondContact O-N 2.8Å; V506-T510 PolarHBondContact O-OG1 3.16Å; V506-I711 HydrophobicContact CG1-CB 4.13Å; V506-I711 HydrophobicContact CG1-CD1 3.82Å; V506-I711 HydrophobicContact CG1-CG1 3.74Å |
| 507 | L | 92.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 178.8 | -71.5 | 171.9 | 0 | 0 | 0 | 112.7 | I503 W504 A509 T510 G511 A513 F715 T755 | I503-L507 HydrophobicContact CG1-CD1 4.09Å; I503-L507 HydrophobicContact CG1-CG 4.38Å; I503-L507 HydrophobicContact CG2-CD1 4.44Å; I503-L507 WeakPolarHBondContact O-CB 3.28Å; I503-L507 VanDerWaalsContact O-CG 3.27Å; I503-L507 WeakPolarHBondContact O-CG 3.25Å; I503-L507 PolarHBondContact O-N 3.45Å; W504-L507 HydrophobicContact CE3-CD1 4.25Å; W504-L507 HydrophobicContact CZ3-CD1 4.37Å; L507-A509 VanDerWaalsContact C-N 3.3Å; L507-A509 PolarHBondContact O-N 3.05Å; L507-T510 PolarHBondContact O-N 3.29Å; L507-T510 PolarHBondContact O-OG1 3.4Å; L507-G511 CarbonylContact O-C 3.5Å; L507-G511 WeakPolarHBondContact O-CA 3.45Å; L507-G511 PolarHBondContact O-N 3.04Å; L507-A513 VanDerWaalsContact CD2-CA 3.48Å; L507-A513 HydrophobicContact CD2-CB 3.7Å; L507-F715 HydrophobicContact CD1-CZ 4.5Å; L507-F715 HydrophobicContact CD2-CE2 3.95Å; L507-F715 HydrophobicContact CD2-CZ 3.89Å; L507-T755 HydrophobicContact CD1-CG2 3.89Å |
| 508 | K | 91.9 | Very high | 92.1 | Very high | 188 Ų | 188 | 52.7 Ų | 52.7 | 82% | 0.817 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.8 | -35.8 | 173.4 | -172.6 | 178.4 | -179.4 | -177.3 | 0 | 112.1 | W504 S505 V506 | W504-K508 VanDerWaalsContact O-CB 3.29Å; W504-K508 WeakPolarHBondContact O-CB 3.4Å; W504-K508 PolarHBondContact O-N 2.94Å; S505-K508 PolarHBondContact O-N 3.37Å; V506-K508 VanDerWaalsContact C-N 3.34Å; V506-K508 PolarHBondContact O-N 2.98Å |
| 509 | A | 91.1 | Very high | 91.8 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 74% | 0.744 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -76.1 | -32.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S505 V506 L507 | S505-A509 WeakPolarHBondContact O-CB 3.45Å; S505-A509 PolarHBondContact O-N 3.33Å; V506-A509 WeakPolarHBondContact O-CB 3.27Å; V506-A509 PolarHBondContact O-N 3.08Å; V506-A509 VanDerWaalsContact O-N 3.09Å; L507-A509 VanDerWaalsContact C-N 3.3Å; L507-A509 PolarHBondContact O-N 3.05Å |
| 510 | T | 86.8 | Confident | 91.6 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -87 | -3.3 | 175.3 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | V506 L507 R512 | V506-T510 HydrophobicContact CG1-CG2 4.45Å; V506-T510 PolarHBondContact O-N 2.8Å; V506-T510 PolarHBondContact O-OG1 3.16Å; L507-T510 PolarHBondContact O-N 3.29Å; L507-T510 PolarHBondContact O-OG1 3.4Å; T510-R512 PolarHBondContact O-N 3.16Å; T510-R512 PolarHBondContact OG1-O 3.43Å |
| 511 | G | 89.9 | Confident | 91.4 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 71% | 0.711 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 76.5 | -40.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L507 | L507-G511 CarbonylContact O-C 3.5Å; L507-G511 WeakPolarHBondContact O-CA 3.45Å; L507-G511 PolarHBondContact O-N 3.04Å |
| 512 | R | 92 | Very high | 90.7 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -149.7 | 174.1 | 173.2 | 62.1 | 165.6 | 176 | 78.2 | -0.6 | 112.2 | T510 E518 | T510-R512 PolarHBondContact O-N 3.16Å; T510-R512 PolarHBondContact OG1-O 3.43Å; R512-E518 IonicContact CZ-OE1 2.92Å; R512-E518 IonicContact NH1-OE1 2.7Å; R512-E518 PolarHBondContact NH1-OE1 3.22Å; R512-E518 IonicContact NH1-OE2 4Å; R512-E518 IonicContact NH2-OE1 3.23Å; R512-E518 PolarHBondContact NH2-OE1 2.91Å |
| 513 | A | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 147.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.6 | L507 F715 I751 | L507-A513 VanDerWaalsContact CD2-CA 3.48Å; L507-A513 HydrophobicContact CD2-CB 3.7Å; A513-F715 HydrophobicContact CB-CD1 4.13Å; A513-F715 HydrophobicContact CB-CE1 3.44Å; A513-F715 VanDerWaalsContact CB-CE1 3.44Å; A513-F715 HydrophobicContact CB-CE2 4.03Å; A513-F715 HydrophobicContact CB-CZ 3.39Å; A513-I751 VanDerWaalsContact CB-O 3.26Å; A513-I751 WeakPolarHBondContact CB-O 3.09Å |
| 514 | P | 93.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 143.1 | 176.2 | 32.5 | -36 | 0 | 0 | 0 | 110.8 | E518 V519 F715 Y719 | P514-E518 WeakPolarHBondContact CA-OE2 3.3Å; P514-E518 HydrophobicContact CB-CB 4.01Å; P514-E518 VanDerWaalsContact CB-OE2 3.25Å; P514-E518 WeakPolarHBondContact CB-OE2 3.29Å; P514-V519 HydrophobicContact CB-CG1 3.64Å; P514-V519 HydrophobicContact CG-CG1 3.67Å; P514-F715 VanDerWaalsContact CD-CD2 3.46Å; P514-F715 HydrophobicContact CG-CB 3.78Å; P514-F715 HydrophobicContact CG-CD2 3.77Å; P514-F715 HydrophobicContact CG-CG 3.8Å; P514-Y719 PolarHBondContact O-OH 3.45Å |
| 515 | S | 94.2 | Very high | 89.3 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 169.8 | 175.3 | 66 | 0 | 0 | 0 | 0 | 111.7 | E517 E518 E748 | S515-E517 VanDerWaalsContact C-N 3.28Å; S515-E517 PolarHBondContact O-N 3.05Å; S515-E518 PolarHBondContact N-OE1 3.34Å; S515-E518 PolarHBondContact O-N 3.1Å; S515-E518 WeakPolarHBondContact OG-CG 3.47Å; S515-E518 PolarHBondContact OG-N 3.07Å; S515-E518 PolarHBondContact OG-OE1 3.45Å; S515-E748 WeakPolarHBondContact CA-OE1 3.43Å; S515-E748 VanDerWaalsContact CB-OE1 3.28Å; S515-E748 WeakPolarHBondContact CB-OE1 3.43Å |
| 516 | I | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 174.6 | -169.1 | 167.2 | 0 | 0 | 0 | 111.8 | E518 V519 I520 L525 Y719 W744 E748 P886 P888 | I516-E518 VanDerWaalsContact C-N 3.3Å; I516-E518 PolarHBondContact O-N 3.26Å; I516-V519 PolarHBondContact O-N 3.46Å; I516-I520 HydrophobicContact CD1-CD1 3.92Å; I516-I520 HydrophobicContact CG1-CB 4.33Å; I516-I520 HydrophobicContact CG1-CD1 3.73Å; I516-I520 HydrophobicContact CG1-CG1 3.99Å; I516-I520 PolarHBondContact O-N 2.93Å; I516-L525 HydrophobicContact CD1-CD2 3.8Å; I516-L525 HydrophobicContact CG1-CD2 3.89Å; I516-Y719 HydrophobicContact CB-CD2 4.23Å; I516-Y719 HydrophobicContact CB-CE2 4.25Å; I516-Y719 HydrophobicContact CB-CG 4.44Å; I516-Y719 HydrophobicContact CD1-CG 4.48Å; I516-Y719 HydrophobicContact CG1-CD2 4.26Å; I516-Y719 HydrophobicContact CG1-CG 4.32Å; I516-W744 HydrophobicContact CD1-CZ2 3.64Å; I516-E748 WeakPolarHBondContact CG2-OE1 3.38Å; I516-E748 PolarHBondContact N-OE1 3.5Å; I516-P886 WeakPolarHBondContact CD1-O 3.19Å; I516-P886 HydrophobicContact CG2-CG 3.96Å; I516-P888 VanDerWaalsContact CD1-CD 3.47Å; I516-P888 HydrophobicContact CD1-CG 3.64Å |
| 517 | E | 90.3 | Very high | 87 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.5 | -25.9 | 179.4 | -60.1 | -174.5 | 153.2 | 0 | 0 | 112.7 | S515 V519 L525 P886 | S515-E517 VanDerWaalsContact C-N 3.28Å; S515-E517 PolarHBondContact O-N 3.05Å; E517-V519 VanDerWaalsContact C-N 3.32Å; E517-L525 HydrophobicContact CG-CD1 4.35Å; E517-P886 HydrophobicContact CG-CG 3.76Å |
| 518 | E | 89.4 | Confident | 84.9 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.4 | -22.2 | 173 | -80 | 173.1 | -126 | 0 | 0 | 113.2 | R512 P514 S515 I516 R707 | R512-E518 IonicContact CZ-OE1 2.92Å; R512-E518 IonicContact NH1-OE1 2.7Å; R512-E518 PolarHBondContact NH1-OE1 3.22Å; R512-E518 IonicContact NH1-OE2 4Å; R512-E518 IonicContact NH2-OE1 3.23Å; R512-E518 PolarHBondContact NH2-OE1 2.91Å; P514-E518 WeakPolarHBondContact CA-OE2 3.3Å; P514-E518 HydrophobicContact CB-CB 4.01Å; P514-E518 VanDerWaalsContact CB-OE2 3.25Å; P514-E518 WeakPolarHBondContact CB-OE2 3.29Å; S515-E518 PolarHBondContact N-OE1 3.34Å; S515-E518 PolarHBondContact O-N 3.1Å; S515-E518 WeakPolarHBondContact OG-CG 3.47Å; S515-E518 PolarHBondContact OG-N 3.07Å; S515-E518 PolarHBondContact OG-OE1 3.45Å; I516-E518 VanDerWaalsContact C-N 3.3Å; I516-E518 PolarHBondContact O-N 3.26Å; E518-R707 PolarHBondContact O-N 3.03Å; E518-R707 IonicContact OE2-NH1 3.34Å |
| 519 | V | 88.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -123.1 | -18.9 | -168.4 | -48.5 | 0 | 0 | 0 | 0 | 114.7 | P514 I516 E517 A712 R716 Y719 | P514-V519 HydrophobicContact CB-CG1 3.64Å; P514-V519 HydrophobicContact CG-CG1 3.67Å; I516-V519 PolarHBondContact O-N 3.46Å; E517-V519 VanDerWaalsContact C-N 3.32Å; V519-A712 HydrophobicContact CB-CB 4.19Å; V519-A712 HydrophobicContact CG1-CB 3.63Å; V519-R716 HydrophobicContact CB-CB 4.19Å; V519-R716 HydrophobicContact CG2-CB 3.87Å; V519-R716 WeakPolarHBondContact O-CD 3.48Å; V519-Y719 HydrophobicContact CG2-CD2 3.76Å; V519-Y719 HydrophobicContact CG2-CE2 3.93Å |
| 520 | I | 88.2 | Confident | 79.2 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -114.8 | 123.5 | 176.4 | -53.8 | -167.4 | 0 | 0 | 0 | 109.5 | I516 K524 L525 R716 P888 | I516-I520 HydrophobicContact CD1-CD1 3.92Å; I516-I520 HydrophobicContact CG1-CB 4.33Å; I516-I520 HydrophobicContact CG1-CD1 3.73Å; I516-I520 HydrophobicContact CG1-CG1 3.99Å; I516-I520 PolarHBondContact O-N 2.93Å; I520-K524 HydrophobicContact CG2-CB 3.76Å; I520-L525 HydrophobicContact CB-CD2 3.89Å; I520-L525 HydrophobicContact CB-CG 4.21Å; I520-L525 HydrophobicContact CD1-CD2 4.44Å; I520-L525 HydrophobicContact CG2-CD2 3.7Å; I520-L525 HydrophobicContact CG2-CG 3.87Å; I520-R716 HydrophobicContact CD1-CG 4.38Å; I520-R716 HydrophobicContact CG1-CG 4.02Å; I520-P888 HydrophobicContact CD1-CB 4.12Å; I520-P888 HydrophobicContact CD1-CG 3.86Å |
| 521 | P | 84.1 | Confident | 76.5 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 14% | 0.143 | 30% | 0.301 | C | S | . | . | trans | -57 | 144.4 | 174.8 | -24.7 | 33.4 | 0 | 0 | 0 | 113.1 | E523 K524 V706 | P521-E523 WeakPolarHBondContact CB-OE2 3.33Å; P521-E523 PolarHBondContact O-N 3.2Å; P521-E523 VanDerWaalsContact O-N 3.07Å; P521-K524 PolarHBondContact O-N 2.78Å; P521-V706 HydrophobicContact CB-CG2 4.34Å; P521-V706 HydrophobicContact CG-CG1 4.34Å; P521-V706 HydrophobicContact CG-CG2 4.2Å | ||
| 522 | P | 80 | Confident | 73.6 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 31% | 0.312 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -63.5 | -17.9 | -172.9 | 26.3 | -35.3 | 0 | 0 | 0 | 114.5 | K524 L525 Q527 | P522-K524 VanDerWaalsContact C-N 3.33Å; P522-L525 PolarHBondContact O-N 3.09Å; P522-Q527 PolarHBondContact O-NE2 2.93Å |
| 523 | E | 82.9 | Confident | 70.5 | Confident | 147 Ų | 147 | 61.1 Ų | 61.1 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -79.8 | -15.3 | 174.4 | -44 | 79.8 | -178.7 | 0 | 0 | 113 | P521 | P521-E523 WeakPolarHBondContact CB-OE2 3.33Å; P521-E523 PolarHBondContact O-N 3.2Å; P521-E523 VanDerWaalsContact O-N 3.07Å |
| 524 | K | 84.8 | Confident | 67.2 | Low | 62 Ų | 62 | 65.7 Ų | 65.7 | 27% | 0.27 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -101.5 | 6.9 | 173.2 | -59.9 | -174.3 | -173.7 | -177.7 | 0 | 111.8 | I520 P521 P522 S609 G610 M889 | I520-K524 HydrophobicContact CG2-CB 3.76Å; P521-K524 PolarHBondContact O-N 2.78Å; P522-K524 VanDerWaalsContact C-N 3.33Å; K524-S609 PolarHBondContact NZ-O 3.36Å; K524-G610 PolarHBondContact NZ-O 3.43Å; K524-M889 WeakPolarHBondContact O-CG 3.1Å; K524-M889 PolarHBondContact O-N 3.38Å |
| 525 | L | 85.6 | Confident | 64 | Low | 12 Ų | 12 | 77.1 Ų | 77.1 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.8 | 178.3 | -71.5 | 179.3 | 0 | 0 | 0 | 111.1 | I516 E517 I520 P522 Q527 P886 M887 | I516-L525 HydrophobicContact CD1-CD2 3.8Å; I516-L525 HydrophobicContact CG1-CD2 3.89Å; E517-L525 HydrophobicContact CG-CD1 4.35Å; I520-L525 HydrophobicContact CB-CD2 3.89Å; I520-L525 HydrophobicContact CB-CG 4.21Å; I520-L525 HydrophobicContact CD1-CD2 4.44Å; I520-L525 HydrophobicContact CG2-CD2 3.7Å; I520-L525 HydrophobicContact CG2-CG 3.87Å; P522-L525 PolarHBondContact O-N 3.09Å; L525-Q527 PolarHBondContact O-N 3.3Å; L525-P886 HydrophobicContact CB-CB 4.09Å; L525-P886 HydrophobicContact CD1-CB 4.2Å; L525-P886 HydrophobicContact CD1-CG 3.84Å; L525-P886 HydrophobicContact CD2-CB 4.27Å; L525-P886 HydrophobicContact CD2-CG 4.39Å; L525-P886 HydrophobicContact CG-CB 4.42Å; L525-M887 WeakPolarHBondContact CA-O 3.22Å |
| 526 | D | 78.9 | Confident | 60.7 | Low | 39 Ų | 39 | 82.6 Ų | 82.6 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 73.2 | 178.6 | -163.5 | 17.4 | 0 | 0 | 0 | 109 | G528 R727 R737 M887 M889 | D526-G528 PolarHBondContact O-N 3.31Å; D526-R727 IonicContact OD2-NH2 2.79Å; D526-R737 IonicContact OD1-CZ 3.13Å; D526-R737 IonicContact OD1-NH2 3.38Å; D526-R737 PolarHBondContact OD1-NH2 3.32Å; D526-R737 IonicContact OD2-CZ 2.72Å; D526-R737 IonicContact OD2-NE 2.77Å; D526-R737 IonicContact OD2-NH2 3.91Å; D526-R737 PolarHBondContact OD2-NH2 2.92Å; D526-M887 HydrophobicContact CB-CB 4.33Å; D526-M887 WeakPolarHBondContact CB-O 3.22Å; D526-M887 PolarHBondContact N-O 2.89Å; D526-M889 HydrophobicContact CB-CG 4.04Å |
| 527 | Q | 56.4 | Low | 57.5 | Low | 116 Ų | 116 | 86.8 Ų | 86.8 | 54% | 0.542 | 46% | 0.455 | S | S | . | . | trans | -58.6 | 132.2 | 168.4 | -61.5 | 179.1 | 35.5 | 0 | 0 | 107.6 | P522 L525 S529 | P522-Q527 PolarHBondContact O-NE2 2.93Å; L525-Q527 PolarHBondContact O-N 3.3Å; Q527-S529 PolarHBondContact O-N 3.16Å | ||
| 528 | G | 47.6 | Very low | 54.6 | Low | 31 Ų | 31 | 88.4 Ų | 88.4 | 32% | 0.32 | 47% | 0.471 | S | S | . | . | trans | -65 | 8.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117 | D526 N530 Y850 | D526-G528 PolarHBondContact O-N 3.31Å; G528-N530 PolarHBondContact O-N 3.43Å; G528-Y850 VanDerWaalsContact C-OH 3.26Å; G528-Y850 WeakPolarHBondContact CA-OH 3.38Å; G528-Y850 WeakPolarHBondContact O-CE1 3.45Å; G528-Y850 PolarHBondContact O-OH 3.23Å; G528-Y850 VanDerWaalsContact O-OH 3.05Å | ||
| 529 | S | 35.8 | Very low | 51.6 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | trans | -49.4 | 127.8 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 112 | Q527 D531 | Q527-S529 PolarHBondContact O-N 3.16Å; S529-D531 VanDerWaalsContact C-N 3.25Å; S529-D531 PolarHBondContact O-N 3.04Å; S529-D531 VanDerWaalsContact O-N 3.1Å | ||
| 530 | N | 29 | Very low | 48.5 | Very low | 127 Ų | 127 | 100.8 Ų | 100.8 | 68% | 0.679 | 54% | 0.542 | S | S | * | . | trans | -91.7 | 49.2 | -168.7 | -148.7 | 14.6 | 0 | 0 | 0 | 111.5 | G528 C532 | G528-N530 PolarHBondContact O-N 3.43Å; N530-C532 PolarHBondContact O-N 3.04Å | ||
| 531 | D | 29.3 | Very low | 45.5 | Very low | 139 Ų | 139 | 106 Ų | 106 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | trans | -74.7 | 69.6 | -179.4 | -81.7 | -19.2 | 0 | 0 | 0 | 111.5 | S529 Y533 | S529-D531 VanDerWaalsContact C-N 3.25Å; S529-D531 PolarHBondContact O-N 3.04Å; S529-D531 VanDerWaalsContact O-N 3.1Å; D531-Y533 PolarHBondContact O-N 2.79Å | ||
| 532 | C | 28.4 | Very low | 43 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 66% | 0.662 | 61% | 0.61 | S | S | * | * | trans | -64.2 | 95.5 | 164.7 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | N530 T534 | N530-C532 PolarHBondContact O-N 3.04Å; C532-T534 PolarHBondContact O-N 2.88Å | ||
| 533 | Y | 27.6 | Very low | 40.3 | Very low | 223 Ų | 223 | 111.9 Ų | 111.9 | 88% | 0.875 | 63% | 0.63 | S | S | * | * | trans | 35.5 | 49 | 157.3 | -65 | -77.2 | 0 | 0 | 0 | 115.5 | D531 R535 | D531-Y533 PolarHBondContact O-N 2.79Å; Y533-R535 VanDerWaalsContact C-N 3.33Å; Y533-R535 PolarHBondContact O-N 3.2Å | ||
| 534 | T | 23.9 | Very low | 37.6 | Very low | 95 Ų | 95 | 114 Ų | 114 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | trans | -66.9 | 99.8 | 173.3 | -5.5 | 0 | 0 | 0 | 0 | 107 | C532 N536 | C532-T534 PolarHBondContact O-N 2.88Å; T534-N536 PolarHBondContact O-N 3.22Å; T534-N536 PolarHBondContact O-OD1 3.24Å | ||
| 535 | R | 25.3 | Very low | 34.7 | Very low | 242 Ų | 242 | 120.8 Ų | 120.8 | 91% | 0.913 | 67% | 0.67 | S | S | * | * | trans | -66.7 | 75.8 | 178.2 | -173.1 | -176.6 | -173.3 | -179.1 | 2.2 | 108.1 | Y533 A537 | Y533-R535 VanDerWaalsContact C-N 3.33Å; Y533-R535 PolarHBondContact O-N 3.2Å; R535-A537 PolarHBondContact O-N 3.01Å | ||
| 536 | N | 26.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | -62.2 | 98.3 | -174.3 | -76.9 | -13.2 | 0 | 0 | 0 | 109.2 | T534 T538 | T534-N536 PolarHBondContact O-N 3.22Å; T534-N536 PolarHBondContact O-OD1 3.24Å; N536-T538 PolarHBondContact O-N 3.05Å; N536-T538 VanDerWaalsContact O-N 3.08Å | ||
| 537 | A | 26.1 | Very low | 29.1 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -58.6 | 112.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | R535 T539 | R535-A537 PolarHBondContact O-N 3.01Å; A537-T539 PolarHBondContact O-N 2.67Å | ||
| 538 | T | 27.4 | Very low | 27.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -61.3 | 98.3 | -177.6 | 42.3 | 0 | 0 | 0 | 0 | 110.5 | N536 I540 | N536-T538 PolarHBondContact O-N 3.05Å; N536-T538 VanDerWaalsContact O-N 3.08Å; T538-I540 PolarHBondContact O-N 2.76Å; T538-I540 VanDerWaalsContact O-N 3.11Å | ||
| 539 | T | 26.3 | Very low | 26.2 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 96.8 | 163.8 | 36.5 | 0 | 0 | 0 | 0 | 108.3 | A537 S541 | A537-T539 PolarHBondContact O-N 2.67Å; T539-S541 PolarHBondContact O-N 2.84Å; T539-S541 VanDerWaalsContact O-N 3.16Å | ||
| 540 | I | 25 | Very low | 25.7 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 112.5 | 179.4 | -61.2 | 164.3 | 0 | 0 | 0 | 109 | T538 | T538-I540 PolarHBondContact O-N 2.76Å; T538-I540 VanDerWaalsContact O-N 3.11Å | ||
| 541 | S | 25.2 | Very low | 25.5 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -116.6 | 118 | 162.9 | -79 | 0 | 0 | 0 | 0 | 108.5 | T539 | T539-S541 PolarHBondContact O-N 2.84Å; T539-S541 VanDerWaalsContact O-N 3.16Å | ||
| 542 | P | 31.5 | Very low | 25.3 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -95 | 142.6 | -165.1 | 34.8 | -33.8 | 0 | 0 | 0 | 113.6 | ||||
| 543 | G | 24 | Very low | 25.1 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 114.9 | 89 | 146.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 544 | Q | 26.1 | Very low | 24.9 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -132.6 | 122.9 | 137.1 | -85.8 | -177.2 | 10.7 | 0 | 0 | 109 | ||||
| 545 | K | 22.3 | Very low | 24.9 | Very low | 203 Ų | 203 | 144.6 Ų | 144.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -94.7 | 128.2 | -179.6 | -65.7 | 174.1 | 177.9 | 175.7 | 0 | 109 | ||||
| 546 | L | 23.9 | Very low | 24.7 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -138.1 | 87.9 | 163.9 | -102.7 | 124.4 | 0 | 0 | 0 | 111.8 | T548 | L546-T548 PolarHBondContact O-N 3.17Š| ||
| 547 | L | 23.2 | Very low | 24.6 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | 32.9 | 83.6 | 138.5 | -67.7 | 157.2 | 0 | 0 | 0 | 117.5 | ||||
| 548 | T | 22.6 | Very low | 24.4 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -97.6 | 110.2 | 159.4 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | L546 | L546-T548 PolarHBondContact O-N 3.17Š| ||
| 549 | S | 21.4 | Very low | 24 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | -130.8 | 112.3 | 168.4 | 62 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 550 | N | 25.2 | Very low | 23.8 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | trans | 176.3 | 81 | 138.6 | -87.7 | -14.3 | 0 | 0 | 0 | 109.4 | I552 | N550-I552 PolarHBondContact O-N 3.31Š| ||
| 551 | V | 23.6 | Very low | 23.9 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | trans | -81 | 110.8 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 552 | I | 26.7 | Very low | 23.6 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 82% | 0.821 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 126.1 | 167.8 | -63.6 | 179.8 | 0 | 0 | 0 | 108.3 | N550 | N550-I552 PolarHBondContact O-N 3.31Š|
| 553 | S | 23.5 | Very low | 23.3 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 125.9 | -162.8 | -174.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 554 | T | 22.3 | Very low | 23.1 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 80% | 0.798 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 117.9 | 172.8 | 49 | 0 | 0 | 0 | 0 | 111.5 | ||
| 555 | K | 24 | Very low | 23 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 123.1 | 170.9 | -85.7 | -176.9 | 175.3 | 177.3 | 0 | 112 | ||
| 556 | N | 22.2 | Very low | 23.1 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -44.8 | 129.8 | 177.9 | -55.9 | -39.7 | 0 | 0 | 0 | 114.6 | ||||
| 557 | I | 24.8 | Very low | 22.8 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -125.2 | 130.1 | 154.7 | -62.5 | -177.2 | 0 | 0 | 0 | 108.3 | ||||
| 558 | K | 21.4 | Very low | 22.9 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -97.1 | 115.1 | -164.7 | -164.1 | 177.6 | -173.7 | 179.8 | 0 | 109.4 | ||||
| 559 | L | 19.4 | Very low | 22.8 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -77.2 | 132.4 | 179.1 | -73.8 | 156.3 | 0 | 0 | 0 | 111.1 | ||||
| 560 | S | 21.4 | Very low | 22.8 | Very low | 111 Ų | 111 | 158.1 Ų | 158.1 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | trans | -123 | 145.6 | 164 | 52.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 561 | P | 26.3 | Very low | 22.7 | Very low | 117 Ų | 117 | 157.5 Ų | 157.5 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | trans | -109.9 | 171.2 | -159.6 | 40.3 | -33.7 | 0 | 0 | 0 | 115.3 | ||||
| 562 | S | 20.6 | Very low | 22.5 | Very low | 110 Ų | 110 | 156.2 Ų | 156.2 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | trans | 74.4 | 130.2 | 165.6 | 77.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 563 | S | 23.4 | Very low | 22.4 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 81% | 0.811 | 84% | 0.843 | S | S | * | * | -163.7 | 161.7 | 68.1 | 34.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 564 | Y | 20.6 | Very low | 22.4 | Very low | 236 Ų | 236 | 155.8 Ų | 155.8 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -87.3 | 140.4 | -174.9 | -70.4 | -113.4 | 0 | 0 | 0 | 112.7 | ||||
| 565 | A | 24.7 | Very low | 22.5 | Very low | 94 Ų | 94 | 155.8 Ų | 155.8 | 78% | 0.777 | 84% | 0.838 | S | S | * | * | trans | -165.4 | 109.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 566 | K | 23.3 | Very low | 22.6 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | 46 | 120.2 | 135.8 | -63.1 | 179.2 | 179.1 | 177 | 0 | 121.5 | ||||
| 567 | Q | 19.2 | Very low | 22.7 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 139.1 | 161.2 | -61.9 | 165.4 | -42.4 | 0 | 0 | 113.5 | ||
| 568 | P | 25.3 | Very low | 22.8 | Very low | 131 Ų | 131 | 150 Ų | 150 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 148.3 | 158.5 | 1.2 | 18.4 | 0 | 0 | 0 | 111.5 | ||
| 569 | R | 20 | Very low | 22.9 | Very low | 239 Ų | 239 | 145.9 Ų | 145.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 146.4 | -174.9 | -179.1 | 177.5 | -179.8 | 169.2 | 0.1 | 111.7 | ||
| 570 | L | 20.3 | Very low | 23.2 | Very low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 137 | 175.7 | -63 | 159.4 | 0 | 0 | 0 | 113.9 | ||
| 571 | T | 24.4 | Very low | 23.2 | Very low | 143 Ų | 143 | 145 Ų | 145 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -132.7 | 139.9 | 152.4 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 572 | S | 19.2 | Very low | 23.2 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -89.4 | 142.5 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 573 | S | 24.9 | Very low | 23.2 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -153.5 | 137.1 | 155.4 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 574 | N | 22.3 | Very low | 23.2 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | -67.2 | 160 | -177.2 | -98.8 | -8.3 | 0 | 0 | 0 | 115.9 | ||||
| 575 | N | 24.1 | Very low | 23.3 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | trans | 89.8 | 136.7 | 135.2 | -77.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 576 | N | 27.5 | Very low | 23.2 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | trans | 86.4 | 99 | 147.2 | -64.3 | -7.1 | 0 | 0 | 0 | 120.3 | ||||
| 577 | N | 24.2 | Very low | 23.1 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | 34.1 | 104.5 | 118.4 | -63.5 | -3.5 | 0 | 0 | 0 | 118 | |||||
| 578 | S | 27.3 | Very low | 23.3 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | -155.8 | 117.8 | 127.6 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 579 | S | 22.5 | Very low | 23.1 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -63.7 | 131.2 | 166.9 | -42.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 580 | N | 26.5 | Very low | 23.2 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -159.4 | 111.9 | 150 | -101.3 | -28.5 | 0 | 0 | 0 | 111.1 | ||||
| 581 | S | 20.5 | Very low | 23.3 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 126.9 | 166.3 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 582 | I | 25.6 | Very low | 23.2 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -141.3 | 123.7 | 144.9 | -90.9 | 130.5 | 0 | 0 | 0 | 107.6 | ||||
| 583 | T | 21.8 | Very low | 23.3 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 121.5 | 173.1 | 49 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 584 | S | 23.9 | Very low | 23.2 | Very low | 95 Ų | 95 | 146 Ų | 146 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -136.8 | 116 | 160.7 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | I586 | S584-I586 PolarHBondContact O-N 3.12Š| ||
| 585 | K | 22.1 | Very low | 23.2 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -66.9 | 114 | 177.5 | -62 | 167.9 | 179.2 | 175.3 | 0 | 108.9 | ||||
| 586 | I | 22.9 | Very low | 23 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | trans | -128.1 | 115.4 | 163.4 | -61.9 | -176.4 | 0 | 0 | 0 | 108.5 | S584 V588 | S584-I586 PolarHBondContact O-N 3.12Å; I586-V588 PolarHBondContact O-N 2.84Å; I586-V588 VanDerWaalsContact O-N 3.13Å | ||
| 587 | S | 21.1 | Very low | 22.7 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -69.3 | 101.7 | 178.8 | -51 | 0 | 0 | 0 | 0 | 110.3 | S589 | S587-S589 PolarHBondContact O-N 2.95Š| ||
| 588 | V | 22.5 | Very low | 22.6 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -84.8 | 97.1 | 173.3 | -178 | 0 | 0 | 0 | 0 | 109.2 | I586 R590 | I586-V588 PolarHBondContact O-N 2.84Å; I586-V588 VanDerWaalsContact O-N 3.13Å; V588-R590 PolarHBondContact O-N 3.29Å | ||
| 589 | S | 21.6 | Very low | 22.4 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -55.2 | 128.1 | 169.1 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | S587 Q591 | S587-S589 PolarHBondContact O-N 2.95Å; S589-Q591 PolarHBondContact O-N 2.8Å | ||
| 590 | R | 22.2 | Very low | 22.4 | Very low | 246 Ų | 246 | 152.6 Ų | 152.6 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -44.7 | 105.3 | 176.6 | -80.8 | 174 | 160.3 | 174.3 | -7.6 | 111.8 | V588 | V588-R590 PolarHBondContact O-N 3.29Š| ||
| 591 | Q | 21.3 | Very low | 22.3 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -76.4 | 128.5 | 153.9 | -79.8 | -175.8 | -24.1 | 0 | 0 | 107.9 | S589 N593 | S589-Q591 PolarHBondContact O-N 2.8Å; Q591-N593 PolarHBondContact O-N 3.03Å; Q591-N593 VanDerWaalsContact O-N 3.12Å | ||
| 592 | Q | 23.4 | Very low | 22.5 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -69.6 | 106.1 | -178.8 | -68.3 | 164.6 | -45 | 0 | 0 | 108.8 | I594 | Q592-I594 PolarHBondContact O-N 3.29Š| ||
| 593 | N | 21.8 | Very low | 22.6 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -65.9 | 120.4 | 165.7 | -102.5 | -9.2 | 0 | 0 | 0 | 108.2 | Q591 E595 | Q591-N593 PolarHBondContact O-N 3.03Å; Q591-N593 VanDerWaalsContact O-N 3.12Å; N593-E595 PolarHBondContact O-N 3.13Å; N593-E595 VanDerWaalsContact O-N 3.09Å | ||
| 594 | I | 22.7 | Very low | 22.9 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -77.4 | 94.2 | 174.5 | -61.9 | 171.1 | 0 | 0 | 0 | 106.5 | Q592 F596 | Q592-I594 PolarHBondContact O-N 3.29Å; I594-F596 PolarHBondContact O-N 3.43Å | ||
| 595 | E | 22 | Very low | 23 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -65.5 | 123.8 | 173.1 | -72 | 180 | 153.4 | 0 | 0 | 109.6 | N593 S597 | N593-E595 PolarHBondContact O-N 3.13Å; N593-E595 VanDerWaalsContact O-N 3.09Å; E595-S597 PolarHBondContact O-N 3Å; E595-S597 VanDerWaalsContact O-N 3.14Å | ||
| 596 | F | 19.9 | Very low | 23.6 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 104.9 | 174.3 | -91.2 | -99.5 | 0 | 0 | 0 | 109.2 | I594 T598 | I594-F596 PolarHBondContact O-N 3.43Å; F596-T598 PolarHBondContact O-N 2.91Å | ||
| 597 | S | 21.3 | Very low | 24 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -59.9 | 93.1 | 175.6 | -46.9 | 0 | 0 | 0 | 0 | 111.4 | E595 N599 | E595-S597 PolarHBondContact O-N 3Å; E595-S597 VanDerWaalsContact O-N 3.14Å; S597-N599 PolarHBondContact O-N 2.84Å | ||
| 598 | T | 22.7 | Very low | 24.5 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | -72.7 | 112.2 | 167.5 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | F596 Q600 | F596-T598 PolarHBondContact O-N 2.91Å; T598-Q600 PolarHBondContact O-N 3.32Å | ||
| 599 | N | 22.3 | Very low | 24.9 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | trans | -57.5 | 95.6 | 178.7 | -75.6 | -25 | 0 | 0 | 0 | 111 | S597 | S597-N599 PolarHBondContact O-N 2.84Š| ||
| 600 | Q | 22.6 | Very low | 25.5 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -74.6 | 125.4 | 171.2 | -70 | -155.3 | 10.7 | 0 | 0 | 109.7 | T598 G602 | T598-Q600 PolarHBondContact O-N 3.32Å; Q600-G602 PolarHBondContact O-N 3.16Å | ||
| 601 | P | 24 | Very low | 26.5 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 64% | 0.642 | S | S | * | * | trans | -71.8 | 101 | 171.8 | 29.1 | -31.6 | 0 | 0 | 0 | 109 | I603 | P601-I603 VanDerWaalsContact C-N 3.28Å; P601-I603 PolarHBondContact O-N 2.94Å | ||
| 602 | G | 25.6 | Very low | 27.6 | Very low | 81 Ų | 81 | 118.2 Ų | 118.2 | 84% | 0.835 | 63% | 0.634 | S | S | * | * | trans | -66 | 77.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q600 | Q600-G602 PolarHBondContact O-N 3.16Š| ||
| 603 | I | 26.6 | Very low | 28.8 | Very low | 120 Ų | 120 | 112.3 Ų | 112.3 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | trans | -106 | 159.3 | 155.7 | -53.5 | 177.9 | 0 | 0 | 0 | 105.5 | P601 | P601-I603 VanDerWaalsContact C-N 3.28Å; P601-I603 PolarHBondContact O-N 2.94Å | ||
| 604 | Y | 27.5 | Very low | 29.9 | Very low | 126 Ų | 126 | 105.9 Ų | 105.9 | 49% | 0.494 | 57% | 0.573 | S | S | . | * | trans | 74.6 | 18.9 | 177.8 | -36.7 | -76.5 | 0 | 0 | 0 | 117.9 | R478 | R478-Y604 VanDerWaalsContact NH2-CZ 3.3Å; R478-Y604 PolarHBondContact NH2-OH 3.29Å | ||
| 605 | R | 26 | Very low | 30.8 | Very low | 187 Ų | 187 | 99.2 Ų | 99.2 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -70.9 | 140.1 | 142.8 | -170.1 | 175.7 | -83.6 | -152.5 | -1.8 | 106.7 | E612 | R605-E612 IonicContact NH1-OE1 3.63Å; R605-E612 PolarHBondContact NH1-OE1 2.98Å |
| 606 | L | 35.7 | Very low | 31.9 | Very low | 59 Ų | 59 | 91.7 Ų | 91.7 | 31% | 0.309 | 51% | 0.507 | S | S | . | . | trans | -43.8 | 164.2 | 177.3 | -76.6 | 150.6 | 0 | 0 | 0 | 112.6 | E468 N485 S608 | E468-L606 HydrophobicContact CG-CD1 3.91Å; N485-L606 WeakPolarHBondContact OD1-CD2 3.34Å; L606-S608 PolarHBondContact O-N 2.99Å | ||
| 607 | L | 31.7 | Very low | 33.1 | Very low | 101 Ų | 101 | 84.2 Ų | 84.2 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -57 | 5.3 | 167.8 | -74.7 | 157.5 | 0 | 0 | 0 | 114.5 | S609 L724 | L607-S609 PolarHBondContact O-N 2.97Å; L607-L724 HydrophobicContact CD1-CD1 3.54Å; L607-L724 HydrophobicContact CD2-CD1 3.95Å; L607-L724 HydrophobicContact CG-CD1 4.42Å |
| 608 | S | 31.6 | Very low | 34.2 | Very low | 30 Ų | 30 | 79.5 Ų | 79.5 | 21% | 0.21 | 44% | 0.442 | C | S | . | . | trans | -56 | 72.5 | 162.2 | 169.8 | 0 | 0 | 0 | 0 | 113.6 | L606 G610 | L606-S608 PolarHBondContact O-N 2.99Å; S608-G610 PolarHBondContact O-N 3.17Å | ||
| 609 | S | 30.3 | Very low | 35 | Very low | 34 Ų | 34 | 74.3 Ų | 74.3 | 24% | 0.238 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -75.1 | 97 | 151.3 | 60 | 0 | 0 | 0 | 0 | 109.3 | K524 L607 | K524-S609 PolarHBondContact NZ-O 3.36Å; L607-S609 PolarHBondContact O-N 2.97Å |
| 610 | G | 35.2 | Very low | 36 | Very low | 61 Ų | 61 | 67.2 Ų | 67.2 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 61.2 | 51.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K524 S608 | K524-G610 PolarHBondContact NZ-O 3.43Å; S608-G610 PolarHBondContact O-N 3.17Å |
| 611 | V | 42.8 | Very low | 37.1 | Very low | 13 Ų | 13 | 61.8 Ų | 61.8 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | trans | -115.4 | 9.2 | 179.4 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | D613 E614 | V611-D613 PolarHBondContact O-N 3.47Å; V611-E614 HydrophobicContact CG1-CB 4Å; V611-E614 WeakPolarHBondContact CG1-OE2 3.38Å; V611-E614 PolarHBondContact O-N 2.96Å | ||
| 612 | E | 43.2 | Very low | 37.9 | Very low | 145 Ų | 145 | 58.2 Ų | 58.2 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -19.4 | -161 | -59.4 | -168.4 | 142.1 | 0 | 0 | 116.8 | R605 | R605-E612 IonicContact NH1-OE1 3.63Å; R605-E612 PolarHBondContact NH1-OE1 2.98Å |
| 613 | D | 48.8 | Very low | 38.7 | Very low | 61 Ų | 61 | 55.3 Ų | 55.3 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -9.5 | 173.9 | -170 | 46.2 | 0 | 0 | 0 | 113.4 | R390 V611 A616 Q617 | R390-D613 WeakPolarHBondContact CD-OD1 3.5Å; R390-D613 IonicContact CZ-OD1 2.75Å; R390-D613 IonicContact NH1-OD1 2.89Å; R390-D613 PolarHBondContact NH1-OD1 3.09Å; R390-D613 IonicContact NH1-OD2 3.79Å; V611-D613 PolarHBondContact O-N 3.47Å; D613-A616 CarbonylContact O-C 3.6Å; D613-Q617 VanDerWaalsContact O-CG 3.22Å; D613-Q617 WeakPolarHBondContact O-CG 2.99Å; D613-Q617 PolarHBondContact O-N 3.19Å; D613-Q617 PolarHBondContact OD2-NE2 2.75Å; D613-Q617 VanDerWaalsContact OD2-NE2 3.12Å |
| 614 | E | 44.7 | Very low | 39.1 | Very low | 19 Ų | 19 | 53.5 Ų | 53.5 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -83.5 | -41.6 | -171.2 | -59.8 | -177.9 | 104.9 | 0 | 0 | 112.9 | V611 A616 Q617 A618 H708 I713 R716 | V611-E614 HydrophobicContact CG1-CB 4Å; V611-E614 WeakPolarHBondContact CG1-OE2 3.38Å; V611-E614 PolarHBondContact O-N 2.96Å; E614-A616 PolarHBondContact O-N 3.34Å; E614-Q617 CarbonylContact O-C 3.44Å; E614-Q617 VanDerWaalsContact O-CA 3.28Å; E614-Q617 WeakPolarHBondContact O-CA 3.39Å; E614-Q617 VanDerWaalsContact O-CB 3.22Å; E614-Q617 WeakPolarHBondContact O-CB 3.32Å; E614-Q617 PolarHBondContact O-N 3.14Å; E614-A618 PolarHBondContact O-N 2.7Å; E614-H708 IonicContact OE1-CD2 3.65Å; E614-H708 IonicContact OE1-NE2 3.9Å; E614-I713 WeakPolarHBondContact O-CD1 3.49Å; E614-R716 VanDerWaalsContact CD-NH1 3.28Å; E614-R716 IonicContact OE1-CZ 3.43Å; E614-R716 IonicContact OE1-NH1 3.85Å; E614-R716 PolarHBondContact OE1-NH1 3.14Å; E614-R716 IonicContact OE1-NH2 2.85Å; E614-R716 PolarHBondContact OE1-NH2 2.96Å; E614-R716 IonicContact OE2-CZ 3.72Å; E614-R716 IonicContact OE2-NH1 3.53Å; E614-R716 PolarHBondContact OE2-NH1 3.36Å; E614-R716 IonicContact OE2-NH2 3.83Å; E614-R716 PolarHBondContact OE2-NH2 3.22Å |
| 615 | S | 43.4 | Very low | 39.5 | Very low | 11 Ų | 11 | 50.7 Ų | 50.7 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -29.8 | 173.7 | -43.5 | 0 | 0 | 0 | 0 | 111.3 | E468 A618 A619 | E468-S615 WeakPolarHBondContact OE1-CB 3.32Å; E468-S615 PolarHBondContact OE1-OG 3.05Å; E468-S615 WeakPolarHBondContact OE2-CB 3.43Å; E468-S615 PolarHBondContact OE2-OG 3.28Å; E468-S615 VanDerWaalsContact OE2-OG 3.12Å; S615-A618 WeakPolarHBondContact O-CB 3.45Å; S615-A618 PolarHBondContact O-N 2.8Å; S615-A619 PolarHBondContact O-N 2.63Å |
| 616 | A | 43.6 | Very low | 39.7 | Very low | 10 Ų | 10 | 44 Ų | 44 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.1 | -27.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D613 E614 A620 | D613-A616 CarbonylContact O-C 3.6Å; E614-A616 PolarHBondContact O-N 3.34Å; A616-A620 WeakPolarHBondContact O-CB 3.02Å; A616-A620 PolarHBondContact O-N 2.97Å |
| 617 | Q | 45.8 | Very low | 39.3 | Very low | 33 Ų | 33 | 45.6 Ų | 45.6 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.7 | -40 | 166.1 | -76.2 | 165.4 | 11.6 | 0 | 0 | 112.1 | D613 E614 A619 A620 Q621 H708 | D613-Q617 VanDerWaalsContact O-CG 3.22Å; D613-Q617 WeakPolarHBondContact O-CG 2.99Å; D613-Q617 PolarHBondContact O-N 3.19Å; D613-Q617 PolarHBondContact OD2-NE2 2.75Å; D613-Q617 VanDerWaalsContact OD2-NE2 3.12Å; E614-Q617 CarbonylContact O-C 3.44Å; E614-Q617 VanDerWaalsContact O-CA 3.28Å; E614-Q617 WeakPolarHBondContact O-CA 3.39Å; E614-Q617 VanDerWaalsContact O-CB 3.22Å; E614-Q617 WeakPolarHBondContact O-CB 3.32Å; E614-Q617 PolarHBondContact O-N 3.14Å; Q617-A619 VanDerWaalsContact C-N 3.33Å; Q617-A619 PolarHBondContact O-N 3.11Å; Q617-A620 CarbonylContact O-C 3.6Å; Q617-A620 PolarHBondContact O-N 3.27Å; Q617-Q621 WeakPolarHBondContact O-CB 3.13Å; Q617-Q621 VanDerWaalsContact O-CG 3.26Å; Q617-Q621 WeakPolarHBondContact O-CG 3.46Å; Q617-Q621 PolarHBondContact O-N 2.8Å; Q617-Q621 PolarHBondContact O-OE1 3.34Å; Q617-H708 PolarHBondContact OE1-CD2 2.88Å |
| 618 | A | 43.5 | Very low | 39.2 | Very low | 12 Ų | 12 | 45.8 Ų | 45.8 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.4 | -49.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E614 S615 Q621 L622 I713 | E614-A618 PolarHBondContact O-N 2.7Å; S615-A618 WeakPolarHBondContact O-CB 3.45Å; S615-A618 PolarHBondContact O-N 2.8Å; A618-Q621 PolarHBondContact O-N 2.77Å; A618-L622 VanDerWaalsContact O-CD1 3.32Å; A618-L622 WeakPolarHBondContact O-CD1 3.43Å; A618-L622 WeakPolarHBondContact O-CG 3.38Å; A618-L622 PolarHBondContact O-N 2.88Å; A618-L622 VanDerWaalsContact O-N 3.09Å; A618-I713 HydrophobicContact CB-CB 4.32Å; A618-I713 HydrophobicContact CB-CD1 3.42Å; A618-I713 VanDerWaalsContact CB-CD1 3.42Å; A618-I713 HydrophobicContact CB-CG1 4.44Å; A618-I713 HydrophobicContact CB-CG2 4.14Å |
| 619 | A | 40.6 | Very low | 38.9 | Very low | 9 Ų | 9 | 52 Ų | 52 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.6 | -61.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V469 S615 Q617 Q621 L622 L623 | V469-A619 HydrophobicContact CG2-CB 3.57Å; S615-A619 PolarHBondContact O-N 2.63Å; Q617-A619 VanDerWaalsContact C-N 3.33Å; Q617-A619 PolarHBondContact O-N 3.11Å; A619-Q621 VanDerWaalsContact C-N 3.27Å; A619-Q621 PolarHBondContact O-N 3.43Å; A619-Q621 VanDerWaalsContact O-N 3.16Å; A619-L622 CarbonylContact O-C 3.55Å; A619-L622 WeakPolarHBondContact O-CA 3.47Å; A619-L622 VanDerWaalsContact O-CB 3.25Å; A619-L622 WeakPolarHBondContact O-CB 3.47Å; A619-L622 PolarHBondContact O-N 2.92Å; A619-L623 VanDerWaalsContact O-CD2 3.23Å; A619-L623 WeakPolarHBondContact O-CD2 3.2Å; A619-L623 WeakPolarHBondContact O-CG 3.45Å; A619-L623 PolarHBondContact O-N 3.26Å |
| 620 | A | 42.5 | Very low | 38.6 | Very low | 12 Ų | 12 | 55.8 Ų | 55.8 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -52.2 | -37.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | E387 A616 Q617 L623 A624 | E387-A620 WeakPolarHBondContact OE1-CB 3.47Å; A616-A620 WeakPolarHBondContact O-CB 3.02Å; A616-A620 PolarHBondContact O-N 2.97Å; Q617-A620 CarbonylContact O-C 3.6Å; Q617-A620 PolarHBondContact O-N 3.27Å; A620-L623 HydrophobicContact CB-CD1 4.44Å; A620-L623 CarbonylContact O-C 3.58Å; A620-L623 WeakPolarHBondContact O-CB 3.49Å; A620-L623 PolarHBondContact O-N 3.09Å; A620-A624 PolarHBondContact O-N 3.49Å; A620-A624 VanDerWaalsContact O-N 3.11Å |
| 621 | Q | 45.6 | Very low | 38.1 | Very low | 59 Ų | 59 | 59 Ų | 59 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -74.4 | -28.5 | 176.2 | -72.6 | 158.2 | -24.2 | 0 | 0 | 111.7 | Q617 A618 A619 L623 A624 S625 H708 D709 | Q617-Q621 WeakPolarHBondContact O-CB 3.13Å; Q617-Q621 VanDerWaalsContact O-CG 3.26Å; Q617-Q621 WeakPolarHBondContact O-CG 3.46Å; Q617-Q621 PolarHBondContact O-N 2.8Å; Q617-Q621 PolarHBondContact O-OE1 3.34Å; A618-Q621 PolarHBondContact O-N 2.77Å; A619-Q621 VanDerWaalsContact C-N 3.27Å; A619-Q621 PolarHBondContact O-N 3.43Å; A619-Q621 VanDerWaalsContact O-N 3.16Å; Q621-L623 VanDerWaalsContact C-N 3.35Å; Q621-A624 CarbonylContact O-C 3.6Å; Q621-A624 PolarHBondContact O-N 2.82Å; Q621-S625 VanDerWaalsContact O-CB 3.27Å; Q621-S625 WeakPolarHBondContact O-CB 3.48Å; Q621-S625 PolarHBondContact O-N 3.46Å; Q621-S625 PolarHBondContact O-OG 3.07Å; Q621-H708 PolarHBondContact NE2-O 3.37Å; Q621-H708 VanDerWaalsContact NE2-O 3.16Å; Q621-H708 PolarHBondContact OE1-O 3.3Å; Q621-D709 VanDerWaalsContact OE1-CA 3.25Å |
| 622 | L | 40.4 | Very low | 37.2 | Very low | 40 Ų | 40 | 64.3 Ų | 64.3 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.1 | -32.9 | 166.1 | -67.6 | 154.6 | 0 | 0 | 0 | 112 | K465 A618 A619 A624 | K465-L622 HydrophobicContact CB-CD1 3.51Å; K465-L622 HydrophobicContact CD-CD1 3.47Å; K465-L622 VanDerWaalsContact CD-CD1 3.47Å; K465-L622 HydrophobicContact CD-CD2 3.64Å; K465-L622 HydrophobicContact CD-CG 4.18Å; K465-L622 HydrophobicContact CG-CD1 3.55Å; A618-L622 VanDerWaalsContact O-CD1 3.32Å; A618-L622 WeakPolarHBondContact O-CD1 3.43Å; A618-L622 WeakPolarHBondContact O-CG 3.38Å; A618-L622 PolarHBondContact O-N 2.88Å; A618-L622 VanDerWaalsContact O-N 3.09Å; A619-L622 CarbonylContact O-C 3.55Å; A619-L622 WeakPolarHBondContact O-CA 3.47Å; A619-L622 VanDerWaalsContact O-CB 3.25Å; A619-L622 WeakPolarHBondContact O-CB 3.47Å; A619-L622 PolarHBondContact O-N 2.92Å; L622-A624 PolarHBondContact O-N 2.91Å |
| 623 | L | 42.4 | Very low | 36.2 | Very low | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.8 | 170.8 | -29.5 | 175.1 | 0 | 0 | 0 | 111.5 | E387 L420 A619 A620 Q621 | E387-L623 HydrophobicContact CB-CD1 4.45Å; E387-L623 HydrophobicContact CG-CD1 3.64Å; L420-L623 HydrophobicContact CB-CB 4.02Å; L420-L623 HydrophobicContact CD1-CB 3.85Å; L420-L623 HydrophobicContact CD1-CD1 4.34Å; L420-L623 HydrophobicContact CD1-CD2 3.32Å; L420-L623 HydrophobicContact CD1-CG 3.88Å; L420-L623 HydrophobicContact CD2-CB 4.35Å; L420-L623 HydrophobicContact CD2-CD1 3.82Å; L420-L623 HydrophobicContact CD2-CD2 4.31Å; L420-L623 HydrophobicContact CD2-CG 4.26Å; L420-L623 HydrophobicContact CG-CB 4.26Å; L420-L623 HydrophobicContact CG-CD2 4.35Å; L420-L623 HydrophobicContact CG-CG 4.49Å; A619-L623 VanDerWaalsContact O-CD2 3.23Å; A619-L623 WeakPolarHBondContact O-CD2 3.2Å; A619-L623 WeakPolarHBondContact O-CG 3.45Å; A619-L623 PolarHBondContact O-N 3.26Å; A620-L623 HydrophobicContact CB-CD1 4.44Å; A620-L623 CarbonylContact O-C 3.58Å; A620-L623 WeakPolarHBondContact O-CB 3.49Å; A620-L623 PolarHBondContact O-N 3.09Å; Q621-L623 VanDerWaalsContact C-N 3.35Å |
| 624 | A | 36.7 | Very low | 34.9 | Very low | 81 Ų | 81 | 68.9 Ų | 68.9 | 67% | 0.669 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -25.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A620 Q621 L622 G626 | A620-A624 PolarHBondContact O-N 3.49Å; A620-A624 VanDerWaalsContact O-N 3.11Å; Q621-A624 CarbonylContact O-C 3.6Å; Q621-A624 PolarHBondContact O-N 2.82Å; L622-A624 PolarHBondContact O-N 2.91Å; A624-G626 PolarHBondContact O-N 3.32Å |
| 625 | S | 35.4 | Very low | 33.9 | Very low | 68 Ų | 68 | 74.2 Ų | 74.2 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | trans | -97.2 | 58.2 | -174.4 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | Q621 A627 | Q621-S625 VanDerWaalsContact O-CB 3.27Å; Q621-S625 WeakPolarHBondContact O-CB 3.48Å; Q621-S625 PolarHBondContact O-N 3.46Å; Q621-S625 PolarHBondContact O-OG 3.07Å; S625-A627 VanDerWaalsContact C-N 3.3Å; S625-A627 PolarHBondContact O-N 3.29Å | ||
| 626 | G | 30.5 | Very low | 32.9 | Very low | 47 Ų | 47 | 76.7 Ų | 76.7 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | trans | -73.6 | 79.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A624 | A624-G626 PolarHBondContact O-N 3.32Š| ||
| 627 | A | 27.6 | Very low | 32 | Very low | 91 Ų | 91 | 84.3 Ų | 84.3 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | trans | -140.7 | 90.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S625 | S625-A627 VanDerWaalsContact C-N 3.3Å; S625-A627 PolarHBondContact O-N 3.29Å | ||
| 628 | T | 28.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 91.4 Ų | 91.4 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | trans | -125.6 | 102.3 | 172.5 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | S630 | T628-S630 PolarHBondContact O-N 2.81Š| ||
| 629 | D | 25.2 | Very low | 30.1 | Very low | 161 Ų | 161 | 93.9 Ų | 93.9 | 86% | 0.861 | 60% | 0.595 | S | S | * | * | trans | -62 | 117.6 | 170.3 | -71.7 | -42.9 | 0 | 0 | 0 | 109.5 | V631 | D629-V631 PolarHBondContact O-N 2.97Š| ||
| 630 | S | 24.2 | Very low | 29.3 | Very low | 113 Ų | 113 | 99 Ų | 99 | 79% | 0.79 | 63% | 0.626 | S | S | * | * | trans | -74.1 | 92.2 | -179.6 | 54 | 0 | 0 | 0 | 0 | 110.4 | T628 N632 | T628-S630 PolarHBondContact O-N 2.81Å; S630-N632 VanDerWaalsContact C-N 3.3Å; S630-N632 PolarHBondContact O-N 2.76Å | ||
| 631 | V | 25.1 | Very low | 28.8 | Very low | 128 Ų | 128 | 104.5 Ų | 104.5 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | trans | -73.2 | 89.2 | 168.4 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | D629 M633 | D629-V631 PolarHBondContact O-N 2.97Å; V631-M633 PolarHBondContact O-N 3.45Å; V631-M633 VanDerWaalsContact O-N 3.11Å | ||
| 632 | N | 22.6 | Very low | 27.9 | Very low | 125 Ų | 125 | 109 Ų | 109 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | trans | -71.1 | 101.9 | 179.1 | -156 | 49 | 0 | 0 | 0 | 109.6 | S630 D634 | S630-N632 VanDerWaalsContact C-N 3.3Å; S630-N632 PolarHBondContact O-N 2.76Å; N632-D634 VanDerWaalsContact C-N 3.31Å; N632-D634 PolarHBondContact ND2-OD1 3.3Å; N632-D634 PolarHBondContact O-N 3.09Å | ||
| 633 | M | 23 | Very low | 27.2 | Very low | 165 Ų | 165 | 114.2 Ų | 114.2 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | trans | -76 | 81.5 | 173.8 | -87 | -79.6 | -167.6 | 0 | 0 | 109.9 | V631 S635 | V631-M633 PolarHBondContact O-N 3.45Å; V631-M633 VanDerWaalsContact O-N 3.11Å; M633-S635 PolarHBondContact O-N 2.98Å | ||
| 634 | D | 22.4 | Very low | 26.4 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -60.8 | 110.7 | 176.9 | -93 | -29 | 0 | 0 | 0 | 111.1 | N632 G636 | N632-D634 VanDerWaalsContact C-N 3.31Å; N632-D634 PolarHBondContact ND2-OD1 3.3Å; N632-D634 PolarHBondContact O-N 3.09Å; D634-G636 VanDerWaalsContact C-N 3.35Å; D634-G636 PolarHBondContact O-N 3.23Å | ||
| 635 | S | 23.6 | Very low | 25.8 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -80.7 | 80.8 | 177 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | M633 | M633-S635 PolarHBondContact O-N 2.98Š| ||
| 636 | G | 22.5 | Very low | 25.2 | Very low | 64 Ų | 64 | 123.3 Ų | 123.3 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | trans | -149.4 | 48.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | D634 | D634-G636 VanDerWaalsContact C-N 3.35Å; D634-G636 PolarHBondContact O-N 3.23Å | ||
| 637 | L | 24.4 | Very low | 25 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -145.8 | 62.6 | 167.8 | -152.2 | 72.7 | 0 | 0 | 0 | 114.3 | G639 | L637-G639 VanDerWaalsContact C-N 3.34Å; L637-G639 PolarHBondContact O-N 2.93Å | ||
| 638 | L | 22.8 | Very low | 24.8 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 84.3 | 154 | -89.1 | 89.2 | 0 | 0 | 0 | 109 | ||||
| 639 | G | 26.5 | Very low | 24.8 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 118.2 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | L637 | L637-G639 VanDerWaalsContact C-N 3.34Å; L637-G639 PolarHBondContact O-N 2.93Å | ||
| 640 | T | 24.4 | Very low | 24.8 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -69.6 | 138.2 | 175.9 | 42.3 | 0 | 0 | 0 | 0 | 110.9 | D642 | T640-D642 PolarHBondContact O-N 2.94Š| ||
| 641 | P | 31.7 | Very low | 25 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 94.8 | -174.8 | 33.9 | -32.9 | 0 | 0 | 0 | 111.3 | ||||
| 642 | D | 26.5 | Very low | 24.9 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -88.1 | 111.6 | 164.7 | -72.8 | -34.8 | 0 | 0 | 0 | 110.1 | T640 | T640-D642 PolarHBondContact O-N 2.94Š| ||
| 643 | D | 24.2 | Very low | 25.2 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 19.3 | 125.2 | 147.6 | -155.6 | 11.9 | 0 | 0 | 0 | 119.9 | ||||
| 644 | V | 26.5 | Very low | 25.3 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 164.1 | 136.7 | 130.8 | 154.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 645 | G | 25 | Very low | 25.5 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 98.2 | 84.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | N647 | G645-N647 PolarHBondContact O-N 2.9Š| ||
| 646 | I | 22 | Very low | 25.4 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -59.7 | 122.5 | 156.6 | -62.4 | 161.9 | 0 | 0 | 0 | 108.5 | ||||
| 647 | N | 26.1 | Very low | 25.7 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -142.8 | 110.7 | 151.5 | -91.7 | -36 | 0 | 0 | 0 | 108.7 | G645 | G645-N647 PolarHBondContact O-N 2.9Š| ||
| 648 | Q | 24 | Very low | 25.7 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -74.1 | 130.6 | 162.7 | -67.5 | 170 | -33.4 | 0 | 0 | 107.4 | ||||
| 649 | D | 28.3 | Very low | 25.7 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -155.1 | 129.5 | 140.2 | -104.6 | -33.1 | 0 | 0 | 0 | 110.9 | V651 | D649-V651 PolarHBondContact O-N 3.47Š| ||
| 650 | N | 24.5 | Very low | 25.5 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -77.6 | 116.7 | -179.8 | -73.3 | -43.2 | 0 | 0 | 0 | 109.8 | ||||
| 651 | V | 29.6 | Very low | 25.6 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | -122.7 | 100.2 | 159.4 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | D649 I653 | D649-V651 PolarHBondContact O-N 3.47Å; V651-I653 HydrophobicContact CG1-CD1 4.27Å; V651-I653 HydrophobicContact CG1-CG1 3.9Å; V651-I653 PolarHBondContact O-N 3.23Å | ||
| 652 | N | 22.8 | Very low | 25.2 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -73.6 | 107.7 | 173.8 | -175.4 | 34.2 | 0 | 0 | 0 | 109.2 | ||||
| 653 | I | 28.8 | Very low | 25.3 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -105.1 | 102.8 | 178 | -59.1 | -174.4 | 0 | 0 | 0 | 109.8 | V651 V655 | V651-I653 HydrophobicContact CG1-CD1 4.27Å; V651-I653 HydrophobicContact CG1-CG1 3.9Å; V651-I653 PolarHBondContact O-N 3.23Å; I653-V655 PolarHBondContact O-N 2.89Å | ||
| 654 | D | 25.1 | Very low | 25.3 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | trans | -65.3 | 106.7 | 174.5 | -176.7 | 30.6 | 0 | 0 | 0 | 110.3 | K656 | D654-K656 PolarHBondContact O-N 3.44Å; D654-K656 VanDerWaalsContact OD2-CE 3.23Å; D654-K656 WeakPolarHBondContact OD2-CE 3.33Å; D654-K656 IonicContact OD2-NZ 3.52Å; D654-K656 PolarHBondContact OD2-NZ 3.38Å; D654-K656 VanDerWaalsContact OD2-NZ 3.13Å | ||
| 655 | V | 25.6 | Very low | 25.1 | Very low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 93.3 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | I653 | I653-V655 PolarHBondContact O-N 2.89Š| ||
| 656 | K | 22.7 | Very low | 25.1 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -89.6 | 140.5 | 166.2 | -78.4 | 175.4 | -179 | 150.6 | 0 | 111.2 | D654 | D654-K656 PolarHBondContact O-N 3.44Å; D654-K656 VanDerWaalsContact OD2-CE 3.23Å; D654-K656 WeakPolarHBondContact OD2-CE 3.33Å; D654-K656 IonicContact OD2-NZ 3.52Å; D654-K656 PolarHBondContact OD2-NZ 3.38Å; D654-K656 VanDerWaalsContact OD2-NZ 3.13Å | ||
| 657 | P | 27.5 | Very low | 25.3 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -75.3 | 139.4 | -170.1 | 30.9 | -35.3 | 0 | 0 | 0 | 111.6 | T659 | P657-T659 PolarHBondContact O-N 3.24Š| ||
| 658 | I | 25.2 | Very low | 25.2 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -84.5 | 107.8 | 172.7 | -62.9 | 171 | 0 | 0 | 0 | 108 | ||||
| 659 | T | 22.9 | Very low | 25.2 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -83.2 | 146.1 | 165.6 | 8.9 | 0 | 0 | 0 | 0 | 110.9 | P657 | P657-T659 PolarHBondContact O-N 3.24Š| ||
| 660 | E | 23 | Very low | 25 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 52.5 | 101.4 | 151.5 | -64.2 | 175.5 | 167.1 | 0 | 0 | 118.2 | ||||
| 661 | Q | 24.8 | Very low | 25 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 94% | 0.935 | 77% | 0.767 | S | S | * | * | trans | -142.3 | 132.6 | 139 | -116.6 | 169.7 | 14.7 | 0 | 0 | 111.7 | ||||
| 662 | L | 24.8 | Very low | 24.7 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 137.3 | -176.4 | -61.3 | 151.8 | 0 | 0 | 0 | 110.6 | ||||
| 663 | V | 27.9 | Very low | 24.7 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -141.7 | 124.1 | 158.6 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 664 | D | 24.3 | Very low | 24.4 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -74.4 | 168.1 | -175.2 | -66.2 | -63.7 | 0 | 0 | 0 | 114.7 | ||||
| 665 | D | 22.5 | Very low | 24.3 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -38.8 | 125.8 | 176.6 | -74.6 | -44.4 | 0 | 0 | 0 | 116.3 | ||||
| 666 | Y | 24.5 | Very low | 24.2 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -151.9 | 80.3 | 141.6 | -143.9 | -117.2 | 0 | 0 | 0 | 112.7 | V668 | Y666-V668 HydrophobicContact CD1-CG2 3.36Å; Y666-V668 HydrophobicContact CE1-CG2 3.36Å; Y666-V668 HydrophobicContact CG-CG2 4.43Å; Y666-V668 PolarHBondContact O-N 3.26Å | ||
| 667 | I | 25.5 | Very low | 24.2 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | -74.1 | 90.3 | 171.2 | -58.7 | 177.3 | 0 | 0 | 0 | 109.1 | N669 | I667-N669 PolarHBondContact O-N 2.97Š| ||
| 668 | V | 24.8 | Very low | 23.9 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 56% | 0.564 | 79% | 0.791 | S | S | * | * | trans | -82.6 | 109.1 | 164 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | Y666 T670 | Y666-V668 HydrophobicContact CD1-CG2 3.36Å; Y666-V668 HydrophobicContact CE1-CG2 3.36Å; Y666-V668 HydrophobicContact CG-CG2 4.43Å; Y666-V668 PolarHBondContact O-N 3.26Å; V668-T670 PolarHBondContact O-N 3.38Å | ||
| 669 | N | 24.6 | Very low | 23.9 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -62.3 | 92.3 | 173 | -74 | -32.7 | 0 | 0 | 0 | 110.8 | I667 A671 | I667-N669 PolarHBondContact O-N 2.97Å; N669-A671 PolarHBondContact O-N 3.3Å | ||
| 670 | T | 22.8 | Very low | 23.8 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | -75.5 | 79.3 | 171.1 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | V668 V672 | V668-T670 PolarHBondContact O-N 3.38Å; T670-V672 PolarHBondContact O-N 3.02Å; T670-V672 VanDerWaalsContact O-N 3.1Å | ||
| 671 | A | 24.5 | Very low | 23.9 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -64.2 | 108.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | N669 T673 | N669-A671 PolarHBondContact O-N 3.3Å; A671-T673 PolarHBondContact O-N 2.99Å | ||
| 672 | V | 24.4 | Very low | 23.9 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -57.8 | 123.7 | -178.3 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | T670 V674 | T670-V672 PolarHBondContact O-N 3.02Å; T670-V672 VanDerWaalsContact O-N 3.1Å; V672-V674 PolarHBondContact O-N 3.36Å | ||
| 673 | T | 21.4 | Very low | 23.8 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -77.3 | 90.5 | -175.5 | -35.8 | 0 | 0 | 0 | 0 | 110.4 | A671 T675 | A671-T673 PolarHBondContact O-N 2.99Å; T673-T675 PolarHBondContact O-N 2.91Å | ||
| 674 | V | 24.2 | Very low | 23.6 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 120.2 | 172.5 | -179 | 0 | 0 | 0 | 0 | 109.3 | V672 S676 | V672-V674 PolarHBondContact O-N 3.36Å; V674-S676 PolarHBondContact O-N 3.48Å | ||
| 675 | T | 21.6 | Very low | 23.7 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 95.2 | -175.6 | -10.1 | 0 | 0 | 0 | 0 | 111.3 | T673 A677 | T673-T675 PolarHBondContact O-N 2.91Å; T675-A677 PolarHBondContact O-N 2.94Å; T675-A677 VanDerWaalsContact O-N 3.08Å | ||
| 676 | S | 23.2 | Very low | 23.8 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -67.2 | 104.4 | 176.7 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | V674 T678 | V674-S676 PolarHBondContact O-N 3.48Å; S676-T678 PolarHBondContact O-N 3.48Å | ||
| 677 | A | 23 | Very low | 23.8 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -61.8 | 133.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T675 N679 | T675-A677 PolarHBondContact O-N 2.94Å; T675-A677 VanDerWaalsContact O-N 3.08Å; A677-N679 PolarHBondContact O-N 3.4Å | ||
| 678 | T | 22.2 | Very low | 23.7 | Very low | 133 Ų | 133 | 125 Ų | 125 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -63.4 | 119.7 | -175.4 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | S676 | S676-T678 PolarHBondContact O-N 3.48Š| ||
| 679 | N | 24 | Very low | 23.7 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -145.2 | 97.2 | 155.7 | -96.4 | -35.4 | 0 | 0 | 0 | 110.3 | A677 V681 | A677-N679 PolarHBondContact O-N 3.4Å; N679-V681 PolarHBondContact O-N 3.08Å | ||
| 680 | T | 22 | Very low | 23.9 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 110.9 | 172.5 | 40 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 681 | V | 24.8 | Very low | 24 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -137.7 | 124.1 | 154.1 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | N679 | N679-V681 PolarHBondContact O-N 3.08Š| ||
| 682 | N | 25.2 | Very low | 23.9 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -27.8 | 132.8 | -176.6 | -63 | -12.3 | 0 | 0 | 0 | 119.4 | ||||
| 683 | S | 22.6 | Very low | 24 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -65.5 | 132.6 | 166.8 | -32.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 684 | S | 23.9 | Very low | 24.2 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -143 | 80.9 | 159.2 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | N686 | S684-N686 PolarHBondContact O-N 3.13Å; S684-N686 VanDerWaalsContact O-N 3.14Å | ||
| 685 | S | 25.5 | Very low | 24.3 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -81.3 | 84.6 | -171.3 | -50.8 | 0 | 0 | 0 | 0 | 112.8 | S687 | S685-S687 VanDerWaalsContact C-N 3.34Å; S685-S687 PolarHBondContact O-N 3.22Å | ||
| 686 | N | 24.4 | Very low | 24.5 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -87.8 | 73.3 | 168 | -78.7 | -0.8 | 0 | 0 | 0 | 110.8 | S684 T688 | S684-N686 PolarHBondContact O-N 3.13Å; S684-N686 VanDerWaalsContact O-N 3.14Å; N686-T688 PolarHBondContact O-N 2.92Å | ||
| 687 | S | 24.7 | Very low | 24.6 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -82.3 | 91.7 | 172 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | S685 V689 | S685-S687 VanDerWaalsContact C-N 3.34Å; S685-S687 PolarHBondContact O-N 3.22Å; S687-V689 PolarHBondContact O-N 3.02Å | ||
| 688 | T | 24.2 | Very low | 24.8 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -71.2 | 90.9 | 177 | -46 | 0 | 0 | 0 | 0 | 110.4 | N686 V690 | N686-T688 PolarHBondContact O-N 2.92Å; T688-V690 PolarHBondContact O-N 3.35Å | ||
| 689 | V | 25.3 | Very low | 25.1 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -65.9 | 111.8 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | S687 T691 | S687-V689 PolarHBondContact O-N 3.02Å; V689-T691 PolarHBondContact O-N 2.8Å | ||
| 690 | V | 27 | Very low | 25.3 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 102.3 | 171.3 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | T688 | T688-V690 PolarHBondContact O-N 3.35Š| ||
| 691 | T | 25.3 | Very low | 25.8 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -66.7 | 135.7 | -175.4 | -44.1 | 0 | 0 | 0 | 0 | 111.9 | V689 | V689-T691 PolarHBondContact O-N 2.8Š| ||
| 692 | S | 22.9 | Very low | 26.2 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -42.8 | 140.5 | 174.3 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 693 | V | 25.7 | Very low | 27 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -123.6 | 120 | 166 | -157.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 694 | T | 27.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | 58.9 | 108.8 | 162.4 | 45.5 | 0 | 0 | 0 | 0 | 119.9 | G696 | T694-G696 PolarHBondContact O-N 2.85Š| ||
| 695 | S | 25.2 | Very low | 29.9 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 95% | 0.951 | 75% | 0.753 | S | S | * | * | trans | -50.4 | 121.3 | 164.5 | -42.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 696 | G | 26.2 | Very low | 31.8 | Very low | 69 Ų | 69 | 118.4 Ų | 118.4 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -140.1 | 121.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | T694 G698 | T694-G696 PolarHBondContact O-N 2.85Å; G696-G698 VanDerWaalsContact C-N 3.27Å; G696-G698 PolarHBondContact O-N 3.31Å | ||
| 697 | S | 26.1 | Very low | 34 | Very low | 140 Ų | 140 | 114.3 Ų | 114.3 | 98% | 0.979 | 70% | 0.696 | S | S | * | * | trans | -74.4 | 77.1 | -177.4 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 698 | G | 26.4 | Very low | 36.1 | Very low | 59 Ų | 59 | 112.8 Ų | 112.8 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | trans | -108.8 | 132.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G696 T700 | G696-G698 VanDerWaalsContact C-N 3.27Å; G696-G698 PolarHBondContact O-N 3.31Å; G698-T700 PolarHBondContact O-N 2.98Å | ||
| 699 | N | 27.6 | Very low | 38.7 | Very low | 162 Ų | 162 | 109.1 Ų | 109.1 | 87% | 0.866 | 65% | 0.654 | S | S | * | * | trans | -49.7 | 116.9 | 177.3 | -79.4 | -9.9 | 0 | 0 | 0 | 110.3 | I701 | N699-I701 VanDerWaalsContact C-N 3.27Å; N699-I701 PolarHBondContact O-N 3.33Å | ||
| 700 | T | 28.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 104.8 Ų | 104.8 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | trans | -67.9 | 91.9 | 167.3 | 48.9 | 0 | 0 | 0 | 0 | 107.8 | G698 N702 | G698-T700 PolarHBondContact O-N 2.98Å; T700-N702 PolarHBondContact O-N 3.26Å | ||
| 701 | I | 33.1 | Very low | 44.2 | Very low | 110 Ų | 110 | 99.1 Ų | 99.1 | 56% | 0.564 | 59% | 0.593 | S | S | * | * | trans | -57.1 | 114.2 | 166 | -63.1 | 173 | 0 | 0 | 0 | 105.6 | N699 Y703 | N699-I701 VanDerWaalsContact C-N 3.27Å; N699-I701 PolarHBondContact O-N 3.33Å; I701-Y703 HydrophobicContact CB-CD2 4.4Å; I701-Y703 HydrophobicContact CB-CE2 3.9Å; I701-Y703 HydrophobicContact CG2-CD1 4.34Å; I701-Y703 HydrophobicContact CG2-CD2 4.36Å; I701-Y703 HydrophobicContact CG2-CE1 4.02Å; I701-Y703 HydrophobicContact CG2-CE2 4.04Å; I701-Y703 HydrophobicContact CG2-CG 4.5Å; I701-Y703 WeakPolarHBondContact O-CD2 3.32Å; I701-Y703 PolarHBondContact O-N 3.38Å | ||
| 702 | N | 32.9 | Very low | 47.2 | Very low | 130 Ų | 130 | 94.1 Ų | 94.1 | 70% | 0.695 | 56% | 0.562 | S | S | * | * | trans | -71.9 | 83.7 | 179.7 | -81 | -20.1 | 0 | 0 | 0 | 108.9 | T700 F704 | T700-N702 PolarHBondContact O-N 3.26Å; N702-F704 PolarHBondContact O-N 3.35Å | ||
| 703 | Y | 42.7 | Very low | 50.2 | Low | 177 Ų | 177 | 88.9 Ų | 88.9 | 69% | 0.694 | 53% | 0.525 | S | S | * | . | trans | -64.3 | 105.1 | 170.9 | -64.9 | -77.5 | 0 | 0 | 0 | 109.1 | I701 S705 | I701-Y703 HydrophobicContact CB-CD2 4.4Å; I701-Y703 HydrophobicContact CB-CE2 3.9Å; I701-Y703 HydrophobicContact CG2-CD1 4.34Å; I701-Y703 HydrophobicContact CG2-CD2 4.36Å; I701-Y703 HydrophobicContact CG2-CE1 4.02Å; I701-Y703 HydrophobicContact CG2-CE2 4.04Å; I701-Y703 HydrophobicContact CG2-CG 4.5Å; I701-Y703 WeakPolarHBondContact O-CD2 3.32Å; I701-Y703 PolarHBondContact O-N 3.38Å; Y703-S705 PolarHBondContact O-N 2.93Å | ||
| 704 | F | 52.4 | Low | 53.4 | Low | 134 Ų | 134 | 83 Ų | 83 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 129 | 168.2 | -65.8 | -76.3 | 0 | 0 | 0 | 109 | N702 V706 | N702-F704 PolarHBondContact O-N 3.35Å; F704-V706 PolarHBondContact O-N 3.23Å |
| 705 | S | 54.1 | Low | 56.6 | Low | 112 Ų | 112 | 76.6 Ų | 76.6 | 78% | 0.783 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 118.5 | 174.8 | -167.9 | 0 | 0 | 0 | 0 | 108.7 | Y703 R707 | Y703-S705 PolarHBondContact O-N 2.93Å; S705-R707 PolarHBondContact O-N 3.42Å |
| 706 | V | 65.6 | Low | 59.8 | Low | 25 Ų | 25 | 70.6 Ų | 70.6 | 15% | 0.152 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 125.7 | -175.7 | 179.9 | 0 | 0 | 0 | 0 | 110 | P521 F704 H708 | P521-V706 HydrophobicContact CB-CG2 4.34Å; P521-V706 HydrophobicContact CG-CG1 4.34Å; P521-V706 HydrophobicContact CG-CG2 4.2Å; F704-V706 PolarHBondContact O-N 3.23Å; V706-H708 PolarHBondContact O-CE1 2.85Å; V706-H708 VanDerWaalsContact O-CE1 3.24Å; V706-H708 PolarHBondContact O-ND1 3.38Å |
| 707 | R | 71.1 | Confident | 63 | Low | 69 Ų | 69 | 68.7 Ų | 68.7 | 26% | 0.26 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 130.8 | 176.3 | -66 | 177.9 | 63.8 | 175.1 | 1.6 | 109.1 | E518 S705 D709 A712 | E518-R707 PolarHBondContact O-N 3.03Å; E518-R707 IonicContact OE2-NH1 3.34Å; S705-R707 PolarHBondContact O-N 3.42Å; R707-D709 IonicContact CZ-OD2 2.92Å; R707-D709 IonicContact NE-OD1 3.82Å; R707-D709 IonicContact NE-OD2 3.37Å; R707-D709 PolarHBondContact NE-OD2 3.37Å; R707-D709 IonicContact NH2-OD1 2.87Å; R707-D709 IonicContact NH2-OD2 3.96Å; R707-D709 PolarHBondContact NH2-OD2 2.96Å; R707-A712 HydrophobicContact CB-CB 3.57Å; R707-A712 WeakPolarHBondContact O-CB 3.3Å |
| 708 | H | 68.2 | Low | 66.3 | Low | 68 Ų | 68 | 62 Ų | 62 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | trans | -110.1 | 4.3 | 179.1 | -65 | 73.1 | 0 | 0 | 0 | 112.1 | E614 Q617 Q621 V706 I713 | E614-H708 IonicContact OE1-CD2 3.65Å; E614-H708 IonicContact OE1-NE2 3.9Å; Q617-H708 PolarHBondContact OE1-CD2 2.88Å; Q621-H708 PolarHBondContact NE2-O 3.37Å; Q621-H708 VanDerWaalsContact NE2-O 3.16Å; Q621-H708 PolarHBondContact OE1-O 3.3Å; V706-H708 PolarHBondContact O-CE1 2.85Å; V706-H708 VanDerWaalsContact O-CE1 3.24Å; V706-H708 PolarHBondContact O-ND1 3.38Å; H708-I713 VanDerWaalsContact O-CD1 3.25Å; H708-I713 WeakPolarHBondContact O-CD1 3.36Å | ||
| 709 | D | 79.1 | Confident | 69.7 | Low | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -65 | 160.8 | -178.2 | 57.4 | 34.8 | 0 | 0 | 0 | 112.6 | Q621 R707 I711 A712 I713 | Q621-D709 VanDerWaalsContact OE1-CA 3.25Å; R707-D709 IonicContact CZ-OD2 2.92Å; R707-D709 IonicContact NE-OD1 3.82Å; R707-D709 IonicContact NE-OD2 3.37Å; R707-D709 PolarHBondContact NE-OD2 3.37Å; R707-D709 IonicContact NH2-OD1 2.87Å; R707-D709 IonicContact NH2-OD2 3.96Å; R707-D709 PolarHBondContact NH2-OD2 2.96Å; D709-I711 PolarHBondContact O-N 3Å; D709-I711 WeakPolarHBondContact OD1-CG2 3.23Å; D709-A712 PolarHBondContact O-N 3.04Å; D709-A712 WeakPolarHBondContact OD1-CB 3.37Å; D709-A712 PolarHBondContact OD1-N 2.8Å; D709-I713 PolarHBondContact O-N 2.76Å |
| 710 | S | 81.5 | Confident | 72.8 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -21.9 | -175.5 | 71 | 0 | 0 | 0 | 0 | 114 | F714 | S710-F714 PolarHBondContact O-N 3.42Å |
| 711 | I | 87.2 | Confident | 75.8 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -80.4 | -42 | 174.3 | -170 | 63.3 | 0 | 0 | 0 | 111.6 | I503 V506 D709 I713 F714 F715 | I503-I711 HydrophobicContact CD1-CD1 3.49Å; I503-I711 VanDerWaalsContact CD1-CD1 3.49Å; V506-I711 HydrophobicContact CG1-CB 4.13Å; V506-I711 HydrophobicContact CG1-CD1 3.82Å; V506-I711 HydrophobicContact CG1-CG1 3.74Å; D709-I711 PolarHBondContact O-N 3Å; D709-I711 WeakPolarHBondContact OD1-CG2 3.23Å; I711-I713 VanDerWaalsContact C-N 3.3Å; I711-I713 PolarHBondContact O-N 3.04Å; I711-F714 HydrophobicContact CD1-CD1 4.43Å; I711-F714 WeakPolarHBondContact O-CB 3.31Å; I711-F714 PolarHBondContact O-N 3.28Å; I711-F715 HydrophobicContact CD1-CD2 3.88Å; I711-F715 HydrophobicContact CD1-CE2 3.64Å; I711-F715 HydrophobicContact CG1-CD2 3.96Å; I711-F715 HydrophobicContact CG1-CE2 3.99Å; I711-F715 WeakPolarHBondContact O-CD2 3.49Å; I711-F715 PolarHBondContact O-N 3.35Å |
| 712 | A | 88.2 | Confident | 78.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | V519 R707 D709 F715 R716 | V519-A712 HydrophobicContact CB-CB 4.19Å; V519-A712 HydrophobicContact CG1-CB 3.63Å; R707-A712 HydrophobicContact CB-CB 3.57Å; R707-A712 WeakPolarHBondContact O-CB 3.3Å; D709-A712 PolarHBondContact O-N 3.04Å; D709-A712 WeakPolarHBondContact OD1-CB 3.37Å; D709-A712 PolarHBondContact OD1-N 2.8Å; A712-F715 PolarHBondContact O-N 3.47Å; A712-R716 VanDerWaalsContact O-CB 3.3Å; A712-R716 WeakPolarHBondContact O-CB 3.3Å; A712-R716 PolarHBondContact O-N 2.85Å |
| 713 | I | 85.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 178 | -68.2 | 174.8 | 0 | 0 | 0 | 111.6 | Y464 E614 A618 H708 D709 I711 Q717 | Y464-I713 PolarHBondContact OH-O 3.07Å; E614-I713 WeakPolarHBondContact O-CD1 3.49Å; A618-I713 HydrophobicContact CB-CB 4.32Å; A618-I713 HydrophobicContact CB-CD1 3.42Å; A618-I713 VanDerWaalsContact CB-CD1 3.42Å; A618-I713 HydrophobicContact CB-CG1 4.44Å; A618-I713 HydrophobicContact CB-CG2 4.14Å; H708-I713 VanDerWaalsContact O-CD1 3.25Å; H708-I713 WeakPolarHBondContact O-CD1 3.36Å; D709-I713 PolarHBondContact O-N 2.76Å; I711-I713 VanDerWaalsContact C-N 3.3Å; I711-I713 PolarHBondContact O-N 3.04Å; I713-Q717 PolarHBondContact O-N 3.34Å; I713-Q717 VanDerWaalsContact O-N 3.16Å |
| 714 | F | 92.6 | Very high | 84.4 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -53.7 | 169.9 | 175 | -89.8 | 0 | 0 | 0 | 111.5 | Y464 L492 A496 W497 I503 S710 I711 R716 Q717 T718 | Y464-F714 AromaticContact CD1-CD2 3.93Å; Y464-F714 HydrophobicContact CD1-CD2 3.93Å; Y464-F714 HydrophobicContact CE1-CB 3.94Å; Y464-F714 AromaticContact CE1-CD2 3.8Å; Y464-F714 HydrophobicContact CE1-CD2 3.8Å; Y464-F714 HydrophobicContact CE1-CG 4.37Å; Y464-F714 HydrophobicContact CG-CD2 4.4Å; Y464-F714 WeakPolarHBondContact OH-CA 3.17Å; L492-F714 HydrophobicContact CD2-CD2 3.7Å; L492-F714 HydrophobicContact CD2-CE2 3.55Å; L492-F714 HydrophobicContact CD2-CG 4.38Å; L492-F714 HydrophobicContact CD2-CZ 4.11Å; A496-F714 HydrophobicContact CB-CE2 3.63Å; A496-F714 HydrophobicContact CB-CZ 3.42Å; A496-F714 VanDerWaalsContact CB-CZ 3.42Å; W497-F714 AromaticContact CH2-CE1 3.67Å; W497-F714 HydrophobicContact CH2-CE1 3.67Å; W497-F714 HydrophobicContact CH2-CZ 4.19Å; W497-F714 AromaticContact CZ2-CE1 3.77Å; W497-F714 HydrophobicContact CZ2-CE1 3.77Å; W497-F714 AromaticContact CZ2-CZ 3.91Å; W497-F714 HydrophobicContact CZ2-CZ 3.91Å; W497-F714 HydrophobicContact CZ3-CE1 4.49Å; I503-F714 HydrophobicContact CD1-CD1 3.84Å; I503-F714 HydrophobicContact CD1-CE1 3.7Å; I503-F714 HydrophobicContact CD1-CG 4.43Å; I503-F714 HydrophobicContact CD1-CZ 4.18Å; I503-F714 HydrophobicContact CG1-CE1 4.38Å; S710-F714 PolarHBondContact O-N 3.42Å; I711-F714 HydrophobicContact CD1-CD1 4.43Å; I711-F714 WeakPolarHBondContact O-CB 3.31Å; I711-F714 PolarHBondContact O-N 3.28Å; F714-R716 VanDerWaalsContact C-N 3.33Å; F714-R716 PolarHBondContact O-N 3.28Å; F714-Q717 PolarHBondContact O-N 3.45Å; F714-T718 PolarHBondContact O-N 3.34Å; F714-T718 PolarHBondContact O-OG1 2.85Å; F714-T718 VanDerWaalsContact O-OG1 3.06Å |
| 715 | F | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 180 | -86.1 | -81.3 | 0 | 0 | 0 | 113.2 | W497 L507 A513 P514 I711 A712 Q717 T718 Y719 I751 | W497-F715 AromaticContact CH2-CE1 3.79Å; W497-F715 HydrophobicContact CH2-CE1 3.79Å; W497-F715 AromaticContact CH2-CZ 3.8Å; W497-F715 HydrophobicContact CH2-CZ 3.8Å; W497-F715 HydrophobicContact CZ3-CZ 4.23Å; L507-F715 HydrophobicContact CD1-CZ 4.5Å; L507-F715 HydrophobicContact CD2-CE2 3.95Å; L507-F715 HydrophobicContact CD2-CZ 3.89Å; A513-F715 HydrophobicContact CB-CD1 4.13Å; A513-F715 HydrophobicContact CB-CE1 3.44Å; A513-F715 VanDerWaalsContact CB-CE1 3.44Å; A513-F715 HydrophobicContact CB-CE2 4.03Å; A513-F715 HydrophobicContact CB-CZ 3.39Å; P514-F715 VanDerWaalsContact CD-CD2 3.46Å; P514-F715 HydrophobicContact CG-CB 3.78Å; P514-F715 HydrophobicContact CG-CD2 3.77Å; P514-F715 HydrophobicContact CG-CG 3.8Å; I711-F715 HydrophobicContact CD1-CD2 3.88Å; I711-F715 HydrophobicContact CD1-CE2 3.64Å; I711-F715 HydrophobicContact CG1-CD2 3.96Å; I711-F715 HydrophobicContact CG1-CE2 3.99Å; I711-F715 WeakPolarHBondContact O-CD2 3.49Å; I711-F715 PolarHBondContact O-N 3.35Å; A712-F715 PolarHBondContact O-N 3.47Å; F715-Q717 PolarHBondContact O-N 3.03Å; F715-T718 WeakPolarHBondContact O-CB 3.44Å; F715-T718 PolarHBondContact O-N 3.32Å; F715-Y719 HydrophobicContact CB-CD2 4.49Å; F715-Y719 HydrophobicContact CB-CE2 4.12Å; F715-Y719 WeakPolarHBondContact O-CD2 3.37Å; F715-Y719 PolarHBondContact O-N 2.81Å; F715-I751 HydrophobicContact CD1-CG2 3.77Å; F715-I751 HydrophobicContact CE1-CG2 3.63Å |
| 716 | R | 93.2 | Very high | 88.5 | Confident | 9 Ų | 9 | 19.9 Ų | 19.9 | 3% | 0.034 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 172.2 | 174.2 | 166.1 | 67.2 | -171.1 | 22.6 | 112.4 | V519 I520 E614 A712 F714 Y719 Q720 | V519-R716 HydrophobicContact CB-CB 4.19Å; V519-R716 HydrophobicContact CG2-CB 3.87Å; V519-R716 WeakPolarHBondContact O-CD 3.48Å; I520-R716 HydrophobicContact CD1-CG 4.38Å; I520-R716 HydrophobicContact CG1-CG 4.02Å; E614-R716 VanDerWaalsContact CD-NH1 3.28Å; E614-R716 IonicContact OE1-CZ 3.43Å; E614-R716 IonicContact OE1-NH1 3.85Å; E614-R716 PolarHBondContact OE1-NH1 3.14Å; E614-R716 IonicContact OE1-NH2 2.85Å; E614-R716 PolarHBondContact OE1-NH2 2.96Å; E614-R716 IonicContact OE2-CZ 3.72Å; E614-R716 IonicContact OE2-NH1 3.53Å; E614-R716 PolarHBondContact OE2-NH1 3.36Å; E614-R716 IonicContact OE2-NH2 3.83Å; E614-R716 PolarHBondContact OE2-NH2 3.22Å; A712-R716 VanDerWaalsContact O-CB 3.3Å; A712-R716 WeakPolarHBondContact O-CB 3.3Å; A712-R716 PolarHBondContact O-N 2.85Å; F714-R716 VanDerWaalsContact C-N 3.33Å; F714-R716 PolarHBondContact O-N 3.28Å; R716-Y719 PolarHBondContact O-N 3.29Å; R716-Q720 WeakPolarHBondContact O-CG 3.22Å; R716-Q720 PolarHBondContact O-N 3.29Å |
| 717 | Q | 92.9 | Very high | 90 | Very high | 30 Ų | 30 | 20.9 Ų | 20.9 | 14% | 0.14 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.2 | -37.3 | 176.8 | -67.2 | -167.2 | 15.3 | 0 | 0 | 111.2 | Y464 E468 L492 I713 F714 F715 Y719 Q720 V721 | Y464-Q717 WeakPolarHBondContact OH-CG 3.4Å; Y464-Q717 PolarHBondContact OH-NE2 2.96Å; Y464-Q717 PolarHBondContact OH-OE1 3.26Å; E468-Q717 PolarHBondContact OE2-NE2 3.03Å; L492-Q717 HydrophobicContact CD1-CB 3.71Å; L492-Q717 HydrophobicContact CD2-CB 4.15Å; I713-Q717 PolarHBondContact O-N 3.34Å; I713-Q717 VanDerWaalsContact O-N 3.16Å; F714-Q717 PolarHBondContact O-N 3.45Å; F715-Q717 PolarHBondContact O-N 3.03Å; Q717-Y719 PolarHBondContact O-N 3.33Å; Q717-Q720 PolarHBondContact O-N 3Å; Q717-V721 WeakPolarHBondContact O-CG2 3.46Å; Q717-V721 PolarHBondContact O-N 3.11Å |
| 718 | T | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.9 | -48.3 | 170.7 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | W497 F714 F715 V721 A722 L763 | W497-T718 HydrophobicContact CZ2-CG2 4.07Å; F714-T718 PolarHBondContact O-N 3.34Å; F714-T718 PolarHBondContact O-OG1 2.85Å; F714-T718 VanDerWaalsContact O-OG1 3.06Å; F715-T718 WeakPolarHBondContact O-CB 3.44Å; F715-T718 PolarHBondContact O-N 3.32Å; T718-V721 PolarHBondContact O-N 3.43Å; T718-A722 VanDerWaalsContact O-CB 3.32Å; T718-A722 WeakPolarHBondContact O-CB 3.47Å; T718-A722 PolarHBondContact O-N 3.04Å; T718-L763 HydrophobicContact CG2-CD2 4.18Å |
| 719 | Y | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.7 | -68.7 | -55.4 | 0 | 0 | 0 | 112.3 | P514 I516 V519 F715 R716 Q717 S723 W744 E748 I751 V752 | P514-Y719 PolarHBondContact O-OH 3.45Å; I516-Y719 HydrophobicContact CB-CD2 4.23Å; I516-Y719 HydrophobicContact CB-CE2 4.25Å; I516-Y719 HydrophobicContact CB-CG 4.44Å; I516-Y719 HydrophobicContact CD1-CG 4.48Å; I516-Y719 HydrophobicContact CG1-CD2 4.26Å; I516-Y719 HydrophobicContact CG1-CG 4.32Å; V519-Y719 HydrophobicContact CG2-CD2 3.76Å; V519-Y719 HydrophobicContact CG2-CE2 3.93Å; F715-Y719 HydrophobicContact CB-CD2 4.49Å; F715-Y719 HydrophobicContact CB-CE2 4.12Å; F715-Y719 WeakPolarHBondContact O-CD2 3.37Å; F715-Y719 PolarHBondContact O-N 2.81Å; R716-Y719 PolarHBondContact O-N 3.29Å; Q717-Y719 PolarHBondContact O-N 3.33Å; Y719-S723 VanDerWaalsContact O-CB 3.23Å; Y719-S723 WeakPolarHBondContact O-CB 3.4Å; Y719-S723 PolarHBondContact O-N 3.09Å; Y719-S723 PolarHBondContact O-OG 2.96Å; Y719-W744 AromaticContact CD1-CH2 3.96Å; Y719-W744 HydrophobicContact CD1-CH2 3.96Å; Y719-W744 AromaticContact CD1-CZ2 3.93Å; Y719-W744 HydrophobicContact CD1-CZ2 3.93Å; Y719-W744 HydrophobicContact CG-CZ2 4.47Å; Y719-W744 WeakPolarHBondContact O-CH2 3.35Å; Y719-E748 HydrophobicContact CE1-CG 4.3Å; Y719-I751 HydrophobicContact CD1-CD1 4.01Å; Y719-I751 HydrophobicContact CE1-CB 4.11Å; Y719-I751 HydrophobicContact CE1-CD1 3.82Å; Y719-I751 HydrophobicContact CE1-CG2 3.75Å; Y719-V752 VanDerWaalsContact OH-CG2 3.23Å; Y719-V752 WeakPolarHBondContact OH-CG2 3.17Å |
| 720 | Q | 94 | Very high | 93.1 | Very high | 39 Ų | 39 | 14.1 Ų | 14.1 | 18% | 0.182 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.3 | -52.3 | 175 | -74.7 | 176.4 | -1.2 | 0 | 0 | 111.2 | R716 Q717 A722 S723 L724 | R716-Q720 WeakPolarHBondContact O-CG 3.22Å; R716-Q720 PolarHBondContact O-N 3.29Å; Q717-Q720 PolarHBondContact O-N 3Å; Q720-A722 PolarHBondContact O-N 2.96Å; Q720-S723 PolarHBondContact O-N 2.82Å; Q720-S723 PolarHBondContact O-OG 3.3Å; Q720-L724 WeakPolarHBondContact O-CG 3.33Å; Q720-L724 PolarHBondContact O-N 2.86Å |
| 721 | V | 91.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 20.6 Ų | 20.6 | 8% | 0.079 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E489 L492 Q717 T718 S723 L724 R725 | E489-V721 HydrophobicContact CG-CG2 4.48Å; L492-V721 HydrophobicContact CD1-CG2 3.94Å; Q717-V721 WeakPolarHBondContact O-CG2 3.46Å; Q717-V721 PolarHBondContact O-N 3.11Å; T718-V721 PolarHBondContact O-N 3.43Å; V721-S723 VanDerWaalsContact C-N 3.33Å; V721-S723 PolarHBondContact O-N 3.02Å; V721-L724 PolarHBondContact O-N 3.28Å; V721-R725 HydrophobicContact CG1-CG 4.48Å; V721-R725 VanDerWaalsContact CG1-NE 3.32Å; V721-R725 WeakPolarHBondContact O-CG 3.48Å; V721-R725 PolarHBondContact O-N 3.08Å |
| 722 | A | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T718 Q720 L726 W744 I747 L763 I767 | T718-A722 VanDerWaalsContact O-CB 3.32Å; T718-A722 WeakPolarHBondContact O-CB 3.47Å; T718-A722 PolarHBondContact O-N 3.04Å; Q720-A722 PolarHBondContact O-N 2.96Å; A722-L726 VanDerWaalsContact O-CB 3.32Å; A722-L726 WeakPolarHBondContact O-CB 3.37Å; A722-L726 PolarHBondContact O-N 2.81Å; A722-W744 HydrophobicContact CB-CH2 4.07Å; A722-W744 HydrophobicContact CB-CZ3 3.79Å; A722-I747 HydrophobicContact CB-CG2 4.48Å; A722-L763 HydrophobicContact CB-CD2 4.19Å; A722-I767 HydrophobicContact CB-CD1 4.29Å |
| 723 | S | 96.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.028 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.8 | -36.5 | -178.1 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | Y719 Q720 V721 R727 | Y719-S723 VanDerWaalsContact O-CB 3.23Å; Y719-S723 WeakPolarHBondContact O-CB 3.4Å; Y719-S723 PolarHBondContact O-N 3.09Å; Y719-S723 PolarHBondContact O-OG 2.96Å; Q720-S723 PolarHBondContact O-N 2.82Å; Q720-S723 PolarHBondContact O-OG 3.3Å; V721-S723 VanDerWaalsContact C-N 3.33Å; V721-S723 PolarHBondContact O-N 3.02Å; S723-R727 WeakPolarHBondContact O-CB 3.42Å; S723-R727 WeakPolarHBondContact O-CG 3.42Å; S723-R727 PolarHBondContact O-N 2.7Å |
| 724 | L | 93.7 | Very high | 94.4 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 29% | 0.293 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.4 | -48.5 | 175.6 | -71.5 | 168.5 | 0 | 0 | 0 | 110.7 | L607 Q720 V721 L726 R727 D728 L890 | L607-L724 HydrophobicContact CD1-CD1 3.54Å; L607-L724 HydrophobicContact CD2-CD1 3.95Å; L607-L724 HydrophobicContact CG-CD1 4.42Å; Q720-L724 WeakPolarHBondContact O-CG 3.33Å; Q720-L724 PolarHBondContact O-N 2.86Å; V721-L724 PolarHBondContact O-N 3.28Å; L724-L726 VanDerWaalsContact C-N 3.32Å; L724-L726 PolarHBondContact O-N 3.15Å; L724-R727 PolarHBondContact O-N 3.46Å; L724-D728 PolarHBondContact O-N 3.2Å; L724-L890 HydrophobicContact CD2-CD1 3.51Å |
| 725 | R | 95.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 4% | 0.038 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 177.4 | -66.8 | 178.8 | -174.3 | -174.6 | 4.3 | 111.3 | E489 D493 V721 L729 D764 I767 Q795 | E489-R725 IonicContact OE2-CZ 3.19Å; E489-R725 IonicContact OE2-NE 2.64Å; E489-R725 IonicContact OE2-NH2 3.89Å; E489-R725 PolarHBondContact OE2-NH2 3.18Å; D493-R725 VanDerWaalsContact CB-NH1 3.3Å; D493-R725 IonicContact OD2-CZ 3.45Å; D493-R725 IonicContact OD2-NH1 2.7Å; D493-R725 PolarHBondContact OD2-NH1 2.88Å; D493-R725 IonicContact OD2-NH2 3.47Å; D493-R725 PolarHBondContact OD2-NH2 2.8Å; V721-R725 HydrophobicContact CG1-CG 4.48Å; V721-R725 VanDerWaalsContact CG1-NE 3.32Å; V721-R725 WeakPolarHBondContact O-CG 3.48Å; V721-R725 PolarHBondContact O-N 3.08Å; R725-L729 VanDerWaalsContact O-CG 3.3Å; R725-L729 WeakPolarHBondContact O-CG 3.18Å; R725-L729 PolarHBondContact O-N 3.43Å; R725-D764 WeakPolarHBondContact CD-OD1 3.38Å; R725-D764 IonicContact CZ-OD1 3.26Å; R725-D764 IonicContact NE-OD1 3.3Å; R725-D764 IonicContact NH1-OD1 2.98Å; R725-D764 PolarHBondContact NH1-OD1 3.05Å; R725-D764 IonicContact NH1-OD2 3.34Å; R725-I767 HydrophobicContact CB-CD1 3.97Å; R725-Q795 PolarHBondContact O-NE2 2.72Å |
| 726 | L | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | 173.6 | 177.7 | 65 | 0 | 0 | 0 | 112.8 | A722 L724 D728 L729 C730 M740 I743 W744 I747 I767 I771 M887 | A722-L726 VanDerWaalsContact O-CB 3.32Å; A722-L726 WeakPolarHBondContact O-CB 3.37Å; A722-L726 PolarHBondContact O-N 2.81Å; L724-L726 VanDerWaalsContact C-N 3.32Å; L724-L726 PolarHBondContact O-N 3.15Å; L726-D728 PolarHBondContact O-N 2.95Å; L726-L729 PolarHBondContact O-N 3.31Å; L726-C730 VanDerWaalsContact CD1-SG 3.53Å; L726-C730 WeakPolarHBondContact O-CB 3.38Å; L726-C730 PolarHBondContact O-N 2.83Å; L726-C730 PolarHBondContact O-SG 2.95Å; L726-M740 HydrophobicContact CD2-CG 3.97Å; L726-M740 HydrophobicContact CG-CG 4.21Å; L726-I743 HydrophobicContact CD1-CB 4.35Å; L726-I743 HydrophobicContact CD1-CG2 3.52Å; L726-I743 HydrophobicContact CD2-CG2 4.27Å; L726-W744 HydrophobicContact CD2-CB 3.95Å; L726-W744 HydrophobicContact CD2-CE3 3.86Å; L726-I747 HydrophobicContact CD1-CD1 4.17Å; L726-I747 HydrophobicContact CD2-CD1 3.98Å; L726-I747 HydrophobicContact CG-CD1 4.45Å; L726-I767 HydrophobicContact CB-CG2 4.48Å; L726-I767 HydrophobicContact CD1-CG2 4.35Å; L726-I771 HydrophobicContact CD1-CD1 4.11Å; L726-I771 HydrophobicContact CD1-CG1 4.01Å; L726-M887 HydrophobicContact CD2-CE 4.03Å |
| 727 | R | 96.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 42 Ų | 42 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | -176.7 | -78 | 171.7 | -174.1 | -79.9 | 6.2 | 111.3 | D526 S723 L724 C730 E731 M740 M887 P888 | D526-R727 IonicContact OD2-NH2 2.79Å; S723-R727 WeakPolarHBondContact O-CB 3.42Å; S723-R727 WeakPolarHBondContact O-CG 3.42Å; S723-R727 PolarHBondContact O-N 2.7Å; L724-R727 PolarHBondContact O-N 3.46Å; R727-C730 PolarHBondContact O-N 3.37Å; R727-E731 WeakPolarHBondContact O-CB 3.44Å; R727-E731 PolarHBondContact O-N 3.18Å; R727-M740 HydrophobicContact CG-SD 3.84Å; R727-M887 HydrophobicContact CG-CE 4.08Å; R727-P888 PolarHBondContact NH2-O 3.34Å |
| 728 | D | 92.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.5 | 171.1 | 96.9 | 0 | 0 | 0 | 112.7 | L724 L726 E731 R732 Q795 | L724-D728 PolarHBondContact O-N 3.2Å; L726-D728 PolarHBondContact O-N 2.95Å; D728-E731 PolarHBondContact O-N 3.06Å; D728-R732 VanDerWaalsContact O-CG 3.29Å; D728-R732 WeakPolarHBondContact O-CG 3.46Å; D728-R732 PolarHBondContact O-N 3.4Å; D728-R732 IonicContact OD1-CZ 2.73Å; D728-R732 VanDerWaalsContact OD1-CZ 3.26Å; D728-R732 IonicContact OD1-NE 2.87Å; D728-R732 PolarHBondContact OD1-NE 3.23Å; D728-R732 IonicContact OD1-NH2 3.31Å; D728-R732 PolarHBondContact OD1-NH2 2.96Å; D728-R732 IonicContact OD2-CZ 3.77Å; D728-R732 IonicContact OD2-NE 2.68Å; D728-R732 PolarHBondContact OD2-NE 3.37Å; D728-R732 IonicContact OD2-NH2 3.68Å; D728-Q795 WeakPolarHBondContact OD2-CG 3.34Å; D728-Q795 PolarHBondContact OD2-NE2 3.09Å |
| 729 | L | 95.2 | Very high | 94 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.7 | -69.2 | 172.4 | 0 | 0 | 0 | 112.1 | R725 L726 R732 L733 I767 I771 V791 Y792 Q795 | R725-L729 VanDerWaalsContact O-CG 3.3Å; R725-L729 WeakPolarHBondContact O-CG 3.18Å; R725-L729 PolarHBondContact O-N 3.43Å; L726-L729 PolarHBondContact O-N 3.31Å; L729-R732 PolarHBondContact O-N 2.82Å; L729-L733 VanDerWaalsContact O-CB 3.3Å; L729-L733 WeakPolarHBondContact O-CB 3.26Å; L729-L733 VanDerWaalsContact O-CG 3.32Å; L729-L733 WeakPolarHBondContact O-CG 3.25Å; L729-L733 PolarHBondContact O-N 3.47Å; L729-I767 HydrophobicContact CD1-CG2 3.76Å; L729-I771 HydrophobicContact CB-CD1 3.87Å; L729-I771 HydrophobicContact CD1-CD1 3.61Å; L729-I771 HydrophobicContact CG-CD1 4.35Å; L729-V791 HydrophobicContact CD2-CG2 3.76Å; L729-Y792 HydrophobicContact CD2-CD2 4.27Å; L729-Q795 HydrophobicContact CD2-CG 4.49Å |
| 730 | C | 96.8 | Very high | 94 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 178.7 | -75.5 | 0 | 0 | 0 | 0 | 112.3 | L726 R727 L733 S734 L735 M740 | L726-C730 VanDerWaalsContact CD1-SG 3.53Å; L726-C730 WeakPolarHBondContact O-CB 3.38Å; L726-C730 PolarHBondContact O-N 2.83Å; L726-C730 PolarHBondContact O-SG 2.95Å; R727-C730 PolarHBondContact O-N 3.37Å; C730-L733 PolarHBondContact O-N 3.46Å; C730-S734 PolarHBondContact O-N 3Å; C730-S734 VanDerWaalsContact O-N 3.1Å; C730-L735 HydrophobicContact CB-CB 4.18Å; C730-L735 PolarHBondContact O-N 3.01Å; C730-M740 HydrophobicContact CB-CB 4.44Å; C730-M740 HydrophobicContact CB-CG 4.31Å; C730-M740 HydrophobicContact CB-SD 4.15Å |
| 731 | E | 93.8 | Very high | 94 | Very high | 157 Ų | 157 | 44.8 Ų | 44.8 | 73% | 0.734 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.8 | -49.9 | 175.1 | -175.4 | 174 | 179.7 | 0 | 0 | 110.9 | R727 D728 L733 S734 | R727-E731 WeakPolarHBondContact O-CB 3.44Å; R727-E731 PolarHBondContact O-N 3.18Å; D728-E731 PolarHBondContact O-N 3.06Å; E731-L733 VanDerWaalsContact C-N 3.32Å; E731-L733 PolarHBondContact O-N 2.88Å; E731-S734 PolarHBondContact O-N 2.99Å; E731-S734 VanDerWaalsContact O-N 3.08Å |
| 732 | R | 91.1 | Very high | 94.2 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.3 | -29.8 | 178.8 | -65.9 | 172.9 | -167.4 | -75.4 | -8.4 | 113.8 | D728 L729 S734 V791 | D728-R732 VanDerWaalsContact O-CG 3.29Å; D728-R732 WeakPolarHBondContact O-CG 3.46Å; D728-R732 PolarHBondContact O-N 3.4Å; D728-R732 IonicContact OD1-CZ 2.73Å; D728-R732 VanDerWaalsContact OD1-CZ 3.26Å; D728-R732 IonicContact OD1-NE 2.87Å; D728-R732 PolarHBondContact OD1-NE 3.23Å; D728-R732 IonicContact OD1-NH2 3.31Å; D728-R732 PolarHBondContact OD1-NH2 2.96Å; D728-R732 IonicContact OD2-CZ 3.77Å; D728-R732 IonicContact OD2-NE 2.68Å; D728-R732 PolarHBondContact OD2-NE 3.37Å; D728-R732 IonicContact OD2-NH2 3.68Å; L729-R732 PolarHBondContact O-N 2.82Å; R732-S734 VanDerWaalsContact C-N 3.31Å; R732-V791 HydrophobicContact CB-CB 3.77Å; R732-V791 HydrophobicContact CB-CG1 3.68Å |
| 733 | L | 92.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2 | 174.8 | -71.3 | 166.2 | 0 | 0 | 0 | 113.2 | L729 C730 E731 L735 I771 L783 I788 V791 | L729-L733 VanDerWaalsContact O-CB 3.3Å; L729-L733 WeakPolarHBondContact O-CB 3.26Å; L729-L733 VanDerWaalsContact O-CG 3.32Å; L729-L733 WeakPolarHBondContact O-CG 3.25Å; L729-L733 PolarHBondContact O-N 3.47Å; C730-L733 PolarHBondContact O-N 3.46Å; E731-L733 VanDerWaalsContact C-N 3.32Å; E731-L733 PolarHBondContact O-N 2.88Å; L733-L735 VanDerWaalsContact C-N 3.26Å; L733-L735 HydrophobicContact CB-CD1 4.12Å; L733-L735 HydrophobicContact CB-CD2 4Å; L733-L735 HydrophobicContact CB-CG 3.68Å; L733-L735 HydrophobicContact CD1-CD1 4.32Å; L733-L735 WeakPolarHBondContact O-CD2 3.37Å; L733-L735 PolarHBondContact O-N 3.27Å; L733-I771 HydrophobicContact CD1-CG2 4.02Å; L733-L783 HydrophobicContact CD1-CD1 4Å; L733-L783 HydrophobicContact CD2-CD1 4.09Å; L733-L783 HydrophobicContact CD2-CD2 4.25Å; L733-L783 HydrophobicContact CG-CD1 4.46Å; L733-I788 HydrophobicContact CD1-CG1 4.28Å; L733-V791 HydrophobicContact CD1-CG2 3.89Å; L733-V791 HydrophobicContact CD2-CG1 3.97Å; L733-V791 HydrophobicContact CD2-CG2 3.89Å; L733-V791 HydrophobicContact CG-CB 4.49Å; L733-V791 HydrophobicContact CG-CG1 4.15Å; L733-V791 HydrophobicContact CG-CG2 3.64Å |
| 734 | S | 93.3 | Very high | 94.2 | Very high | 112 Ų | 112 | 44.4 Ų | 44.4 | 78% | 0.783 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 38.3 | -176.1 | -62.4 | 0 | 0 | 0 | 0 | 113.8 | C730 E731 R732 | C730-S734 PolarHBondContact O-N 3Å; C730-S734 VanDerWaalsContact O-N 3.1Å; E731-S734 PolarHBondContact O-N 2.99Å; E731-S734 VanDerWaalsContact O-N 3.08Å; R732-S734 VanDerWaalsContact C-N 3.31Å |
| 735 | L | 93.6 | Very high | 94.3 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | trans | -83 | 141.9 | -179.7 | -54.1 | -173.3 | 0 | 0 | 0 | 111.5 | C730 L733 L739 I743 I771 L779 L783 | C730-L735 HydrophobicContact CB-CB 4.18Å; C730-L735 PolarHBondContact O-N 3.01Å; L733-L735 VanDerWaalsContact C-N 3.26Å; L733-L735 HydrophobicContact CB-CD1 4.12Å; L733-L735 HydrophobicContact CB-CD2 4Å; L733-L735 HydrophobicContact CB-CG 3.68Å; L733-L735 HydrophobicContact CD1-CD1 4.32Å; L733-L735 WeakPolarHBondContact O-CD2 3.37Å; L733-L735 PolarHBondContact O-N 3.27Å; L735-L739 HydrophobicContact CB-CD2 4.28Å; L735-L739 HydrophobicContact CD1-CD2 4.41Å; L735-L739 HydrophobicContact CD2-CD2 4Å; L735-L739 HydrophobicContact CG-CD2 4.44Å; L735-I743 HydrophobicContact CD1-CD1 3.87Å; L735-I771 HydrophobicContact CD1-CG2 4.33Å; L735-L779 HydrophobicContact CD2-CD1 4.31Å; L735-L783 HydrophobicContact CD2-CD1 4.32Å | ||
| 736 | T | 93.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 55% | 0.546 | 21% | 0.21 | S | C | . | . | trans | -70.7 | 156.1 | 179.6 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | E738 L739 M740 | T736-E738 PolarHBondContact O-N 3Å; T736-L739 PolarHBondContact O-N 3.12Å; T736-L739 PolarHBondContact OG1-N 2.91Å; T736-M740 PolarHBondContact O-N 2.93Å | ||
| 737 | R | 91.1 | Very high | 94.4 | Very high | 117 Ų | 117 | 41.7 Ų | 41.7 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.2 | -35.9 | 176 | -168.3 | -178.5 | -175.9 | -146.8 | 4.7 | 112.6 | D526 M740 A741 | D526-R737 IonicContact OD1-CZ 3.13Å; D526-R737 IonicContact OD1-NH2 3.38Å; D526-R737 PolarHBondContact OD1-NH2 3.32Å; D526-R737 IonicContact OD2-CZ 2.72Å; D526-R737 IonicContact OD2-NE 2.77Å; D526-R737 IonicContact OD2-NH2 3.91Å; D526-R737 PolarHBondContact OD2-NH2 2.92Å; R737-M740 HydrophobicContact CG-CE 4.18Å; R737-M740 PolarHBondContact O-N 3.39Å; R737-A741 PolarHBondContact O-N 3.2Å |
| 738 | E | 89.9 | Confident | 94.4 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.7 | -169.9 | -163 | 144.6 | 0 | 0 | 111.7 | T736 A741 K742 | T736-E738 PolarHBondContact O-N 3Å; E738-A741 PolarHBondContact O-N 2.87Å; E738-K742 PolarHBondContact O-N 3.35Å; E738-K742 VanDerWaalsContact O-N 3.09Å; E738-K742 WeakPolarHBondContact OE1-CE 3.43Å; E738-K742 IonicContact OE1-NZ 3.82Å; E738-K742 PolarHBondContact OE1-NZ 3.48Å |
| 739 | L | 93.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.3 | -39.4 | 179.3 | -168.3 | 61.7 | 0 | 0 | 0 | 111.2 | L735 T736 A741 K742 I743 I774 V778 L779 | L735-L739 HydrophobicContact CB-CD2 4.28Å; L735-L739 HydrophobicContact CD1-CD2 4.41Å; L735-L739 HydrophobicContact CD2-CD2 4Å; L735-L739 HydrophobicContact CG-CD2 4.44Å; T736-L739 PolarHBondContact O-N 3.12Å; T736-L739 PolarHBondContact OG1-N 2.91Å; L739-A741 VanDerWaalsContact C-N 3.34Å; L739-A741 PolarHBondContact O-N 3.38Å; L739-K742 PolarHBondContact O-N 3.16Å; L739-I743 HydrophobicContact CG-CD1 4.14Å; L739-I743 WeakPolarHBondContact O-CD1 3.42Å; L739-I743 VanDerWaalsContact O-CG1 3.25Å; L739-I743 WeakPolarHBondContact O-CG1 3.27Å; L739-I743 PolarHBondContact O-N 3.4Å; L739-I774 HydrophobicContact CD1-CG2 3.69Å; L739-V778 HydrophobicContact CD1-CB 3.77Å; L739-V778 HydrophobicContact CD1-CG1 3.8Å; L739-V778 HydrophobicContact CD1-CG2 4.09Å; L739-L779 HydrophobicContact CD2-CD1 4.44Å; L739-L779 HydrophobicContact CD2-CD2 3.7Å; L739-L779 HydrophobicContact CD2-CG 4.11Å |
| 740 | M | 95.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 171.8 | -177.9 | 177.2 | 68.4 | 0 | 0 | 112 | L726 R727 C730 T736 R737 I743 W744 M887 | L726-M740 HydrophobicContact CD2-CG 3.97Å; L726-M740 HydrophobicContact CG-CG 4.21Å; R727-M740 HydrophobicContact CG-SD 3.84Å; C730-M740 HydrophobicContact CB-CB 4.44Å; C730-M740 HydrophobicContact CB-CG 4.31Å; C730-M740 HydrophobicContact CB-SD 4.15Å; T736-M740 PolarHBondContact O-N 2.93Å; R737-M740 HydrophobicContact CG-CE 4.18Å; R737-M740 PolarHBondContact O-N 3.39Å; M740-I743 PolarHBondContact O-N 3.16Å; M740-W744 WeakPolarHBondContact O-CB 3.44Å; M740-W744 PolarHBondContact O-N 2.98Å; M740-M887 HydrophobicContact CE-SD 3.87Å; M740-M887 HydrophobicContact CG-SD 3.96Å; M740-M887 HydrophobicContact SD-CE 4.47Å; M740-M887 HydrophobicContact SD-SD 4.13Å |
| 741 | A | 94.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R737 E738 L739 W744 T745 L884 | R737-A741 PolarHBondContact O-N 3.2Å; E738-A741 PolarHBondContact O-N 2.87Å; L739-A741 VanDerWaalsContact C-N 3.34Å; L739-A741 PolarHBondContact O-N 3.38Å; A741-W744 PolarHBondContact O-N 2.93Å; A741-T745 PolarHBondContact O-N 2.8Å; A741-T745 PolarHBondContact O-OG1 2.78Å; A741-L884 HydrophobicContact CB-CD1 4.34Å |
| 742 | K | 94.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 173.8 | -72.1 | 170 | 172.3 | 174.5 | 0 | 112.5 | E738 L739 C746 I774 V846 L884 | E738-K742 PolarHBondContact O-N 3.35Å; E738-K742 VanDerWaalsContact O-N 3.09Å; E738-K742 WeakPolarHBondContact OE1-CE 3.43Å; E738-K742 IonicContact OE1-NZ 3.82Å; E738-K742 PolarHBondContact OE1-NZ 3.48Å; L739-K742 PolarHBondContact O-N 3.16Å; K742-C746 PolarHBondContact O-N 2.7Å; K742-I774 HydrophobicContact CB-CG2 3.95Å; K742-V846 WeakPolarHBondContact CE-O 3.44Å; K742-V846 PolarHBondContact NZ-O 3.21Å; K742-L884 HydrophobicContact CG-CD2 3.85Å |
| 743 | I | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 174.5 | -65.4 | 159.4 | 0 | 0 | 0 | 110.7 | L726 L735 L739 M740 C746 I747 C770 I771 I774 | L726-I743 HydrophobicContact CD1-CB 4.35Å; L726-I743 HydrophobicContact CD1-CG2 3.52Å; L726-I743 HydrophobicContact CD2-CG2 4.27Å; L735-I743 HydrophobicContact CD1-CD1 3.87Å; L739-I743 HydrophobicContact CG-CD1 4.14Å; L739-I743 WeakPolarHBondContact O-CD1 3.42Å; L739-I743 VanDerWaalsContact O-CG1 3.25Å; L739-I743 WeakPolarHBondContact O-CG1 3.27Å; L739-I743 PolarHBondContact O-N 3.4Å; M740-I743 PolarHBondContact O-N 3.16Å; I743-C746 VanDerWaalsContact O-CB 3.32Å; I743-C746 WeakPolarHBondContact O-CB 3.26Å; I743-C746 PolarHBondContact O-N 2.98Å; I743-C746 VanDerWaalsContact O-N 3.14Å; I743-I747 HydrophobicContact CG2-CD1 3.98Å; I743-I747 WeakPolarHBondContact O-CG1 3.45Å; I743-I747 PolarHBondContact O-N 3.46Å; I743-C770 HydrophobicContact CG2-CB 4.08Å; I743-I771 HydrophobicContact CD1-CG1 4.26Å; I743-I771 HydrophobicContact CG2-CG1 3.79Å; I743-I774 HydrophobicContact CG1-CB 3.87Å; I743-I774 HydrophobicContact CG1-CG1 4.29Å; I743-I774 HydrophobicContact CG1-CG2 3.95Å |
| 744 | W | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 176.7 | -178.4 | -112 | 0 | 0 | 0 | 112.1 | I516 Y719 A722 L726 M740 A741 C746 I747 E748 P886 M887 P888 | I516-W744 HydrophobicContact CD1-CZ2 3.64Å; Y719-W744 AromaticContact CD1-CH2 3.96Å; Y719-W744 HydrophobicContact CD1-CH2 3.96Å; Y719-W744 AromaticContact CD1-CZ2 3.93Å; Y719-W744 HydrophobicContact CD1-CZ2 3.93Å; Y719-W744 HydrophobicContact CG-CZ2 4.47Å; Y719-W744 WeakPolarHBondContact O-CH2 3.35Å; A722-W744 HydrophobicContact CB-CH2 4.07Å; A722-W744 HydrophobicContact CB-CZ3 3.79Å; L726-W744 HydrophobicContact CD2-CB 3.95Å; L726-W744 HydrophobicContact CD2-CE3 3.86Å; M740-W744 WeakPolarHBondContact O-CB 3.44Å; M740-W744 PolarHBondContact O-N 2.98Å; A741-W744 PolarHBondContact O-N 2.93Å; W744-C746 PolarHBondContact O-N 3.09Å; W744-I747 HydrophobicContact CE3-CB 4.49Å; W744-I747 HydrophobicContact CE3-CD1 4.41Å; W744-I747 HydrophobicContact CE3-CG2 4.48Å; W744-I747 HydrophobicContact CZ3-CG2 4.28Å; W744-I747 WeakPolarHBondContact O-CA 3.37Å; W744-I747 WeakPolarHBondContact O-CB 3.42Å; W744-I747 PolarHBondContact O-N 2.74Å; W744-E748 PolarHBondContact O-N 3.12Å; W744-P886 PolarHBondContact NE1-O 3.46Å; W744-M887 HydrophobicContact CB-CG 3.84Å; W744-M887 HydrophobicContact CB-SD 4.03Å; W744-M887 HydrophobicContact CD2-CE 4.11Å; W744-M887 HydrophobicContact CD2-CG 3.79Å; W744-M887 HydrophobicContact CD2-SD 4.45Å; W744-M887 HydrophobicContact CE3-CE 4.02Å; W744-M887 HydrophobicContact CG-CE 4.32Å; W744-M887 HydrophobicContact CG-CG 3.33Å; W744-M887 HydrophobicContact CG-SD 4.06Å; W744-P888 HydrophobicContact CZ2-CG 4.3Å |
| 745 | T | 95.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -34.6 | 175.1 | -44.8 | 0 | 0 | 0 | 0 | 111.7 | A741 Q749 F839 S885 | A741-T745 PolarHBondContact O-N 2.8Å; A741-T745 PolarHBondContact O-OG1 2.78Å; T745-Q749 WeakPolarHBondContact O-CB 3.06Å; T745-Q749 PolarHBondContact O-N 2.63Å; T745-Q749 VanDerWaalsContact O-N 3.08Å; T745-F839 HydrophobicContact CG2-CZ 4.18Å; T745-S885 WeakPolarHBondContact CA-OG 3.28Å; T745-S885 WeakPolarHBondContact CB-OG 3.1Å; T745-S885 PolarHBondContact N-OG 3.39Å; T745-S885 PolarHBondContact OG1-N 2.89Å; T745-S885 VanDerWaalsContact OG1-N 3.15Å; T745-S885 PolarHBondContact OG1-OG 3.24Å; T745-S885 VanDerWaalsContact OG1-OG 3.05Å |
| 746 | C | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -33.2 | 173.4 | -166 | 0 | 0 | 0 | 0 | 112.9 | K742 I743 W744 V750 C770 I774 | K742-C746 PolarHBondContact O-N 2.7Å; I743-C746 VanDerWaalsContact O-CB 3.32Å; I743-C746 WeakPolarHBondContact O-CB 3.26Å; I743-C746 PolarHBondContact O-N 2.98Å; I743-C746 VanDerWaalsContact O-N 3.14Å; W744-C746 PolarHBondContact O-N 3.09Å; C746-V750 WeakPolarHBondContact O-CG2 2.91Å; C746-V750 PolarHBondContact O-N 3.15Å; C746-C770 HydrophobicContact CB-CB 4.16Å; C746-I774 HydrophobicContact CB-CD1 4.22Å; C746-I774 HydrophobicContact CB-CG1 4.03Å |
| 747 | I | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.3 | -45.1 | 175.5 | -68.6 | 161.7 | 0 | 0 | 0 | 110.7 | A722 L726 I743 W744 Q749 V750 I751 I767 C770 | A722-I747 HydrophobicContact CB-CG2 4.48Å; L726-I747 HydrophobicContact CD1-CD1 4.17Å; L726-I747 HydrophobicContact CD2-CD1 3.98Å; L726-I747 HydrophobicContact CG-CD1 4.45Å; I743-I747 HydrophobicContact CG2-CD1 3.98Å; I743-I747 WeakPolarHBondContact O-CG1 3.45Å; I743-I747 PolarHBondContact O-N 3.46Å; W744-I747 HydrophobicContact CE3-CB 4.49Å; W744-I747 HydrophobicContact CE3-CD1 4.41Å; W744-I747 HydrophobicContact CE3-CG2 4.48Å; W744-I747 HydrophobicContact CZ3-CG2 4.28Å; W744-I747 WeakPolarHBondContact O-CA 3.37Å; W744-I747 WeakPolarHBondContact O-CB 3.42Å; W744-I747 PolarHBondContact O-N 2.74Å; I747-Q749 PolarHBondContact O-N 2.9Å; I747-V750 PolarHBondContact O-N 3.22Å; I747-I751 HydrophobicContact CG2-CD1 3.74Å; I747-I751 HydrophobicContact CG2-CG1 4.41Å; I747-I751 WeakPolarHBondContact O-CG1 3.42Å; I747-I751 PolarHBondContact O-N 3.44Å; I747-I767 HydrophobicContact CD1-CB 4.38Å; I747-I767 HydrophobicContact CD1-CG1 4.13Å; I747-I767 HydrophobicContact CD1-CG2 4.18Å; I747-C770 HydrophobicContact CD1-CB 4.3Å; I747-C770 HydrophobicContact CG1-CB 3.61Å; I747-C770 VanDerWaalsContact CG1-SG 3.57Å |
| 748 | E | 97.1 | Very high | 96 | Very high | 24 Ų | 24 | 23.8 Ų | 23.8 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 175.8 | -176.5 | 176.6 | -157.2 | 0 | 0 | 111.2 | S515 I516 Y719 W744 V750 I751 V752 S885 | S515-E748 WeakPolarHBondContact CA-OE1 3.43Å; S515-E748 VanDerWaalsContact CB-OE1 3.28Å; S515-E748 WeakPolarHBondContact CB-OE1 3.43Å; I516-E748 WeakPolarHBondContact CG2-OE1 3.38Å; I516-E748 PolarHBondContact N-OE1 3.5Å; Y719-E748 HydrophobicContact CE1-CG 4.3Å; W744-E748 PolarHBondContact O-N 3.12Å; E748-V750 PolarHBondContact O-N 3.35Å; E748-I751 PolarHBondContact O-N 3.04Å; E748-V752 HydrophobicContact CG-CG2 3.62Å; E748-V752 WeakPolarHBondContact O-CB 3.44Å; E748-V752 WeakPolarHBondContact O-CG2 3.37Å; E748-V752 PolarHBondContact O-N 2.81Å; E748-S885 WeakPolarHBondContact OE2-CB 3.47Å |
| 749 | Q | 97 | Very high | 96.3 | Very high | 42 Ų | 42 | 23.1 Ų | 23.1 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -52.9 | -42 | 175.2 | 179.6 | 68 | 23.4 | 0 | 0 | 112 | T745 I747 H753 E754 M836 F839 | T745-Q749 WeakPolarHBondContact O-CB 3.06Å; T745-Q749 PolarHBondContact O-N 2.63Å; T745-Q749 VanDerWaalsContact O-N 3.08Å; I747-Q749 PolarHBondContact O-N 2.9Å; Q749-H753 WeakPolarHBondContact O-CB 3.43Å; Q749-H753 PolarHBondContact O-N 2.81Å; Q749-H753 PolarHBondContact OE1-CD2 2.81Å; Q749-H753 VanDerWaalsContact OE1-CD2 3.32Å; Q749-E754 PolarHBondContact O-N 2.66Å; Q749-M836 HydrophobicContact CB-CE 4.12Å; Q749-M836 HydrophobicContact CG-CE 3.81Å; Q749-M836 HydrophobicContact CG-SD 4.34Å; Q749-F839 HydrophobicContact CB-CD1 4.06Å; Q749-F839 HydrophobicContact CB-CD2 4.4Å; Q749-F839 HydrophobicContact CB-CE1 3.64Å; Q749-F839 HydrophobicContact CB-CE2 4Å; Q749-F839 HydrophobicContact CB-CG 4.42Å; Q749-F839 HydrophobicContact CB-CZ 3.61Å; Q749-F839 VanDerWaalsContact CD-CE2 3.46Å; Q749-F839 HydrophobicContact CG-CD1 3.83Å; Q749-F839 HydrophobicContact CG-CD2 3.63Å; Q749-F839 HydrophobicContact CG-CE1 3.87Å; Q749-F839 HydrophobicContact CG-CE2 3.66Å; Q749-F839 HydrophobicContact CG-CG 3.71Å; Q749-F839 HydrophobicContact CG-CZ 3.78Å |
| 750 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | C746 I747 E748 E754 T755 L757 V766 F832 M836 | C746-V750 WeakPolarHBondContact O-CG2 2.91Å; C746-V750 PolarHBondContact O-N 3.15Å; I747-V750 PolarHBondContact O-N 3.22Å; E748-V750 PolarHBondContact O-N 3.35Å; V750-E754 CarbonylContact O-C 3.43Å; V750-E754 PolarHBondContact O-N 2.88Å; V750-T755 WeakPolarHBondContact O-CA 3.25Å; V750-T755 PolarHBondContact O-N 3.47Å; V750-L757 HydrophobicContact CG1-CB 3.87Å; V750-L757 HydrophobicContact CG1-CD1 3.82Å; V750-L757 HydrophobicContact CG1-CG 4.48Å; V750-L757 HydrophobicContact CG2-CD1 4.06Å; V750-V766 HydrophobicContact CB-CG1 3.81Å; V750-V766 HydrophobicContact CG1-CB 4.39Å; V750-V766 HydrophobicContact CG1-CG1 3.54Å; V750-V766 HydrophobicContact CG1-CG2 3.89Å; V750-V766 HydrophobicContact CG2-CG1 4.09Å; V750-F832 HydrophobicContact CG2-CE2 3.92Å; V750-F832 HydrophobicContact CG2-CZ 4.39Å; V750-M836 HydrophobicContact CG2-CE 3.58Å; V750-M836 HydrophobicContact CG2-CG 4.1Å; V750-M836 HydrophobicContact CG2-SD 3.59Å; V750-M836 VanDerWaalsContact CG2-SD 3.59Å |
| 751 | I | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | -178.8 | -66.2 | 171.4 | 0 | 0 | 0 | 111.8 | A513 F715 Y719 I747 E748 T755 L763 | A513-I751 VanDerWaalsContact CB-O 3.26Å; A513-I751 WeakPolarHBondContact CB-O 3.09Å; F715-I751 HydrophobicContact CD1-CG2 3.77Å; F715-I751 HydrophobicContact CE1-CG2 3.63Å; Y719-I751 HydrophobicContact CD1-CD1 4.01Å; Y719-I751 HydrophobicContact CE1-CB 4.11Å; Y719-I751 HydrophobicContact CE1-CD1 3.82Å; Y719-I751 HydrophobicContact CE1-CG2 3.75Å; I747-I751 HydrophobicContact CG2-CD1 3.74Å; I747-I751 HydrophobicContact CG2-CG1 4.41Å; I747-I751 WeakPolarHBondContact O-CG1 3.42Å; I747-I751 PolarHBondContact O-N 3.44Å; E748-I751 PolarHBondContact O-N 3.04Å; I751-T755 PolarHBondContact O-OG1 3.48Å; I751-L763 HydrophobicContact CD1-CD1 4.32Å |
| 752 | V | 96.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.03 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -88.9 | -44.4 | -173 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | Y719 E748 | Y719-V752 VanDerWaalsContact OH-CG2 3.23Å; Y719-V752 WeakPolarHBondContact OH-CG2 3.17Å; E748-V752 HydrophobicContact CG-CG2 3.62Å; E748-V752 WeakPolarHBondContact O-CB 3.44Å; E748-V752 WeakPolarHBondContact O-CG2 3.37Å; E748-V752 PolarHBondContact O-N 2.81Å |
| 753 | H | 95 | Very high | 96.4 | Very high | 107 Ų | 107 | 23.5 Ų | 23.5 | 50% | 0.495 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -35.6 | -167.9 | -63.9 | -71.7 | 0 | 0 | 0 | 113.6 | Q749 | Q749-H753 WeakPolarHBondContact O-CB 3.43Å; Q749-H753 PolarHBondContact O-N 2.81Å; Q749-H753 PolarHBondContact OE1-CD2 2.81Å; Q749-H753 VanDerWaalsContact OE1-CD2 3.32Å |
| 754 | E | 96.7 | Very high | 96.4 | Very high | 64 Ų | 64 | 23.6 Ų | 23.6 | 30% | 0.299 | 11% | 0.11 | S | C | . | . | trans | -107.8 | 35.8 | 178.5 | -55.2 | -64.1 | 159.1 | 0 | 0 | 111.9 | Q749 V750 E756 L757 M836 | Q749-E754 PolarHBondContact O-N 2.66Å; V750-E754 CarbonylContact O-C 3.43Å; V750-E754 PolarHBondContact O-N 2.88Å; E754-E756 PolarHBondContact O-N 3.32Å; E754-L757 HydrophobicContact CB-CD1 3.81Å; E754-L757 HydrophobicContact CB-CG 4.3Å; E754-L757 VanDerWaalsContact O-CB 3.3Å; E754-L757 WeakPolarHBondContact O-CB 3.46Å; E754-L757 PolarHBondContact O-N 3.49Å; E754-M836 HydrophobicContact CB-SD 4.34Å; E754-M836 HydrophobicContact CG-SD 3.76Å | ||
| 755 | T | 96.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 24.1 Ų | 24.1 | 9% | 0.092 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -53.4 | -28.1 | -171.3 | -34.2 | 0 | 0 | 0 | 0 | 113.5 | W497 W504 L507 V750 I751 L757 L758 | W497-T755 HydrophobicContact CZ3-CG2 4.03Å; W504-T755 HydrophobicContact CZ3-CG2 4.38Å; L507-T755 HydrophobicContact CD1-CG2 3.89Å; V750-T755 WeakPolarHBondContact O-CA 3.25Å; V750-T755 PolarHBondContact O-N 3.47Å; I751-T755 PolarHBondContact O-OG1 3.48Å; T755-L757 PolarHBondContact O-N 2.93Å; T755-L757 VanDerWaalsContact O-N 3.17Å; T755-L758 HydrophobicContact CG2-CD1 4.31Å; T755-L758 WeakPolarHBondContact O-CB 3.49Å; T755-L758 PolarHBondContact O-N 3.28Å |
| 756 | E | 95.1 | Very high | 96.6 | Very high | 97 Ų | 97 | 23.7 Ų | 23.7 | 45% | 0.453 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -57.9 | -21.4 | 173.7 | -69 | -64.9 | 144.5 | 0 | 0 | 113.9 | W504 E754 L758 R759 | W504-E756 WeakPolarHBondContact CZ3-OE1 3.26Å; E754-E756 PolarHBondContact O-N 3.32Å; E756-L758 PolarHBondContact O-N 2.9Å; E756-R759 VanDerWaalsContact CD-NH2 3.3Å; E756-R759 VanDerWaalsContact O-CB 3.31Å; E756-R759 WeakPolarHBondContact O-CB 3.35Å; E756-R759 PolarHBondContact O-N 3.32Å; E756-R759 VanDerWaalsContact O-N 3.12Å; E756-R759 IonicContact OE1-CZ 3.17Å; E756-R759 IonicContact OE1-NE 2.73Å; E756-R759 IonicContact OE1-NH2 3.45Å; E756-R759 PolarHBondContact OE1-NH2 3.24Å; E756-R759 IonicContact OE2-CZ 2.7Å; E756-R759 VanDerWaalsContact OE2-CZ 3.25Å; E756-R759 IonicContact OE2-NE 3.37Å; E756-R759 PolarHBondContact OE2-NE 2.99Å; E756-R759 IonicContact OE2-NH2 3.47Å; E756-R759 PolarHBondContact OE2-NH2 3.09Å |
| 757 | L | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -61.8 | -26.8 | 170.4 | -78.4 | 172.1 | 0 | 0 | 0 | 112.9 | V750 E754 T755 R761 F827 I831 F832 M836 | V750-L757 HydrophobicContact CG1-CB 3.87Å; V750-L757 HydrophobicContact CG1-CD1 3.82Å; V750-L757 HydrophobicContact CG1-CG 4.48Å; V750-L757 HydrophobicContact CG2-CD1 4.06Å; E754-L757 HydrophobicContact CB-CD1 3.81Å; E754-L757 HydrophobicContact CB-CG 4.3Å; E754-L757 VanDerWaalsContact O-CB 3.3Å; E754-L757 WeakPolarHBondContact O-CB 3.46Å; E754-L757 PolarHBondContact O-N 3.49Å; T755-L757 PolarHBondContact O-N 2.93Å; T755-L757 VanDerWaalsContact O-N 3.17Å; L757-R761 WeakPolarHBondContact O-CD 3.34Å; L757-R761 PolarHBondContact O-NH1 3.35Å; L757-F827 HydrophobicContact CD2-CE2 4.36Å; L757-F827 HydrophobicContact CD2-CZ 4.19Å; L757-I831 HydrophobicContact CD2-CG2 3.9Å; L757-F832 HydrophobicContact CD1-CD2 3.95Å; L757-F832 HydrophobicContact CD1-CE2 4.31Å; L757-F832 HydrophobicContact CD2-CD2 4.49Å; L757-M836 HydrophobicContact CD1-CG 4.03Å; L757-M836 HydrophobicContact CD1-SD 4.46Å |
| 758 | L | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -79 | -15.8 | 176.1 | -64.2 | 167.2 | 0 | 0 | 0 | 113 | W497 T755 E756 D760 R761 L763 V766 | W497-L758 HydrophobicContact CB-CB 4.12Å; W497-L758 VanDerWaalsContact CB-O 3.24Å; W497-L758 WeakPolarHBondContact CB-O 3.37Å; W497-L758 HydrophobicContact CD2-CB 3.89Å; W497-L758 HydrophobicContact CD2-CD1 3.99Å; W497-L758 HydrophobicContact CD2-CG 4.49Å; W497-L758 HydrophobicContact CE3-CB 4.07Å; W497-L758 HydrophobicContact CE3-CD1 4.04Å; W497-L758 HydrophobicContact CG-CB 3.9Å; W497-L758 HydrophobicContact CH2-CD1 4Å; W497-L758 HydrophobicContact CZ2-CD1 3.97Å; W497-L758 HydrophobicContact CZ3-CD1 4.04Å; T755-L758 HydrophobicContact CG2-CD1 4.31Å; T755-L758 WeakPolarHBondContact O-CB 3.49Å; T755-L758 PolarHBondContact O-N 3.28Å; E756-L758 PolarHBondContact O-N 2.9Å; L758-D760 PolarHBondContact O-N 3.07Å; L758-D760 VanDerWaalsContact O-N 3.17Å; L758-R761 PolarHBondContact O-N 3.05Å; L758-L763 HydrophobicContact CD2-CB 4.46Å; L758-L763 HydrophobicContact CD2-CD1 4.02Å; L758-V766 HydrophobicContact CD2-CB 4.44Å; L758-V766 HydrophobicContact CD2-CG2 3.72Å; L758-V766 HydrophobicContact CG-CG2 4.48Å |
| 759 | R | 95.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 22.6 Ų | 22.6 | 25% | 0.249 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 118.9 | -173.5 | -172.1 | -175.5 | -70.7 | -93.8 | -1.4 | 112.4 | W497 T499 W504 E756 R761 | W497-R759 WeakPolarHBondContact O-CA 3.03Å; T499-R759 VanDerWaalsContact OG1-CD 3.3Å; T499-R759 WeakPolarHBondContact OG1-CD 3.47Å; T499-R759 VanDerWaalsContact OG1-CG 3.28Å; T499-R759 WeakPolarHBondContact OG1-CG 3.47Å; W504-R759 HydrophobicContact CH2-CB 3.87Å; W504-R759 HydrophobicContact CH2-CG 4.47Å; W504-R759 HydrophobicContact CZ2-CB 3.76Å; W504-R759 HydrophobicContact CZ2-CG 3.97Å; E756-R759 VanDerWaalsContact CD-NH2 3.3Å; E756-R759 VanDerWaalsContact O-CB 3.31Å; E756-R759 WeakPolarHBondContact O-CB 3.35Å; E756-R759 PolarHBondContact O-N 3.32Å; E756-R759 VanDerWaalsContact O-N 3.12Å; E756-R759 IonicContact OE1-CZ 3.17Å; E756-R759 IonicContact OE1-NE 2.73Å; E756-R759 IonicContact OE1-NH2 3.45Å; E756-R759 PolarHBondContact OE1-NH2 3.24Å; E756-R759 IonicContact OE2-CZ 2.7Å; E756-R759 VanDerWaalsContact OE2-CZ 3.25Å; E756-R759 IonicContact OE2-NE 3.37Å; E756-R759 PolarHBondContact OE2-NE 2.99Å; E756-R759 IonicContact OE2-NH2 3.47Å; E756-R759 PolarHBondContact OE2-NH2 3.09Å; R759-R761 PolarHBondContact O-N 3.04Å |
| 760 | D | 94.3 | Very high | 96.8 | Very high | 27 Ų | 27 | 20.6 Ų | 20.6 | 14% | 0.144 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 27.7 | -173.5 | -61.8 | -57.4 | 0 | 0 | 0 | 114.2 | W497 R498 T499 L758 L807 R810 | W497-D760 PolarHBondContact O-N 3.47Å; R498-D760 WeakPolarHBondContact CA-OD1 3.2Å; T499-D760 VanDerWaalsContact CB-OD2 3.23Å; T499-D760 WeakPolarHBondContact CB-OD2 3.31Å; T499-D760 PolarHBondContact N-OD1 2.75Å; T499-D760 PolarHBondContact OG1-OD2 3.27Å; L758-D760 PolarHBondContact O-N 3.07Å; L758-D760 VanDerWaalsContact O-N 3.17Å; D760-L807 HydrophobicContact CB-CD2 3.52Å; D760-R810 VanDerWaalsContact CG-NH2 3.28Å; D760-R810 IonicContact OD1-NH2 3.73Å; D760-R810 PolarHBondContact OD1-NH2 3.47Å; D760-R810 IonicContact OD2-CZ 2.68Å; D760-R810 IonicContact OD2-NE 3.79Å; D760-R810 IonicContact OD2-NH1 3.71Å; D760-R810 PolarHBondContact OD2-NH1 2.98Å; D760-R810 IonicContact OD2-NH2 3.36Å; D760-R810 PolarHBondContact OD2-NH2 3.42Å; D760-R810 VanDerWaalsContact OD2-NH2 3.08Å |
| 761 | R | 95.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 20.6 Ų | 20.6 | 11% | 0.113 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -124.8 | 169.6 | 179.8 | -70.4 | -167.2 | -155.7 | 92.8 | 3.7 | 110.7 | L757 L758 R759 Q765 L807 F827 | L757-R761 WeakPolarHBondContact O-CD 3.34Å; L757-R761 PolarHBondContact O-NH1 3.35Å; L758-R761 PolarHBondContact O-N 3.05Å; R759-R761 PolarHBondContact O-N 3.04Å; R761-Q765 VanDerWaalsContact CB-OE1 3.24Å; R761-L807 HydrophobicContact CG-CB 4.3Å; R761-L807 PolarHBondContact NE-O 2.85Å; R761-L807 PolarHBondContact NH2-O 2.96Å; R761-F827 VanDerWaalsContact NE-CE2 3.26Å |
| 762 | C | 94.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | trans | -102.8 | 137 | 179.5 | -179 | 0 | 0 | 0 | 0 | 109.9 | D493 D764 Q765 I802 | D493-C762 CarbonylContact O-C 3Å; D493-C762 WeakPolarHBondContact O-CA 3.26Å; C762-D764 PolarHBondContact O-N 2.77Å; C762-D764 VanDerWaalsContact O-N 3.12Å; C762-Q765 HydrophobicContact CB-CG 4.22Å; C762-Q765 VanDerWaalsContact O-CB 3.24Å; C762-Q765 WeakPolarHBondContact O-CB 3.5Å; C762-Q765 PolarHBondContact O-N 3.11Å; C762-I802 HydrophobicContact CB-CG2 4.18Å | ||
| 763 | L | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -49.8 | -37.2 | 176.5 | -179.7 | 60.7 | 0 | 0 | 0 | 113 | D493 T718 A722 I751 L758 Q765 V766 I767 | D493-L763 HydrophobicContact CB-CB 3.97Å; D493-L763 PolarHBondContact O-N 3.02Å; T718-L763 HydrophobicContact CG2-CD2 4.18Å; A722-L763 HydrophobicContact CB-CD2 4.19Å; I751-L763 HydrophobicContact CD1-CD1 4.32Å; L758-L763 HydrophobicContact CD2-CB 4.46Å; L758-L763 HydrophobicContact CD2-CD1 4.02Å; L763-Q765 PolarHBondContact O-N 3.24Å; L763-V766 WeakPolarHBondContact O-CB 3.46Å; L763-V766 PolarHBondContact O-N 3.12Å; L763-I767 HydrophobicContact CG-CD1 4.19Å; L763-I767 WeakPolarHBondContact O-CG1 3.22Å; L763-I767 PolarHBondContact O-N 2.84Å |
| 764 | D | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.011 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.6 | -27.6 | 178.6 | -68.6 | 4.9 | 0 | 0 | 0 | 112.9 | R725 C762 I767 M768 Y792 Q797 I802 | R725-D764 WeakPolarHBondContact CD-OD1 3.38Å; R725-D764 IonicContact CZ-OD1 3.26Å; R725-D764 IonicContact NE-OD1 3.3Å; R725-D764 IonicContact NH1-OD1 2.98Å; R725-D764 PolarHBondContact NH1-OD1 3.05Å; R725-D764 IonicContact NH1-OD2 3.34Å; C762-D764 PolarHBondContact O-N 2.77Å; C762-D764 VanDerWaalsContact O-N 3.12Å; D764-I767 PolarHBondContact O-N 2.8Å; D764-M768 HydrophobicContact CB-CE 4.25Å; D764-M768 WeakPolarHBondContact O-CB 3.49Å; D764-M768 VanDerWaalsContact O-CE 3.25Å; D764-M768 WeakPolarHBondContact O-CE 3.46Å; D764-M768 WeakPolarHBondContact O-CG 3.37Å; D764-M768 PolarHBondContact O-N 3.41Å; D764-Y792 HydrophobicContact CB-CE2 3.85Å; D764-Y792 WeakPolarHBondContact OD2-CE2 3.39Å; D764-Y792 VanDerWaalsContact OD2-CZ 3.32Å; D764-Y792 PolarHBondContact OD2-OH 3.39Å; D764-Q797 PolarHBondContact OD2-NE2 2.82Å; D764-I802 HydrophobicContact CB-CG2 4.16Å |
| 765 | Q | 97.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 13.8 Ų | 13.8 | 5% | 0.047 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.5 | -63.2 | 160.3 | -8.8 | 0 | 0 | 110.5 | R761 C762 L763 C769 I802 V806 L824 F827 | R761-Q765 VanDerWaalsContact CB-OE1 3.24Å; C762-Q765 HydrophobicContact CB-CG 4.22Å; C762-Q765 VanDerWaalsContact O-CB 3.24Å; C762-Q765 WeakPolarHBondContact O-CB 3.5Å; C762-Q765 PolarHBondContact O-N 3.11Å; L763-Q765 PolarHBondContact O-N 3.24Å; Q765-C769 VanDerWaalsContact O-CB 3.27Å; Q765-C769 WeakPolarHBondContact O-CB 3.33Å; Q765-C769 PolarHBondContact O-N 3.3Å; Q765-C769 PolarHBondContact O-SG 3.27Å; Q765-I802 HydrophobicContact CG-CG2 3.98Å; Q765-I802 VanDerWaalsContact CG-O 3.28Å; Q765-I802 WeakPolarHBondContact CG-O 3.23Å; Q765-I802 PolarHBondContact NE2-O 3.09Å; Q765-V806 HydrophobicContact CG-CG1 4.43Å; Q765-V806 HydrophobicContact CG-CG2 4.21Å; Q765-L824 HydrophobicContact CB-CD1 3.94Å; Q765-L824 HydrophobicContact CG-CD1 4.15Å; Q765-F827 HydrophobicContact CB-CE1 4.39Å |
| 766 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | 173.3 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | V750 L758 L763 M768 C769 C770 F832 | V750-V766 HydrophobicContact CB-CG1 3.81Å; V750-V766 HydrophobicContact CG1-CB 4.39Å; V750-V766 HydrophobicContact CG1-CG1 3.54Å; V750-V766 HydrophobicContact CG1-CG2 3.89Å; V750-V766 HydrophobicContact CG2-CG1 4.09Å; L758-V766 HydrophobicContact CD2-CB 4.44Å; L758-V766 HydrophobicContact CD2-CG2 3.72Å; L758-V766 HydrophobicContact CG-CG2 4.48Å; L763-V766 WeakPolarHBondContact O-CB 3.46Å; L763-V766 PolarHBondContact O-N 3.12Å; V766-M768 PolarHBondContact O-N 3.23Å; V766-C769 PolarHBondContact O-N 3.05Å; V766-C769 VanDerWaalsContact O-N 3.13Å; V766-C770 PolarHBondContact O-N 3.48Å; V766-C770 PolarHBondContact O-SG 3.21Å; V766-F832 HydrophobicContact CG1-CE2 4.46Å |
| 767 | I | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.8 | -50.7 | 179.9 | -62.2 | 172.1 | 0 | 0 | 0 | 110.9 | A722 R725 L726 L729 I747 L763 D764 C769 C770 I771 | A722-I767 HydrophobicContact CB-CD1 4.29Å; R725-I767 HydrophobicContact CB-CD1 3.97Å; L726-I767 HydrophobicContact CB-CG2 4.48Å; L726-I767 HydrophobicContact CD1-CG2 4.35Å; L729-I767 HydrophobicContact CD1-CG2 3.76Å; I747-I767 HydrophobicContact CD1-CB 4.38Å; I747-I767 HydrophobicContact CD1-CG1 4.13Å; I747-I767 HydrophobicContact CD1-CG2 4.18Å; L763-I767 HydrophobicContact CG-CD1 4.19Å; L763-I767 WeakPolarHBondContact O-CG1 3.22Å; L763-I767 PolarHBondContact O-N 2.84Å; D764-I767 PolarHBondContact O-N 2.8Å; I767-C769 VanDerWaalsContact C-N 3.35Å; I767-C769 PolarHBondContact O-N 3.46Å; I767-C770 PolarHBondContact O-N 2.98Å; I767-I771 HydrophobicContact CG2-CD1 4.07Å; I767-I771 WeakPolarHBondContact O-CG1 3.34Å; I767-I771 PolarHBondContact O-N 3.31Å |
| 768 | M | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 178.5 | -70.3 | -175.6 | -83 | 0 | 0 | 113 | D764 V766 Y772 I788 V789 Y792 I802 L824 | D764-M768 HydrophobicContact CB-CE 4.25Å; D764-M768 WeakPolarHBondContact O-CB 3.49Å; D764-M768 VanDerWaalsContact O-CE 3.25Å; D764-M768 WeakPolarHBondContact O-CE 3.46Å; D764-M768 WeakPolarHBondContact O-CG 3.37Å; D764-M768 PolarHBondContact O-N 3.41Å; V766-M768 PolarHBondContact O-N 3.23Å; M768-Y772 WeakPolarHBondContact O-CB 3.48Å; M768-Y772 PolarHBondContact O-N 3.09Å; M768-I788 HydrophobicContact CB-CG2 3.94Å; M768-I788 HydrophobicContact CG-CG2 3.74Å; M768-I788 HydrophobicContact SD-CG2 4.29Å; M768-V789 HydrophobicContact SD-CG2 4.26Å; M768-Y792 HydrophobicContact CE-CD1 4.01Å; M768-Y792 HydrophobicContact CE-CD2 4.35Å; M768-Y792 HydrophobicContact CE-CE1 3.94Å; M768-Y792 HydrophobicContact CE-CE2 4.29Å; M768-Y792 HydrophobicContact CE-CG 4.21Å; M768-Y792 HydrophobicContact SD-CD1 3.83Å; M768-Y792 HydrophobicContact SD-CD2 4.1Å; M768-Y792 HydrophobicContact SD-CE1 4.39Å; M768-Y792 HydrophobicContact SD-CG 3.68Å; M768-I802 HydrophobicContact CE-CG2 4.28Å; M768-L824 HydrophobicContact CB-CD2 3.76Å; M768-L824 HydrophobicContact CE-CD2 3.99Å; M768-L824 HydrophobicContact CG-CD2 4.41Å; M768-L824 HydrophobicContact SD-CD2 3.78Å |
| 769 | C | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.2 | -37.1 | 175.4 | -76 | 0 | 0 | 0 | 0 | 113 | Q765 V766 I767 Y772 G773 Y828 F832 | Q765-C769 VanDerWaalsContact O-CB 3.27Å; Q765-C769 WeakPolarHBondContact O-CB 3.33Å; Q765-C769 PolarHBondContact O-N 3.3Å; Q765-C769 PolarHBondContact O-SG 3.27Å; V766-C769 PolarHBondContact O-N 3.05Å; V766-C769 VanDerWaalsContact O-N 3.13Å; I767-C769 VanDerWaalsContact C-N 3.35Å; I767-C769 PolarHBondContact O-N 3.46Å; C769-Y772 PolarHBondContact O-N 2.88Å; C769-G773 PolarHBondContact O-N 3.42Å; C769-Y828 HydrophobicContact CB-CD2 3.96Å; C769-F832 HydrophobicContact CB-CD1 3.76Å; C769-F832 HydrophobicContact CB-CD2 3.77Å; C769-F832 HydrophobicContact CB-CE1 3.71Å; C769-F832 HydrophobicContact CB-CE2 3.72Å; C769-F832 HydrophobicContact CB-CG 3.79Å; C769-F832 HydrophobicContact CB-CZ 3.7Å |
| 770 | C | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 173.1 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | I743 C746 I747 V766 I767 G773 I774 | I743-C770 HydrophobicContact CG2-CB 4.08Å; C746-C770 HydrophobicContact CB-CB 4.16Å; I747-C770 HydrophobicContact CD1-CB 4.3Å; I747-C770 HydrophobicContact CG1-CB 3.61Å; I747-C770 VanDerWaalsContact CG1-SG 3.57Å; V766-C770 PolarHBondContact O-N 3.48Å; V766-C770 PolarHBondContact O-SG 3.21Å; I767-C770 PolarHBondContact O-N 2.98Å; C770-G773 PolarHBondContact O-N 2.81Å; C770-I774 WeakPolarHBondContact O-CG1 3.46Å; C770-I774 PolarHBondContact O-N 2.97Å; C770-I774 VanDerWaalsContact O-N 3.08Å |
| 771 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.5 | -55.9 | 172.7 | -65.9 | 165 | 0 | 0 | 0 | 109.5 | L726 L729 L733 L735 I743 I767 G773 C775 L783 I788 | L726-I771 HydrophobicContact CD1-CD1 4.11Å; L726-I771 HydrophobicContact CD1-CG1 4.01Å; L729-I771 HydrophobicContact CB-CD1 3.87Å; L729-I771 HydrophobicContact CD1-CD1 3.61Å; L729-I771 HydrophobicContact CG-CD1 4.35Å; L733-I771 HydrophobicContact CD1-CG2 4.02Å; L735-I771 HydrophobicContact CD1-CG2 4.33Å; I743-I771 HydrophobicContact CD1-CG1 4.26Å; I743-I771 HydrophobicContact CG2-CG1 3.79Å; I767-I771 HydrophobicContact CG2-CD1 4.07Å; I767-I771 WeakPolarHBondContact O-CG1 3.34Å; I767-I771 PolarHBondContact O-N 3.31Å; I771-G773 PolarHBondContact O-N 3.39Å; I771-C775 WeakPolarHBondContact O-CB 3.1Å; I771-C775 PolarHBondContact O-N 3.01Å; I771-C775 PolarHBondContact O-SG 3.2Å; I771-L783 HydrophobicContact CG2-CD1 4.18Å; I771-I788 HydrophobicContact CB-CD1 4.34Å; I771-I788 HydrophobicContact CG2-CD1 3.79Å; I771-I788 HydrophobicContact CG2-CG1 4.02Å |
| 772 | Y | 98.2 | Very high | 95.4 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | -179.1 | -178.6 | -103.1 | 0 | 0 | 0 | 112.3 | M768 C769 K776 L783 F785 I788 Y828 | M768-Y772 WeakPolarHBondContact O-CB 3.48Å; M768-Y772 PolarHBondContact O-N 3.09Å; C769-Y772 PolarHBondContact O-N 2.88Å; Y772-K776 HydrophobicContact CE1-CD 3.81Å; Y772-K776 WeakPolarHBondContact O-CB 3.34Å; Y772-K776 PolarHBondContact O-N 3.24Å; Y772-K776 PolarHBondContact OH-NZ 3.43Å; Y772-L783 WeakPolarHBondContact CD2-O 3.34Å; Y772-L783 WeakPolarHBondContact CE2-O 3.38Å; Y772-F785 HydrophobicContact CD1-CD2 4.26Å; Y772-F785 HydrophobicContact CD1-CE1 4.25Å; Y772-F785 AromaticContact CD1-CE2 3.4Å; Y772-F785 HydrophobicContact CD1-CE2 3.4Å; Y772-F785 VanDerWaalsContact CD1-CE2 3.4Å; Y772-F785 AromaticContact CD1-CZ 3.39Å; Y772-F785 HydrophobicContact CD1-CZ 3.39Å; Y772-F785 HydrophobicContact CD2-CD1 4.48Å; Y772-F785 HydrophobicContact CD2-CD2 4.09Å; Y772-F785 HydrophobicContact CD2-CE1 4.42Å; Y772-F785 HydrophobicContact CD2-CE2 4.02Å; Y772-F785 HydrophobicContact CD2-CG 4.31Å; Y772-F785 HydrophobicContact CD2-CZ 4.18Å; Y772-F785 HydrophobicContact CE1-CD2 4.3Å; Y772-F785 AromaticContact CE1-CE2 3.6Å; Y772-F785 HydrophobicContact CE1-CE2 3.6Å; Y772-F785 HydrophobicContact CE1-CZ 4.09Å; Y772-F785 HydrophobicContact CE2-CD2 4.13Å; Y772-F785 HydrophobicContact CE2-CE2 4.2Å; Y772-F785 HydrophobicContact CG-CD1 4.34Å; Y772-F785 HydrophobicContact CG-CD2 4.16Å; Y772-F785 AromaticContact CG-CE1 3.84Å; Y772-F785 HydrophobicContact CG-CE1 3.84Å; Y772-F785 AromaticContact CG-CE2 3.64Å; Y772-F785 HydrophobicContact CG-CE2 3.64Å; Y772-F785 HydrophobicContact CG-CG 4.48Å; Y772-F785 AromaticContact CG-CZ 3.45Å; Y772-F785 HydrophobicContact CG-CZ 3.45Å; Y772-F785 VanDerWaalsContact CG-CZ 3.45Å; Y772-I788 HydrophobicContact CD2-CD1 4.14Å; Y772-I788 HydrophobicContact CG-CD1 4.39Å; Y772-Y828 AromaticContact CD1-CD1 3.91Å; Y772-Y828 HydrophobicContact CD1-CD1 3.91Å; Y772-Y828 AromaticContact CD1-CD2 3.96Å; Y772-Y828 HydrophobicContact CD1-CD2 3.96Å; Y772-Y828 AromaticContact CD1-CE1 3.63Å; Y772-Y828 HydrophobicContact CD1-CE1 3.63Å; Y772-Y828 AromaticContact CD1-CE2 3.65Å; Y772-Y828 HydrophobicContact CD1-CE2 3.65Å; Y772-Y828 HydrophobicContact CD1-CG 4.07Å; Y772-Y828 AromaticContact CD1-CZ 3.48Å; Y772-Y828 VanDerWaalsContact CD1-CZ 3.48Å; Y772-Y828 AromaticContact CE1-CD1 3.76Å; Y772-Y828 HydrophobicContact CE1-CD1 3.76Å; Y772-Y828 AromaticContact CE1-CE1 3.41Å; Y772-Y828 HydrophobicContact CE1-CE1 3.41Å; Y772-Y828 VanDerWaalsContact CE1-CE1 3.41Å; Y772-Y828 HydrophobicContact CE1-CE2 4.31Å; Y772-Y828 HydrophobicContact CE1-CG 4.37Å; Y772-Y828 AromaticContact CE1-CZ 3.7Å |
| 773 | G | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C769 C770 I771 Y828 I840 | C769-G773 PolarHBondContact O-N 3.42Å; C770-G773 PolarHBondContact O-N 2.81Å; I771-G773 PolarHBondContact O-N 3.39Å; G773-Y828 WeakPolarHBondContact CA-OH 3.29Å; G773-I840 WeakPolarHBondContact O-CG2 3.16Å |
| 774 | I | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.3 | -48 | 179.7 | -62.7 | -69.1 | 0 | 0 | 0 | 110.9 | L739 K742 I743 C746 C770 K776 L777 V778 I840 A843 | L739-I774 HydrophobicContact CD1-CG2 3.69Å; K742-I774 HydrophobicContact CB-CG2 3.95Å; I743-I774 HydrophobicContact CG1-CB 3.87Å; I743-I774 HydrophobicContact CG1-CG1 4.29Å; I743-I774 HydrophobicContact CG1-CG2 3.95Å; C746-I774 HydrophobicContact CB-CD1 4.22Å; C746-I774 HydrophobicContact CB-CG1 4.03Å; C770-I774 WeakPolarHBondContact O-CG1 3.46Å; C770-I774 PolarHBondContact O-N 2.97Å; C770-I774 VanDerWaalsContact O-N 3.08Å; I774-K776 PolarHBondContact O-N 2.76Å; I774-L777 PolarHBondContact O-N 3.28Å; I774-L777 VanDerWaalsContact O-N 3.07Å; I774-V778 HydrophobicContact CG2-CG2 4.16Å; I774-V778 WeakPolarHBondContact O-CG2 3.45Å; I774-V778 PolarHBondContact O-N 3.24Å; I774-V778 VanDerWaalsContact O-N 3.08Å; I774-I840 HydrophobicContact CD1-CG2 4.23Å; I774-A843 HydrophobicContact CD1-CB 3.92Å |
| 775 | C | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -33.3 | -179.9 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | I771 L777 L779 L783 | I771-C775 WeakPolarHBondContact O-CB 3.1Å; I771-C775 PolarHBondContact O-N 3.01Å; I771-C775 PolarHBondContact O-SG 3.2Å; C775-L777 VanDerWaalsContact C-N 3.25Å; C775-L777 PolarHBondContact O-N 3.42Å; C775-L779 HydrophobicContact CB-CD1 3.81Å; C775-L779 HydrophobicContact CB-CG 4.23Å; C775-L779 VanDerWaalsContact O-CB 3.3Å; C775-L779 WeakPolarHBondContact O-CB 3.14Å; C775-L779 PolarHBondContact O-N 3.23Å; C775-L783 HydrophobicContact CB-CB 4.39Å; C775-L783 HydrophobicContact CB-CD1 4Å; C775-L783 HydrophobicContact CB-CG 4.22Å |
| 776 | K | 94.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 50.6 Ų | 50.6 | 39% | 0.387 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -25 | 176.6 | -177.8 | 173.6 | -172.5 | 169.2 | 0 | 114 | Y772 I774 P782 | Y772-K776 HydrophobicContact CE1-CD 3.81Å; Y772-K776 WeakPolarHBondContact O-CB 3.34Å; Y772-K776 PolarHBondContact O-N 3.24Å; Y772-K776 PolarHBondContact OH-NZ 3.43Å; I774-K776 PolarHBondContact O-N 2.76Å; K776-P782 HydrophobicContact CG-CB 4.39Å |
| 777 | L | 93.3 | Very high | 94.3 | Very high | 99 Ų | 99 | 53 Ų | 53 | 52% | 0.518 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -97.2 | -30.9 | 178 | -64.1 | -172.3 | 0 | 0 | 0 | 113.4 | I774 C775 I840 K841 A844 | I774-L777 PolarHBondContact O-N 3.28Å; I774-L777 VanDerWaalsContact O-N 3.07Å; C775-L777 VanDerWaalsContact C-N 3.25Å; C775-L777 PolarHBondContact O-N 3.42Å; L777-I840 HydrophobicContact CD1-CG2 3.75Å; L777-I840 HydrophobicContact CG-CG2 4.48Å; L777-K841 HydrophobicContact CD1-CG 4.39Å; L777-A844 HydrophobicContact CB-CB 3.88Å; L777-A844 HydrophobicContact CD1-CB 3.9Å |
| 778 | V | 92.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 53 Ų | 53 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -96.9 | -31.7 | -172.3 | -175.9 | 0 | 0 | 0 | 0 | 113.1 | L739 I774 A844 | L739-V778 HydrophobicContact CD1-CB 3.77Å; L739-V778 HydrophobicContact CD1-CG1 3.8Å; L739-V778 HydrophobicContact CD1-CG2 4.09Å; I774-V778 HydrophobicContact CG2-CG2 4.16Å; I774-V778 WeakPolarHBondContact O-CG2 3.45Å; I774-V778 PolarHBondContact O-N 3.24Å; I774-V778 VanDerWaalsContact O-N 3.08Å; V778-A844 HydrophobicContact CG2-CB 3.79Å |
| 779 | L | 91.2 | Very high | 93.6 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | trans | -86.3 | 134.8 | -178.5 | -60.3 | 179.8 | 0 | 0 | 0 | 111.8 | L735 L739 C775 R781 L783 | L735-L779 HydrophobicContact CD2-CD1 4.31Å; L739-L779 HydrophobicContact CD2-CD1 4.44Å; L739-L779 HydrophobicContact CD2-CD2 3.7Å; L739-L779 HydrophobicContact CD2-CG 4.11Å; C775-L779 HydrophobicContact CB-CD1 3.81Å; C775-L779 HydrophobicContact CB-CG 4.23Å; C775-L779 VanDerWaalsContact O-CB 3.3Å; C775-L779 WeakPolarHBondContact O-CB 3.14Å; C775-L779 PolarHBondContact O-N 3.23Å; L779-R781 VanDerWaalsContact C-N 3.3Å; L779-R781 WeakPolarHBondContact CB-O 3.35Å; L779-R781 PolarHBondContact O-N 3.41Å; L779-L783 HydrophobicContact CD1-CD1 4.45Å; L779-L783 HydrophobicContact CD1-CG 3.98Å | ||
| 780 | Y | 87.1 | Confident | 93 | Very high | 239 Ų | 239 | 59.8 Ų | 59.8 | 94% | 0.937 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -58.8 | -40.4 | 172.8 | -179.6 | -96.5 | 0 | 0 | 0 | 112.6 | P782 | Y780-P782 WeakPolarHBondContact O-CD 3.49Š|
| 781 | R | 89.7 | Confident | 92.1 | Very high | 203 Ų | 203 | 60.8 Ų | 60.8 | 77% | 0.766 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -101.8 | 103.6 | 166.1 | -179.5 | -179 | 170.2 | 96.3 | 0.6 | 107.8 | L779 | L779-R781 VanDerWaalsContact C-N 3.3Å; L779-R781 WeakPolarHBondContact CB-O 3.35Å; L779-R781 PolarHBondContact O-N 3.41Å |
| 782 | P | 89.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 138 | -178.6 | 28 | -35.2 | 0 | 0 | 0 | 110.7 | K776 Y780 | K776-P782 HydrophobicContact CG-CB 4.39Å; Y780-P782 WeakPolarHBondContact O-CD 3.49Å |
| 783 | L | 92.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.141 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 145.7 | 170.4 | -67 | 179.5 | 0 | 0 | 0 | 110.6 | L733 L735 I771 Y772 C775 L779 D787 I788 | L733-L783 HydrophobicContact CD1-CD1 4Å; L733-L783 HydrophobicContact CD2-CD1 4.09Å; L733-L783 HydrophobicContact CD2-CD2 4.25Å; L733-L783 HydrophobicContact CG-CD1 4.46Å; L735-L783 HydrophobicContact CD2-CD1 4.32Å; I771-L783 HydrophobicContact CG2-CD1 4.18Å; Y772-L783 WeakPolarHBondContact CD2-O 3.34Å; Y772-L783 WeakPolarHBondContact CE2-O 3.38Å; C775-L783 HydrophobicContact CB-CB 4.39Å; C775-L783 HydrophobicContact CB-CD1 4Å; C775-L783 HydrophobicContact CB-CG 4.22Å; L779-L783 HydrophobicContact CD1-CD1 4.45Å; L779-L783 HydrophobicContact CD1-CG 3.98Å; L783-D787 HydrophobicContact CD2-CB 4.21Å; L783-I788 HydrophobicContact CB-CD1 4.32Å; L783-I788 HydrophobicContact CB-CG1 4.34Å; L783-I788 HydrophobicContact CD1-CG1 4.16Å |
| 784 | T | 93.7 | Very high | 90 | Very high | 66 Ų | 66 | 71 Ų | 71 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 163.1 | 167.3 | 73.8 | 0 | 0 | 0 | 0 | 110.7 | V786 D787 I788 | T784-V786 PolarHBondContact O-N 3.27Å; T784-V786 PolarHBondContact OG1-N 3.25Å; T784-D787 WeakPolarHBondContact CA-OD2 3.24Å; T784-D787 VanDerWaalsContact CB-OD2 3.3Å; T784-D787 WeakPolarHBondContact CB-OD2 3.36Å; T784-D787 PolarHBondContact N-OD2 2.91Å; T784-D787 PolarHBondContact O-N 3.05Å; T784-D787 VanDerWaalsContact OG1-CG 3.23Å; T784-D787 PolarHBondContact OG1-N 3.11Å; T784-D787 PolarHBondContact OG1-OD2 3.44Å; T784-I788 WeakPolarHBondContact O-CG1 3.38Å; T784-I788 PolarHBondContact O-N 3.27Å |
| 785 | F | 93.7 | Very high | 89.3 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -20.9 | 168.7 | -81 | -64.3 | 0 | 0 | 0 | 113.2 | Y772 V789 L824 S825 Y828 | Y772-F785 HydrophobicContact CD1-CD2 4.26Å; Y772-F785 HydrophobicContact CD1-CE1 4.25Å; Y772-F785 AromaticContact CD1-CE2 3.4Å; Y772-F785 HydrophobicContact CD1-CE2 3.4Å; Y772-F785 VanDerWaalsContact CD1-CE2 3.4Å; Y772-F785 AromaticContact CD1-CZ 3.39Å; Y772-F785 HydrophobicContact CD1-CZ 3.39Å; Y772-F785 HydrophobicContact CD2-CD1 4.48Å; Y772-F785 HydrophobicContact CD2-CD2 4.09Å; Y772-F785 HydrophobicContact CD2-CE1 4.42Å; Y772-F785 HydrophobicContact CD2-CE2 4.02Å; Y772-F785 HydrophobicContact CD2-CG 4.31Å; Y772-F785 HydrophobicContact CD2-CZ 4.18Å; Y772-F785 HydrophobicContact CE1-CD2 4.3Å; Y772-F785 AromaticContact CE1-CE2 3.6Å; Y772-F785 HydrophobicContact CE1-CE2 3.6Å; Y772-F785 HydrophobicContact CE1-CZ 4.09Å; Y772-F785 HydrophobicContact CE2-CD2 4.13Å; Y772-F785 HydrophobicContact CE2-CE2 4.2Å; Y772-F785 HydrophobicContact CG-CD1 4.34Å; Y772-F785 HydrophobicContact CG-CD2 4.16Å; Y772-F785 AromaticContact CG-CE1 3.84Å; Y772-F785 HydrophobicContact CG-CE1 3.84Å; Y772-F785 AromaticContact CG-CE2 3.64Å; Y772-F785 HydrophobicContact CG-CE2 3.64Å; Y772-F785 HydrophobicContact CG-CG 4.48Å; Y772-F785 AromaticContact CG-CZ 3.45Å; Y772-F785 HydrophobicContact CG-CZ 3.45Å; Y772-F785 VanDerWaalsContact CG-CZ 3.45Å; F785-V789 WeakPolarHBondContact O-CB 3.47Å; F785-V789 WeakPolarHBondContact O-CG2 3.23Å; F785-V789 PolarHBondContact O-N 3.19Å; F785-L824 HydrophobicContact CD1-CD2 3.62Å; F785-L824 HydrophobicContact CD1-CG 4.02Å; F785-L824 HydrophobicContact CE1-CD2 3.75Å; F785-L824 HydrophobicContact CE1-CG 3.85Å; F785-S825 VanDerWaalsContact CD2-OG 3.29Å; F785-S825 WeakPolarHBondContact CD2-OG 3.47Å; F785-Y828 HydrophobicContact CE2-CD1 4.06Å; F785-Y828 HydrophobicContact CE2-CD2 4.44Å; F785-Y828 AromaticContact CE2-CG 3.8Å; F785-Y828 HydrophobicContact CE2-CG 3.8Å; F785-Y828 HydrophobicContact CZ-CD1 4.25Å; F785-Y828 AromaticContact CZ-CD2 3.82Å; F785-Y828 HydrophobicContact CZ-CD2 3.82Å; F785-Y828 AromaticContact CZ-CG 3.57Å; F785-Y828 HydrophobicContact CZ-CG 3.57Å |
| 786 | V | 89.5 | Confident | 88.3 | Confident | 105 Ų | 105 | 76 Ų | 76 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.2 | -46.5 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 110 | T784 I788 V789 Q790 | T784-V786 PolarHBondContact O-N 3.27Å; T784-V786 PolarHBondContact OG1-N 3.25Å; V786-I788 VanDerWaalsContact C-N 3.35Å; V786-I788 PolarHBondContact O-N 3.4Å; V786-V789 PolarHBondContact O-N 2.99Å; V786-Q790 VanDerWaalsContact O-CB 3.32Å; V786-Q790 WeakPolarHBondContact O-CB 3.29Å; V786-Q790 PolarHBondContact O-N 2.8Å |
| 787 | D | 92.5 | Very high | 87.5 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 178.4 | -49.5 | -56.2 | 0 | 0 | 0 | 111.1 | L783 T784 Q790 V791 | L783-D787 HydrophobicContact CD2-CB 4.21Å; T784-D787 WeakPolarHBondContact CA-OD2 3.24Å; T784-D787 VanDerWaalsContact CB-OD2 3.3Å; T784-D787 WeakPolarHBondContact CB-OD2 3.36Å; T784-D787 PolarHBondContact N-OD2 2.91Å; T784-D787 PolarHBondContact O-N 3.05Å; T784-D787 VanDerWaalsContact OG1-CG 3.23Å; T784-D787 PolarHBondContact OG1-N 3.11Å; T784-D787 PolarHBondContact OG1-OD2 3.44Å; D787-Q790 PolarHBondContact O-N 3.04Å; D787-V791 PolarHBondContact O-N 3.04Å |
| 788 | I | 94.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 179.2 | -61.3 | 165.9 | 0 | 0 | 0 | 111.2 | L733 M768 I771 Y772 L783 T784 V786 Q790 V791 Y792 | L733-I788 HydrophobicContact CD1-CG1 4.28Å; M768-I788 HydrophobicContact CB-CG2 3.94Å; M768-I788 HydrophobicContact CG-CG2 3.74Å; M768-I788 HydrophobicContact SD-CG2 4.29Å; I771-I788 HydrophobicContact CB-CD1 4.34Å; I771-I788 HydrophobicContact CG2-CD1 3.79Å; I771-I788 HydrophobicContact CG2-CG1 4.02Å; Y772-I788 HydrophobicContact CD2-CD1 4.14Å; Y772-I788 HydrophobicContact CG-CD1 4.39Å; L783-I788 HydrophobicContact CB-CD1 4.32Å; L783-I788 HydrophobicContact CB-CG1 4.34Å; L783-I788 HydrophobicContact CD1-CG1 4.16Å; T784-I788 WeakPolarHBondContact O-CG1 3.38Å; T784-I788 PolarHBondContact O-N 3.27Å; V786-I788 VanDerWaalsContact C-N 3.35Å; V786-I788 PolarHBondContact O-N 3.4Å; I788-Q790 VanDerWaalsContact C-N 3.27Å; I788-Q790 PolarHBondContact O-N 3.44Å; I788-V791 WeakPolarHBondContact O-CG2 3.5Å; I788-V791 PolarHBondContact O-N 2.88Å; I788-Y792 WeakPolarHBondContact O-CB 3.04Å; I788-Y792 PolarHBondContact O-N 3.45Å |
| 789 | V | 88.1 | Confident | 86.2 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 9% | 0.085 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.6 | -28.7 | 178.5 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | M768 F785 V786 Y792 R793 Y803 L824 | M768-V789 HydrophobicContact SD-CG2 4.26Å; F785-V789 WeakPolarHBondContact O-CB 3.47Å; F785-V789 WeakPolarHBondContact O-CG2 3.23Å; F785-V789 PolarHBondContact O-N 3.19Å; V786-V789 PolarHBondContact O-N 2.99Å; V789-Y792 PolarHBondContact O-N 3.05Å; V789-R793 WeakPolarHBondContact O-CD 3.36Å; V789-R793 VanDerWaalsContact O-CG 3.25Å; V789-R793 WeakPolarHBondContact O-CG 3.38Å; V789-R793 PolarHBondContact O-N 3.25Å; V789-Y803 HydrophobicContact CG1-CD1 4.02Å; V789-Y803 HydrophobicContact CG1-CD2 3.64Å; V789-Y803 HydrophobicContact CG1-CE1 3.89Å; V789-Y803 HydrophobicContact CG1-CE2 3.52Å; V789-Y803 HydrophobicContact CG1-CG 3.91Å; V789-Y803 HydrophobicContact CG2-CD1 4.45Å; V789-Y803 HydrophobicContact CG2-CD2 4.11Å; V789-Y803 HydrophobicContact CG2-CG 3.94Å; V789-L824 HydrophobicContact CG2-CD2 4.35Å |
| 790 | Q | 85.1 | Confident | 85.5 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63 | -48.5 | 175.4 | 178.4 | 170 | -25.1 | 0 | 0 | 111.5 | V786 D787 I788 | V786-Q790 VanDerWaalsContact O-CB 3.32Å; V786-Q790 WeakPolarHBondContact O-CB 3.29Å; V786-Q790 PolarHBondContact O-N 2.8Å; D787-Q790 PolarHBondContact O-N 3.04Å; I788-Q790 VanDerWaalsContact C-N 3.27Å; I788-Q790 PolarHBondContact O-N 3.44Å |
| 791 | V | 80 | Confident | 85.2 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 176.1 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | L729 R732 L733 D787 I788 R793 M794 | L729-V791 HydrophobicContact CD2-CG2 3.76Å; R732-V791 HydrophobicContact CB-CB 3.77Å; R732-V791 HydrophobicContact CB-CG1 3.68Å; L733-V791 HydrophobicContact CD1-CG2 3.89Å; L733-V791 HydrophobicContact CD2-CG1 3.97Å; L733-V791 HydrophobicContact CD2-CG2 3.89Å; L733-V791 HydrophobicContact CG-CB 4.49Å; L733-V791 HydrophobicContact CG-CG1 4.15Å; L733-V791 HydrophobicContact CG-CG2 3.64Å; D787-V791 PolarHBondContact O-N 3.04Å; I788-V791 WeakPolarHBondContact O-CG2 3.5Å; I788-V791 PolarHBondContact O-N 2.88Å; V791-R793 VanDerWaalsContact C-N 3.25Å; V791-R793 PolarHBondContact O-N 3.47Å; V791-M794 WeakPolarHBondContact O-CB 3.3Å; V791-M794 PolarHBondContact O-N 3.05Å |
| 792 | Y | 85 | Confident | 85 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -34 | -179.1 | 174 | -109.2 | 0 | 0 | 0 | 112.8 | L729 D764 M768 I788 V789 M794 Q795 S798 I802 Y803 | L729-Y792 HydrophobicContact CD2-CD2 4.27Å; D764-Y792 HydrophobicContact CB-CE2 3.85Å; D764-Y792 WeakPolarHBondContact OD2-CE2 3.39Å; D764-Y792 VanDerWaalsContact OD2-CZ 3.32Å; D764-Y792 PolarHBondContact OD2-OH 3.39Å; M768-Y792 HydrophobicContact CE-CD1 4.01Å; M768-Y792 HydrophobicContact CE-CD2 4.35Å; M768-Y792 HydrophobicContact CE-CE1 3.94Å; M768-Y792 HydrophobicContact CE-CE2 4.29Å; M768-Y792 HydrophobicContact CE-CG 4.21Å; M768-Y792 HydrophobicContact SD-CD1 3.83Å; M768-Y792 HydrophobicContact SD-CD2 4.1Å; M768-Y792 HydrophobicContact SD-CE1 4.39Å; M768-Y792 HydrophobicContact SD-CG 3.68Å; I788-Y792 WeakPolarHBondContact O-CB 3.04Å; I788-Y792 PolarHBondContact O-N 3.45Å; V789-Y792 PolarHBondContact O-N 3.05Å; Y792-M794 PolarHBondContact O-N 3.21Å; Y792-M794 VanDerWaalsContact O-N 3.09Å; Y792-Q795 WeakPolarHBondContact O-CB 3.25Å; Y792-Q795 PolarHBondContact O-N 3.21Å; Y792-S798 WeakPolarHBondContact O-CB 3.39Å; Y792-S798 PolarHBondContact O-OG 3.09Å; Y792-I802 HydrophobicContact CE1-CG2 4.44Å; Y792-I802 VanDerWaalsContact OH-CD1 3.28Å; Y792-I802 WeakPolarHBondContact OH-CD1 3.32Å; Y792-Y803 HydrophobicContact CD1-CD1 4.02Å; Y792-Y803 HydrophobicContact CD1-CE1 4.33Å; Y792-Y803 HydrophobicContact CE1-CD1 4.03Å; Y792-Y803 HydrophobicContact CE1-CE1 4.44Å |
| 793 | R | 86.7 | Confident | 84.9 | Confident | 125 Ų | 125 | 55.7 Ų | 55.7 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -15.7 | 175.3 | -74.5 | 161.1 | 174.5 | -168 | -8.4 | 114.5 | V789 V791 Q795 S798 Y803 | V789-R793 WeakPolarHBondContact O-CD 3.36Å; V789-R793 VanDerWaalsContact O-CG 3.25Å; V789-R793 WeakPolarHBondContact O-CG 3.38Å; V789-R793 PolarHBondContact O-N 3.25Å; V791-R793 VanDerWaalsContact C-N 3.25Å; V791-R793 PolarHBondContact O-N 3.47Å; R793-Q795 VanDerWaalsContact C-N 3.3Å; R793-S798 WeakPolarHBondContact CA-OG 3.28Å; R793-S798 PolarHBondContact O-OG 3.23Å; R793-Y803 PolarHBondContact NE-OH 2.89Å; R793-Y803 PolarHBondContact NH2-OH 3.36Å |
| 794 | M | 77.4 | Confident | 84.7 | Confident | 123 Ų | 123 | 60.3 Ų | 60.3 | 61% | 0.606 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -7.5 | 175.6 | -51.7 | -53.7 | -68.2 | 0 | 0 | 112.5 | V791 Y792 | V791-M794 WeakPolarHBondContact O-CB 3.3Å; V791-M794 PolarHBondContact O-N 3.05Å; Y792-M794 PolarHBondContact O-N 3.21Å; Y792-M794 VanDerWaalsContact O-N 3.09Å |
| 795 | Q | 82.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -81.8 | 141.1 | 177.5 | -59.5 | -158.4 | -33.6 | 0 | 0 | 111.8 | R725 D728 L729 Y792 R793 Q797 S798 | R725-Q795 PolarHBondContact O-NE2 2.72Å; D728-Q795 WeakPolarHBondContact OD2-CG 3.34Å; D728-Q795 PolarHBondContact OD2-NE2 3.09Å; L729-Q795 HydrophobicContact CD2-CG 4.49Å; Y792-Q795 WeakPolarHBondContact O-CB 3.25Å; Y792-Q795 PolarHBondContact O-N 3.21Å; R793-Q795 VanDerWaalsContact C-N 3.3Å; Q795-Q797 VanDerWaalsContact C-N 3.3Å; Q795-Q797 PolarHBondContact O-N 3.49Å; Q795-S798 VanDerWaalsContact O-CB 3.27Å; Q795-S798 WeakPolarHBondContact O-CB 3.37Å; Q795-S798 PolarHBondContact O-N 2.74Å; Q795-S798 PolarHBondContact O-OG 3.49Å |
| 796 | P | 74.7 | Confident | 84.1 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.4 | -173.1 | -26.4 | 35.3 | 0 | 0 | 0 | 114.8 | N276 S798 | N276-P796 PolarHBondContact ND2-O 3.42Å; P796-S798 VanDerWaalsContact C-N 3.33Å |
| 797 | Q | 79.3 | Confident | 84.2 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.2 | -179.4 | 83.2 | -69.4 | -5.8 | 0 | 0 | 113.9 | D764 Q795 Y799 | D764-Q797 PolarHBondContact OD2-NE2 2.82Å; Q795-Q797 VanDerWaalsContact C-N 3.3Å; Q795-Q797 PolarHBondContact O-N 3.49Å; Q797-Y799 PolarHBondContact O-N 2.89Å |
| 798 | S | 80.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | trans | -66.6 | 134.8 | -170.7 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | Y792 R793 Q795 P796 | Y792-S798 WeakPolarHBondContact O-CB 3.39Å; Y792-S798 PolarHBondContact O-OG 3.09Å; R793-S798 WeakPolarHBondContact CA-OG 3.28Å; R793-S798 PolarHBondContact O-OG 3.23Å; Q795-S798 VanDerWaalsContact O-CB 3.27Å; Q795-S798 WeakPolarHBondContact O-CB 3.37Å; Q795-S798 PolarHBondContact O-N 2.74Å; Q795-S798 PolarHBondContact O-OG 3.49Å; P796-S798 VanDerWaalsContact C-N 3.33Å | ||
| 799 | Y | 78.2 | Confident | 83.8 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | trans | -142.3 | 146.4 | 179.4 | -174.6 | -110.8 | 0 | 0 | 0 | 111.8 | N268 Q797 D801 I802 Y803 | N268-Y799 WeakPolarHBondContact CB-OH 3.46Å; Q797-Y799 PolarHBondContact O-N 2.89Å; Y799-D801 VanDerWaalsContact C-N 3.31Å; Y799-D801 HydrophobicContact CD1-CB 3.81Å; Y799-D801 HydrophobicContact CE1-CB 3.58Å; Y799-D801 PolarHBondContact O-N 3.1Å; Y799-I802 WeakPolarHBondContact O-CB 3.25Å; Y799-I802 PolarHBondContact O-N 3.27Å; Y799-I802 VanDerWaalsContact O-N 3.13Å; Y799-Y803 WeakPolarHBondContact O-CE1 3.4Å | ||
| 800 | R | 76.4 | Confident | 83.4 | Confident | 154 Ų | 154 | 65 Ų | 65 | 58% | 0.581 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.1 | -38.7 | -171.8 | 179.9 | 175.2 | 171.7 | 179 | -2.5 | 113.2 | I802 Y803 R804 | R800-I802 PolarHBondContact O-N 2.77Å; R800-Y803 HydrophobicContact CG-CE2 4.27Å; R800-Y803 PolarHBondContact O-N 3.37Å; R800-R804 HydrophobicContact CG-CB 4.36Å; R800-R804 HydrophobicContact CG-CG 3.8Å; R800-R804 VanDerWaalsContact O-CB 3.3Å; R800-R804 WeakPolarHBondContact O-CB 3.25Å; R800-R804 WeakPolarHBondContact O-CG 3.35Å; R800-R804 PolarHBondContact O-N 2.87Å; R800-R804 VanDerWaalsContact O-N 3.08Å |
| 801 | D | 81.7 | Confident | 82.4 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71 | -20.8 | -177.2 | -70.6 | -12.2 | 0 | 0 | 0 | 112.5 | Y799 Y803 R804 R805 | Y799-D801 VanDerWaalsContact C-N 3.31Å; Y799-D801 HydrophobicContact CD1-CB 3.81Å; Y799-D801 HydrophobicContact CE1-CB 3.58Å; Y799-D801 PolarHBondContact O-N 3.1Å; D801-Y803 PolarHBondContact O-N 3.39Å; D801-R804 PolarHBondContact O-N 2.92Å; D801-R805 HydrophobicContact CB-CB 4.13Å; D801-R805 HydrophobicContact CB-CG 4.25Å; D801-R805 WeakPolarHBondContact O-CA 3.19Å; D801-R805 PolarHBondContact O-N 2.89Å; D801-R805 IonicContact OD1-CZ 3.92Å; D801-R805 IonicContact OD1-NE 2.66Å; D801-R805 IonicContact OD1-NH1 2.69Å; D801-R805 PolarHBondContact OD1-NH1 3Å; D801-R805 IonicContact OD2-CZ 3.7Å; D801-R805 IonicContact OD2-NE 2.95Å; D801-R805 IonicContact OD2-NH1 3.16Å; D801-R805 PolarHBondContact OD2-NH1 2.79Å |
| 802 | I | 84.7 | Confident | 81.2 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -35.4 | 176 | -61.4 | 174.6 | 0 | 0 | 0 | 111 | C762 D764 Q765 M768 Y792 Y799 R800 V806 | C762-I802 HydrophobicContact CB-CG2 4.18Å; D764-I802 HydrophobicContact CB-CG2 4.16Å; Q765-I802 HydrophobicContact CG-CG2 3.98Å; Q765-I802 VanDerWaalsContact CG-O 3.28Å; Q765-I802 WeakPolarHBondContact CG-O 3.23Å; Q765-I802 PolarHBondContact NE2-O 3.09Å; M768-I802 HydrophobicContact CE-CG2 4.28Å; Y792-I802 HydrophobicContact CE1-CG2 4.44Å; Y792-I802 VanDerWaalsContact OH-CD1 3.28Å; Y792-I802 WeakPolarHBondContact OH-CD1 3.32Å; Y799-I802 WeakPolarHBondContact O-CB 3.25Å; Y799-I802 PolarHBondContact O-N 3.27Å; Y799-I802 VanDerWaalsContact O-N 3.13Å; R800-I802 PolarHBondContact O-N 2.77Å; I802-V806 WeakPolarHBondContact O-CG2 3.4Å |
| 803 | Y | 87.7 | Confident | 79.4 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -110.6 | -0.8 | 177.3 | 58.9 | -95.3 | 0 | 0 | 0 | 114.6 | V789 Y792 R793 Y799 R800 D801 D823 L824 | V789-Y803 HydrophobicContact CG1-CD1 4.02Å; V789-Y803 HydrophobicContact CG1-CD2 3.64Å; V789-Y803 HydrophobicContact CG1-CE1 3.89Å; V789-Y803 HydrophobicContact CG1-CE2 3.52Å; V789-Y803 HydrophobicContact CG1-CG 3.91Å; V789-Y803 HydrophobicContact CG2-CD1 4.45Å; V789-Y803 HydrophobicContact CG2-CD2 4.11Å; V789-Y803 HydrophobicContact CG2-CG 3.94Å; Y792-Y803 HydrophobicContact CD1-CD1 4.02Å; Y792-Y803 HydrophobicContact CD1-CE1 4.33Å; Y792-Y803 HydrophobicContact CE1-CD1 4.03Å; Y792-Y803 HydrophobicContact CE1-CE1 4.44Å; R793-Y803 PolarHBondContact NE-OH 2.89Å; R793-Y803 PolarHBondContact NH2-OH 3.36Å; Y799-Y803 WeakPolarHBondContact O-CE1 3.4Å; R800-Y803 HydrophobicContact CG-CE2 4.27Å; R800-Y803 PolarHBondContact O-N 3.37Å; D801-Y803 PolarHBondContact O-N 3.39Å; Y803-D823 WeakPolarHBondContact O-CA 3.48Å; Y803-L824 PolarHBondContact O-N 3.4Å |
| 804 | R | 87.1 | Confident | 78 | Confident | 125 Ų | 125 | 70.2 Ų | 70.2 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -115.2 | -13.6 | 178.5 | -66.5 | -64.1 | -174.3 | 132.7 | -1.7 | 115.4 | R800 D801 G822 | R800-R804 HydrophobicContact CG-CB 4.36Å; R800-R804 HydrophobicContact CG-CG 3.8Å; R800-R804 VanDerWaalsContact O-CB 3.3Å; R800-R804 WeakPolarHBondContact O-CB 3.25Å; R800-R804 WeakPolarHBondContact O-CG 3.35Å; R800-R804 PolarHBondContact O-N 2.87Å; R800-R804 VanDerWaalsContact O-N 3.08Å; D801-R804 PolarHBondContact O-N 2.92Å; R804-G822 CarbonylContact C-O 3.51Å; R804-G822 VanDerWaalsContact C-O 3.25Å |
| 805 | R | 84.2 | Confident | 76.9 | Confident | 138 Ų | 138 | 76.9 Ų | 76.9 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -137.1 | 39.3 | -177.2 | -63.1 | -171.5 | 172.9 | 153.1 | -11.4 | 112.6 | D801 R821 G822 | D801-R805 HydrophobicContact CB-CB 4.13Å; D801-R805 HydrophobicContact CB-CG 4.25Å; D801-R805 WeakPolarHBondContact O-CA 3.19Å; D801-R805 PolarHBondContact O-N 2.89Å; D801-R805 IonicContact OD1-CZ 3.92Å; D801-R805 IonicContact OD1-NE 2.66Å; D801-R805 IonicContact OD1-NH1 2.69Å; D801-R805 PolarHBondContact OD1-NH1 3Å; D801-R805 IonicContact OD2-CZ 3.7Å; D801-R805 IonicContact OD2-NE 2.95Å; D801-R805 IonicContact OD2-NH1 3.16Å; D801-R805 PolarHBondContact OD2-NH1 2.79Å; R805-R821 HydrophobicContact CB-CB 4.42Å; R805-R821 PolarHBondContact O-NH1 2.64Å; R805-G822 CarbonylContact C-O 3.34Å; R805-G822 WeakPolarHBondContact CA-O 3.34Å; R805-G822 PolarHBondContact N-O 3.26Å |
| 806 | V | 90.6 | Very high | 75.1 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 136.6 | 174.6 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | Q765 I802 I808 R821 G822 L824 F827 | Q765-V806 HydrophobicContact CG-CG1 4.43Å; Q765-V806 HydrophobicContact CG-CG2 4.21Å; I802-V806 WeakPolarHBondContact O-CG2 3.4Å; V806-I808 PolarHBondContact O-N 2.99Å; V806-R821 CarbonylContact O-C 3.55Å; V806-R821 VanDerWaalsContact O-CA 3.24Å; V806-R821 WeakPolarHBondContact O-CA 3.5Å; V806-G822 PolarHBondContact N-O 3.13Å; V806-G822 PolarHBondContact O-N 3.44Å; V806-L824 HydrophobicContact CG2-CB 4.4Å; V806-L824 HydrophobicContact CG2-CD1 4.27Å; V806-F827 HydrophobicContact CB-CB 3.95Å; V806-F827 HydrophobicContact CB-CG 4.42Å; V806-F827 HydrophobicContact CG1-CB 3.52Å; V806-F827 HydrophobicContact CG1-CD1 3.93Å; V806-F827 HydrophobicContact CG1-CD2 3.85Å; V806-F827 HydrophobicContact CG1-CG 3.47Å; V806-F827 VanDerWaalsContact CG1-CG 3.47Å; V806-F827 HydrophobicContact CG2-CB 4.43Å |
| 807 | L | 91.4 | Very high | 74.3 | Confident | 9 Ų | 9 | 80 Ų | 80 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 120 | 177.7 | -176.1 | 68.5 | 0 | 0 | 0 | 110.3 | D760 R761 R810 E819 R821 | D760-L807 HydrophobicContact CB-CD2 3.52Å; R761-L807 HydrophobicContact CG-CB 4.3Å; R761-L807 PolarHBondContact NE-O 2.85Å; R761-L807 PolarHBondContact NH2-O 2.96Å; L807-R810 HydrophobicContact CD1-CG 4.36Å; L807-R810 HydrophobicContact CD2-CG 4.36Å; L807-E819 HydrophobicContact CD1-CB 3.88Å; L807-E819 HydrophobicContact CD1-CG 4.18Å; L807-R821 HydrophobicContact CD1-CG 4.31Å |
| 808 | I | 92.7 | Very high | 74.1 | Confident | 14 Ų | 14 | 81.6 Ų | 81.6 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -60.8 | 174.4 | -52.8 | -57.5 | 0 | 0 | 0 | 108.7 | V806 E820 R826 F827 V830 I831 | V806-I808 PolarHBondContact O-N 2.99Å; I808-E820 HydrophobicContact CB-CG 4.35Å; I808-E820 PolarHBondContact N-O 2.99Å; I808-R826 HydrophobicContact CD1-CB 4.28Å; I808-R826 HydrophobicContact CD1-CG 4.03Å; I808-R826 HydrophobicContact CG1-CG 4.35Å; I808-F827 HydrophobicContact CD1-CB 3.85Å; I808-V830 HydrophobicContact CG2-CG1 4.26Å; I808-I831 HydrophobicContact CG2-CD1 4.15Å; I808-I831 WeakPolarHBondContact O-CD1 3.49Å |
| 809 | N | 86 | Confident | 74.2 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156 | -175 | -161.3 | 7.4 | 0 | 0 | 0 | 112.1 | E820 | N809-E820 HydrophobicContact CB-CB 4.18Å; N809-E820 PolarHBondContact N-O 3.47Å; N809-E820 PolarHBondContact O-N 2.64Å |
| 810 | R | 79.1 | Confident | 74.7 | Confident | 106 Ų | 106 | 82.2 Ų | 82.2 | 40% | 0.4 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.5 | 166.4 | -74.5 | -169.9 | 159.2 | 170.6 | 4 | 108.3 | T499 D760 L807 E819 | T499-R810 PolarHBondContact OG1-NH1 3.31Å; D760-R810 VanDerWaalsContact CG-NH2 3.28Å; D760-R810 IonicContact OD1-NH2 3.73Å; D760-R810 PolarHBondContact OD1-NH2 3.47Å; D760-R810 IonicContact OD2-CZ 2.68Å; D760-R810 IonicContact OD2-NE 3.79Å; D760-R810 IonicContact OD2-NH1 3.71Å; D760-R810 PolarHBondContact OD2-NH1 2.98Å; D760-R810 IonicContact OD2-NH2 3.36Å; D760-R810 PolarHBondContact OD2-NH2 3.42Å; D760-R810 VanDerWaalsContact OD2-NH2 3.08Å; L807-R810 HydrophobicContact CD1-CG 4.36Å; L807-R810 HydrophobicContact CD2-CG 4.36Å; R810-E819 HydrophobicContact CG-CG 4.38Å; R810-E819 IonicContact CZ-OE1 3.32Å; R810-E819 IonicContact NE-OE1 2.82Å; R810-E819 PolarHBondContact NE-OE1 2.99Å; R810-E819 VanDerWaalsContact NE-OE1 3.09Å; R810-E819 IonicContact NH2-OE1 3.42Å; R810-E819 PolarHBondContact NH2-OE1 2.92Å |
| 811 | V | 65.1 | Low | 75.4 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 26% | 0.255 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 107 | 179 | -164.9 | 0 | 0 | 0 | 0 | 108.5 | Y813 T818 | V811-Y813 HydrophobicContact CB-CD2 4.5Å; V811-Y813 HydrophobicContact CB-CE2 4.44Å; V811-Y813 HydrophobicContact CG1-CD2 3.6Å; V811-Y813 HydrophobicContact CG1-CE2 3.32Å; V811-Y813 HydrophobicContact CG1-CG 4.45Å; V811-Y813 PolarHBondContact O-N 3.34Å; V811-T818 PolarHBondContact N-O 3.41Å; V811-T818 PolarHBondContact O-N 3.36Å; V811-T818 PolarHBondContact O-OG1 3.45Å |
| 812 | S | 55.1 | Low | 75.6 | Confident | 81 Ų | 81 | 78.6 Ų | 78.6 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 103.1 | 176 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | N817 | S812-N817 PolarHBondContact OG-OD1 2.98Å |
| 813 | Y | 46.5 | Very low | 76 | Confident | 183 Ų | 183 | 80.5 Ų | 80.5 | 72% | 0.718 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 109.2 | 171.8 | -81.5 | -64.6 | 0 | 0 | 0 | 109.4 | V811 R815 G816 | V811-Y813 HydrophobicContact CB-CD2 4.5Å; V811-Y813 HydrophobicContact CB-CE2 4.44Å; V811-Y813 HydrophobicContact CG1-CD2 3.6Å; V811-Y813 HydrophobicContact CG1-CE2 3.32Å; V811-Y813 HydrophobicContact CG1-CG 4.45Å; V811-Y813 PolarHBondContact O-N 3.34Å; Y813-R815 PolarHBondContact O-N 3.17Å; Y813-G816 PolarHBondContact N-O 2.68Å; Y813-G816 VanDerWaalsContact N-O 3.15Å; Y813-G816 PolarHBondContact O-N 2.84Å; Y813-G816 VanDerWaalsContact O-N 3.12Å |
| 814 | G | 57.7 | Low | 76.3 | Confident | 80 Ų | 80 | 79.9 Ų | 79.9 | 83% | 0.825 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -128.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G816 | G814-G816 VanDerWaalsContact C-N 3.28Å; G814-G816 PolarHBondContact O-N 2.98Å |
| 815 | R | 53.1 | Low | 76.7 | Confident | 263 Ų | 263 | 76 Ų | 76 | 99% | 0.992 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.9 | 179.1 | -123.1 | -146.8 | -65.3 | -111 | 8.3 | 114.6 | Y813 | Y813-R815 PolarHBondContact O-N 3.17Š|
| 816 | G | 44.8 | Very low | 77.3 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y813 G814 T818 | Y813-G816 PolarHBondContact N-O 2.68Å; Y813-G816 VanDerWaalsContact N-O 3.15Å; Y813-G816 PolarHBondContact O-N 2.84Å; Y813-G816 VanDerWaalsContact O-N 3.12Å; G814-G816 VanDerWaalsContact C-N 3.28Å; G814-G816 PolarHBondContact O-N 2.98Å; G816-T818 PolarHBondContact O-N 2.87Å |
| 817 | N | 59.2 | Low | 77.6 | Confident | 135 Ų | 135 | 75.4 Ų | 75.4 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 115.3 | 166.9 | -72.6 | -9 | 0 | 0 | 0 | 109.1 | S812 | S812-N817 PolarHBondContact OG-OD1 2.98Å |
| 818 | T | 73.7 | Confident | 77.9 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.9 | 173.6 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | V811 G816 | V811-T818 PolarHBondContact N-O 3.41Å; V811-T818 PolarHBondContact O-N 3.36Å; V811-T818 PolarHBondContact O-OG1 3.45Å; G816-T818 PolarHBondContact O-N 2.87Å |
| 819 | E | 84.1 | Confident | 78.1 | Confident | 61 Ų | 61 | 78.7 Ų | 78.7 | 29% | 0.285 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.3 | 177 | -61.4 | -168.6 | 138.5 | 0 | 0 | 110.5 | L807 R810 R821 | L807-E819 HydrophobicContact CD1-CB 3.88Å; L807-E819 HydrophobicContact CD1-CG 4.18Å; R810-E819 HydrophobicContact CG-CG 4.38Å; R810-E819 IonicContact CZ-OE1 3.32Å; R810-E819 IonicContact NE-OE1 2.82Å; R810-E819 PolarHBondContact NE-OE1 2.99Å; R810-E819 VanDerWaalsContact NE-OE1 3.09Å; R810-E819 IonicContact NH2-OE1 3.42Å; R810-E819 PolarHBondContact NH2-OE1 2.92Å; E819-R821 IonicContact OE1-NH2 2.74Å; E819-R821 IonicContact OE2-CZ 2.7Å; E819-R821 VanDerWaalsContact OE2-CZ 3.26Å; E819-R821 IonicContact OE2-NE 3.82Å; E819-R821 PolarHBondContact OE2-NE 3.34Å; E819-R821 IonicContact OE2-NH2 3.13Å; E819-R821 PolarHBondContact OE2-NH2 3.47Å |
| 820 | E | 87.8 | Confident | 78.6 | Confident | 64 Ų | 64 | 78.7 Ų | 78.7 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.9 | 167.1 | -170.1 | -164.3 | 152 | 0 | 0 | 108.9 | I808 N809 R826 | I808-E820 HydrophobicContact CB-CG 4.35Å; I808-E820 PolarHBondContact N-O 2.99Å; N809-E820 HydrophobicContact CB-CB 4.18Å; N809-E820 PolarHBondContact N-O 3.47Å; N809-E820 PolarHBondContact O-N 2.64Å; E820-R826 IonicContact OE1-CZ 2.94Å; E820-R826 IonicContact OE1-NE 2.74Å; E820-R826 PolarHBondContact OE1-NE 2.98Å; E820-R826 IonicContact OE1-NH2 3.15Å; E820-R826 PolarHBondContact OE1-NH2 2.77Å |
| 821 | R | 90.6 | Very high | 79.4 | Confident | 109 Ų | 109 | 74.9 Ų | 74.9 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.9 | 179.3 | -67.7 | 179.7 | 174.8 | -86.1 | -2.1 | 110.5 | R805 V806 L807 E819 | R805-R821 HydrophobicContact CB-CB 4.42Å; R805-R821 PolarHBondContact O-NH1 2.64Å; V806-R821 CarbonylContact O-C 3.55Å; V806-R821 VanDerWaalsContact O-CA 3.24Å; V806-R821 WeakPolarHBondContact O-CA 3.5Å; L807-R821 HydrophobicContact CD1-CG 4.31Å; E819-R821 IonicContact OE1-NH2 2.74Å; E819-R821 IonicContact OE2-CZ 2.7Å; E819-R821 VanDerWaalsContact OE2-CZ 3.26Å; E819-R821 IonicContact OE2-NE 3.82Å; E819-R821 PolarHBondContact OE2-NE 3.34Å; E819-R821 IonicContact OE2-NH2 3.13Å; E819-R821 PolarHBondContact OE2-NH2 3.47Å |
| 822 | G | 86.9 | Confident | 81 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | -177.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R804 R805 V806 | R804-G822 CarbonylContact C-O 3.51Å; R804-G822 VanDerWaalsContact C-O 3.25Å; R805-G822 CarbonylContact C-O 3.34Å; R805-G822 WeakPolarHBondContact CA-O 3.34Å; R805-G822 PolarHBondContact N-O 3.26Å; V806-G822 PolarHBondContact N-O 3.13Å; V806-G822 PolarHBondContact O-N 3.44Å |
| 823 | D | 92.2 | Very high | 83 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | trans | -78.6 | 169.7 | 169.7 | 65.2 | 26.1 | 0 | 0 | 0 | 112.2 | Y803 S825 R826 F827 | Y803-D823 WeakPolarHBondContact O-CA 3.48Å; D823-S825 PolarHBondContact O-N 2.92Å; D823-S825 WeakPolarHBondContact OD1-CB 3.46Å; D823-S825 PolarHBondContact OD1-N 2.95Å; D823-R826 PolarHBondContact O-N 2.72Å; D823-R826 VanDerWaalsContact O-N 3.17Å; D823-R826 PolarHBondContact OD1-N 3.38Å; D823-F827 PolarHBondContact O-N 3.07Å | ||
| 824 | L | 94.7 | Very high | 85.4 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.5 | -32.7 | 179.3 | -170.8 | 66.6 | 0 | 0 | 0 | 112.7 | Q765 M768 F785 V789 Y803 V806 F827 Y828 | Q765-L824 HydrophobicContact CB-CD1 3.94Å; Q765-L824 HydrophobicContact CG-CD1 4.15Å; M768-L824 HydrophobicContact CB-CD2 3.76Å; M768-L824 HydrophobicContact CE-CD2 3.99Å; M768-L824 HydrophobicContact CG-CD2 4.41Å; M768-L824 HydrophobicContact SD-CD2 3.78Å; F785-L824 HydrophobicContact CD1-CD2 3.62Å; F785-L824 HydrophobicContact CD1-CG 4.02Å; F785-L824 HydrophobicContact CE1-CD2 3.75Å; F785-L824 HydrophobicContact CE1-CG 3.85Å; V789-L824 HydrophobicContact CG2-CD2 4.35Å; Y803-L824 PolarHBondContact O-N 3.4Å; V806-L824 HydrophobicContact CG2-CB 4.4Å; V806-L824 HydrophobicContact CG2-CD1 4.27Å; L824-F827 HydrophobicContact CD1-CD1 4.21Å; L824-Y828 WeakPolarHBondContact O-CB 3.21Å; L824-Y828 PolarHBondContact O-N 3.06Å |
| 825 | S | 94.9 | Very high | 87.3 | Confident | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 177 | -57.1 | 0 | 0 | 0 | 0 | 112 | F785 D823 N829 | F785-S825 VanDerWaalsContact CD2-OG 3.29Å; F785-S825 WeakPolarHBondContact CD2-OG 3.47Å; D823-S825 PolarHBondContact O-N 2.92Å; D823-S825 WeakPolarHBondContact OD1-CB 3.46Å; D823-S825 PolarHBondContact OD1-N 2.95Å; S825-N829 PolarHBondContact O-N 3.03Å; S825-N829 VanDerWaalsContact O-N 3.09Å; S825-N829 PolarHBondContact O-ND2 3.3Å |
| 826 | R | 96.2 | Very high | 89.4 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 173.5 | -172.4 | 179.8 | 179.4 | 104.8 | -6.7 | 110.6 | I808 E820 D823 Y828 N829 V830 | I808-R826 HydrophobicContact CD1-CB 4.28Å; I808-R826 HydrophobicContact CD1-CG 4.03Å; I808-R826 HydrophobicContact CG1-CG 4.35Å; E820-R826 IonicContact OE1-CZ 2.94Å; E820-R826 IonicContact OE1-NE 2.74Å; E820-R826 PolarHBondContact OE1-NE 2.98Å; E820-R826 IonicContact OE1-NH2 3.15Å; E820-R826 PolarHBondContact OE1-NH2 2.77Å; D823-R826 PolarHBondContact O-N 2.72Å; D823-R826 VanDerWaalsContact O-N 3.17Å; D823-R826 PolarHBondContact OD1-N 3.38Å; R826-Y828 VanDerWaalsContact C-N 3.32Å; R826-Y828 PolarHBondContact O-N 2.72Å; R826-N829 PolarHBondContact O-N 2.79Å; R826-V830 HydrophobicContact CG-CG2 4.1Å; R826-V830 VanDerWaalsContact O-CB 3.27Å; R826-V830 WeakPolarHBondContact O-CB 3.46Å; R826-V830 VanDerWaalsContact O-CG2 3.27Å; R826-V830 WeakPolarHBondContact O-CG2 3.18Å; R826-V830 PolarHBondContact O-N 3.38Å |
| 827 | F | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 174.7 | 167.8 | -112.9 | 0 | 0 | 0 | 112 | L757 R761 Q765 V806 I808 D823 L824 N829 I831 F832 | L757-F827 HydrophobicContact CD2-CE2 4.36Å; L757-F827 HydrophobicContact CD2-CZ 4.19Å; R761-F827 VanDerWaalsContact NE-CE2 3.26Å; Q765-F827 HydrophobicContact CB-CE1 4.39Å; V806-F827 HydrophobicContact CB-CB 3.95Å; V806-F827 HydrophobicContact CB-CG 4.42Å; V806-F827 HydrophobicContact CG1-CB 3.52Å; V806-F827 HydrophobicContact CG1-CD1 3.93Å; V806-F827 HydrophobicContact CG1-CD2 3.85Å; V806-F827 HydrophobicContact CG1-CG 3.47Å; V806-F827 VanDerWaalsContact CG1-CG 3.47Å; V806-F827 HydrophobicContact CG2-CB 4.43Å; I808-F827 HydrophobicContact CD1-CB 3.85Å; D823-F827 PolarHBondContact O-N 3.07Å; L824-F827 HydrophobicContact CD1-CD1 4.21Å; F827-N829 PolarHBondContact O-N 3.43Å; F827-I831 HydrophobicContact CD2-CB 3.96Å; F827-I831 HydrophobicContact CD2-CD1 4.14Å; F827-I831 HydrophobicContact CD2-CG1 4.39Å; F827-I831 HydrophobicContact CD2-CG2 4.47Å; F827-I831 HydrophobicContact CE2-CB 3.94Å; F827-I831 HydrophobicContact CE2-CG2 3.99Å; F827-I831 PolarHBondContact O-N 2.96Å; F827-F832 HydrophobicContact CE1-CB 4.03Å; F827-F832 HydrophobicContact CE1-CD2 4.32Å; F827-F832 HydrophobicContact CZ-CB 4.03Å; F827-F832 HydrophobicContact CZ-CD2 4.37Å; F827-F832 PolarHBondContact O-N 3.26Å |
| 828 | Y | 98.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -58 | -51.9 | 179 | 177.3 | -92.9 | 0 | 0 | 0 | 112.1 | C769 Y772 G773 F785 L824 R826 F832 L833 | C769-Y828 HydrophobicContact CB-CD2 3.96Å; Y772-Y828 AromaticContact CD1-CD1 3.91Å; Y772-Y828 HydrophobicContact CD1-CD1 3.91Å; Y772-Y828 AromaticContact CD1-CD2 3.96Å; Y772-Y828 HydrophobicContact CD1-CD2 3.96Å; Y772-Y828 AromaticContact CD1-CE1 3.63Å; Y772-Y828 HydrophobicContact CD1-CE1 3.63Å; Y772-Y828 AromaticContact CD1-CE2 3.65Å; Y772-Y828 HydrophobicContact CD1-CE2 3.65Å; Y772-Y828 HydrophobicContact CD1-CG 4.07Å; Y772-Y828 AromaticContact CD1-CZ 3.48Å; Y772-Y828 VanDerWaalsContact CD1-CZ 3.48Å; Y772-Y828 AromaticContact CE1-CD1 3.76Å; Y772-Y828 HydrophobicContact CE1-CD1 3.76Å; Y772-Y828 AromaticContact CE1-CE1 3.41Å; Y772-Y828 HydrophobicContact CE1-CE1 3.41Å; Y772-Y828 VanDerWaalsContact CE1-CE1 3.41Å; Y772-Y828 HydrophobicContact CE1-CE2 4.31Å; Y772-Y828 HydrophobicContact CE1-CG 4.37Å; Y772-Y828 AromaticContact CE1-CZ 3.7Å; G773-Y828 WeakPolarHBondContact CA-OH 3.29Å; F785-Y828 HydrophobicContact CE2-CD1 4.06Å; F785-Y828 HydrophobicContact CE2-CD2 4.44Å; F785-Y828 AromaticContact CE2-CG 3.8Å; F785-Y828 HydrophobicContact CE2-CG 3.8Å; F785-Y828 HydrophobicContact CZ-CD1 4.25Å; F785-Y828 AromaticContact CZ-CD2 3.82Å; F785-Y828 HydrophobicContact CZ-CD2 3.82Å; F785-Y828 AromaticContact CZ-CG 3.57Å; F785-Y828 HydrophobicContact CZ-CG 3.57Å; L824-Y828 WeakPolarHBondContact O-CB 3.21Å; L824-Y828 PolarHBondContact O-N 3.06Å; R826-Y828 VanDerWaalsContact C-N 3.32Å; R826-Y828 PolarHBondContact O-N 2.72Å; Y828-F832 HydrophobicContact CD2-CB 4.48Å; Y828-F832 AromaticContact CD2-CD1 3.54Å; Y828-F832 HydrophobicContact CD2-CD1 3.54Å; Y828-F832 HydrophobicContact CD2-CE1 4.15Å; Y828-F832 HydrophobicContact CD2-CG 4.31Å; Y828-F832 AromaticContact CE2-CD1 3.61Å; Y828-F832 HydrophobicContact CE2-CD1 3.61Å; Y828-F832 AromaticContact CE2-CE1 3.9Å; Y828-F832 HydrophobicContact CE2-CE1 3.9Å; Y828-L833 HydrophobicContact CD1-CB 4.32Å; Y828-L833 HydrophobicContact CE1-CB 3.9Å; Y828-L833 HydrophobicContact CE1-CD2 3.81Å; Y828-L833 HydrophobicContact CE1-CG 4.3Å; Y828-L833 HydrophobicContact CE2-CB 4.4Å; Y828-L833 WeakPolarHBondContact O-CB 3.27Å; Y828-L833 PolarHBondContact O-N 3.06Å |
| 829 | N | 96.9 | Very high | 94.4 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -75.3 | -30.8 | -174 | -68.8 | -60.6 | 0 | 0 | 0 | 113.6 | S825 R826 F827 P834 | S825-N829 PolarHBondContact O-N 3.03Å; S825-N829 VanDerWaalsContact O-N 3.09Å; S825-N829 PolarHBondContact O-ND2 3.3Å; R826-N829 PolarHBondContact O-N 2.79Å; F827-N829 PolarHBondContact O-N 3.43Å; N829-P834 WeakPolarHBondContact O-CD 3.43Å |
| 830 | V | 96.4 | Very high | 95 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 52% | 0.515 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -91.7 | -28.1 | -173.4 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | I808 R826 | I808-V830 HydrophobicContact CG2-CG1 4.26Å; R826-V830 HydrophobicContact CG-CG2 4.1Å; R826-V830 VanDerWaalsContact O-CB 3.27Å; R826-V830 WeakPolarHBondContact O-CB 3.46Å; R826-V830 VanDerWaalsContact O-CG2 3.27Å; R826-V830 WeakPolarHBondContact O-CG2 3.18Å; R826-V830 PolarHBondContact O-N 3.38Å |
| 831 | I | 96.7 | Very high | 95.2 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -128.6 | -60.2 | -170 | -52.6 | -174.6 | 0 | 0 | 0 | 111.7 | L757 I808 F827 P834 Q835 | L757-I831 HydrophobicContact CD2-CG2 3.9Å; I808-I831 HydrophobicContact CG2-CD1 4.15Å; I808-I831 WeakPolarHBondContact O-CD1 3.49Å; F827-I831 HydrophobicContact CD2-CB 3.96Å; F827-I831 HydrophobicContact CD2-CD1 4.14Å; F827-I831 HydrophobicContact CD2-CG1 4.39Å; F827-I831 HydrophobicContact CD2-CG2 4.47Å; F827-I831 HydrophobicContact CE2-CB 3.94Å; F827-I831 HydrophobicContact CE2-CG2 3.99Å; F827-I831 PolarHBondContact O-N 2.96Å; I831-P834 WeakPolarHBondContact O-CD 3.26Å; I831-Q835 PolarHBondContact O-N 3.22Å |
| 832 | F | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -64 | -50.7 | -173.1 | -179.2 | -88.3 | 0 | 0 | 0 | 112.3 | V750 L757 V766 C769 F827 Y828 Q835 M836 I840 | V750-F832 HydrophobicContact CG2-CE2 3.92Å; V750-F832 HydrophobicContact CG2-CZ 4.39Å; L757-F832 HydrophobicContact CD1-CD2 3.95Å; L757-F832 HydrophobicContact CD1-CE2 4.31Å; L757-F832 HydrophobicContact CD2-CD2 4.49Å; V766-F832 HydrophobicContact CG1-CE2 4.46Å; C769-F832 HydrophobicContact CB-CD1 3.76Å; C769-F832 HydrophobicContact CB-CD2 3.77Å; C769-F832 HydrophobicContact CB-CE1 3.71Å; C769-F832 HydrophobicContact CB-CE2 3.72Å; C769-F832 HydrophobicContact CB-CG 3.79Å; C769-F832 HydrophobicContact CB-CZ 3.7Å; F827-F832 HydrophobicContact CE1-CB 4.03Å; F827-F832 HydrophobicContact CE1-CD2 4.32Å; F827-F832 HydrophobicContact CZ-CB 4.03Å; F827-F832 HydrophobicContact CZ-CD2 4.37Å; F827-F832 PolarHBondContact O-N 3.26Å; Y828-F832 HydrophobicContact CD2-CB 4.48Å; Y828-F832 AromaticContact CD2-CD1 3.54Å; Y828-F832 HydrophobicContact CD2-CD1 3.54Å; Y828-F832 HydrophobicContact CD2-CE1 4.15Å; Y828-F832 HydrophobicContact CD2-CG 4.31Å; Y828-F832 AromaticContact CE2-CD1 3.61Å; Y828-F832 HydrophobicContact CE2-CD1 3.61Å; Y828-F832 AromaticContact CE2-CE1 3.9Å; Y828-F832 HydrophobicContact CE2-CE1 3.9Å; F832-Q835 PolarHBondContact O-N 3.23Å; F832-M836 HydrophobicContact CD1-CB 4.36Å; F832-M836 HydrophobicContact CD1-CG 4.44Å; F832-M836 HydrophobicContact CD2-CG 4.37Å; F832-M836 HydrophobicContact CE1-CB 4.1Å; F832-M836 HydrophobicContact CE1-CG 4.18Å; F832-M836 HydrophobicContact CE2-CG 4.1Å; F832-M836 HydrophobicContact CZ-CB 4.35Å; F832-M836 HydrophobicContact CZ-CG 3.99Å; F832-M836 VanDerWaalsContact O-CB 3.31Å; F832-M836 WeakPolarHBondContact O-CB 3.44Å; F832-M836 PolarHBondContact O-N 2.9Å; F832-I840 HydrophobicContact CE1-CD1 3.82Å |
| 833 | L | 97.5 | Very high | 95.3 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -46.6 | -177.9 | 177.7 | 62.9 | 0 | 0 | 0 | 112 | Y828 Q835 M836 K837 | Y828-L833 HydrophobicContact CD1-CB 4.32Å; Y828-L833 HydrophobicContact CE1-CB 3.9Å; Y828-L833 HydrophobicContact CE1-CD2 3.81Å; Y828-L833 HydrophobicContact CE1-CG 4.3Å; Y828-L833 HydrophobicContact CE2-CB 4.4Å; Y828-L833 WeakPolarHBondContact O-CB 3.27Å; Y828-L833 PolarHBondContact O-N 3.06Å; L833-Q835 PolarHBondContact O-N 2.8Å; L833-M836 PolarHBondContact O-N 2.61Å; L833-K837 HydrophobicContact CD1-CB 3.93Å; L833-K837 HydrophobicContact CD1-CG 4.36Å; L833-K837 HydrophobicContact CG-CB 4.5Å; L833-K837 WeakPolarHBondContact O-CA 3.11Å; L833-K837 WeakPolarHBondContact O-CB 3.22Å; L833-K837 PolarHBondContact O-N 2.75Å |
| 834 | P | 97.1 | Very high | 95.1 | Very high | 82 Ų | 82 | 51 Ų | 51 | 53% | 0.532 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -50.8 | -38.5 | 175 | -32.7 | 38.2 | 0 | 0 | 0 | 114.8 | N829 I831 | N829-P834 WeakPolarHBondContact O-CD 3.43Å; I831-P834 WeakPolarHBondContact O-CD 3.26Å |
| 835 | Q | 96.2 | Very high | 94.8 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -78.7 | -46.7 | 176.5 | -66.5 | 177.8 | -11.7 | 0 | 0 | 112.1 | I831 F832 L833 | I831-Q835 PolarHBondContact O-N 3.22Å; F832-Q835 PolarHBondContact O-N 3.23Å; L833-Q835 PolarHBondContact O-N 2.8Å |
| 836 | M | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -88.7 | -7.9 | -171 | -67.5 | -63.9 | -64.1 | 0 | 0 | 115.5 | Q749 V750 E754 L757 F832 L833 D838 F839 I840 | Q749-M836 HydrophobicContact CB-CE 4.12Å; Q749-M836 HydrophobicContact CG-CE 3.81Å; Q749-M836 HydrophobicContact CG-SD 4.34Å; V750-M836 HydrophobicContact CG2-CE 3.58Å; V750-M836 HydrophobicContact CG2-CG 4.1Å; V750-M836 HydrophobicContact CG2-SD 3.59Å; V750-M836 VanDerWaalsContact CG2-SD 3.59Å; E754-M836 HydrophobicContact CB-SD 4.34Å; E754-M836 HydrophobicContact CG-SD 3.76Å; L757-M836 HydrophobicContact CD1-CG 4.03Å; L757-M836 HydrophobicContact CD1-SD 4.46Å; F832-M836 HydrophobicContact CD1-CB 4.36Å; F832-M836 HydrophobicContact CD1-CG 4.44Å; F832-M836 HydrophobicContact CD2-CG 4.37Å; F832-M836 HydrophobicContact CE1-CB 4.1Å; F832-M836 HydrophobicContact CE1-CG 4.18Å; F832-M836 HydrophobicContact CE2-CG 4.1Å; F832-M836 HydrophobicContact CZ-CB 4.35Å; F832-M836 HydrophobicContact CZ-CG 3.99Å; F832-M836 VanDerWaalsContact O-CB 3.31Å; F832-M836 WeakPolarHBondContact O-CB 3.44Å; F832-M836 PolarHBondContact O-N 2.9Å; L833-M836 PolarHBondContact O-N 2.61Å; M836-D838 PolarHBondContact O-N 3.13Å; M836-F839 HydrophobicContact CE-CB 4.34Å; M836-F839 HydrophobicContact CE-CD1 3.91Å; M836-F839 HydrophobicContact CE-CG 4.33Å; M836-F839 PolarHBondContact O-N 3.27Å; M836-I840 HydrophobicContact CB-CD1 3.53Å; M836-I840 HydrophobicContact CB-CG1 4.04Å; M836-I840 WeakPolarHBondContact O-CB 3.5Å; M836-I840 VanDerWaalsContact O-CG1 3.29Å; M836-I840 WeakPolarHBondContact O-CG1 3.44Å; M836-I840 PolarHBondContact O-N 3.2Å |
| 837 | K | 95.5 | Very high | 92.8 | Very high | 106 Ų | 106 | 57.1 Ų | 57.1 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -50.1 | -50 | -169.6 | 176 | -179.5 | 179.4 | -171.6 | 0 | 114.2 | L833 K841 | L833-K837 HydrophobicContact CD1-CB 3.93Å; L833-K837 HydrophobicContact CD1-CG 4.36Å; L833-K837 HydrophobicContact CG-CB 4.5Å; L833-K837 WeakPolarHBondContact O-CA 3.11Å; L833-K837 WeakPolarHBondContact O-CB 3.22Å; L833-K837 PolarHBondContact O-N 2.75Å; K837-K841 WeakPolarHBondContact O-CG 3.43Å; K837-K841 PolarHBondContact O-N 3.11Å |
| 838 | D | 93.6 | Very high | 90.7 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 51% | 0.508 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -80.5 | -28.5 | -173.4 | -64.7 | -41 | 0 | 0 | 0 | 112.1 | M836 K841 K842 | M836-D838 PolarHBondContact O-N 3.13Å; D838-K841 IonicContact OD1-NZ 3.26Å; D838-K841 PolarHBondContact OD1-NZ 2.84Å; D838-K842 WeakPolarHBondContact O-CG 3.33Å; D838-K842 PolarHBondContact O-N 3.45Å |
| 839 | F | 94.8 | Very high | 88.2 | Confident | 36 Ų | 36 | 65 Ų | 65 | 16% | 0.158 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 167.4 | -171.3 | -88.4 | 0 | 0 | 0 | 111.8 | T745 Q749 M836 K841 K842 A843 P882 | T745-F839 HydrophobicContact CG2-CZ 4.18Å; Q749-F839 HydrophobicContact CB-CD1 4.06Å; Q749-F839 HydrophobicContact CB-CD2 4.4Å; Q749-F839 HydrophobicContact CB-CE1 3.64Å; Q749-F839 HydrophobicContact CB-CE2 4Å; Q749-F839 HydrophobicContact CB-CG 4.42Å; Q749-F839 HydrophobicContact CB-CZ 3.61Å; Q749-F839 VanDerWaalsContact CD-CE2 3.46Å; Q749-F839 HydrophobicContact CG-CD1 3.83Å; Q749-F839 HydrophobicContact CG-CD2 3.63Å; Q749-F839 HydrophobicContact CG-CE1 3.87Å; Q749-F839 HydrophobicContact CG-CE2 3.66Å; Q749-F839 HydrophobicContact CG-CG 3.71Å; Q749-F839 HydrophobicContact CG-CZ 3.78Å; M836-F839 HydrophobicContact CE-CB 4.34Å; M836-F839 HydrophobicContact CE-CD1 3.91Å; M836-F839 HydrophobicContact CE-CG 4.33Å; M836-F839 PolarHBondContact O-N 3.27Å; F839-K841 VanDerWaalsContact C-N 3.28Å; F839-K841 PolarHBondContact O-N 3.25Å; F839-K842 CarbonylContact O-C 3.34Å; F839-K842 PolarHBondContact O-N 3.24Å; F839-A843 HydrophobicContact CD1-CB 4.15Å; F839-A843 HydrophobicContact CE1-CB 3.83Å; F839-A843 WeakPolarHBondContact O-CB 3.23Å; F839-A843 PolarHBondContact O-N 3.11Å; F839-P882 HydrophobicContact CE2-CB 4.16Å; F839-P882 HydrophobicContact CE2-CG 4.41Å; F839-P882 HydrophobicContact CZ-CB 4.23Å; F839-P882 HydrophobicContact CZ-CG 4.42Å |
| 840 | I | 95.2 | Very high | 85.5 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57 | -41.2 | 179.7 | -73.5 | 166.1 | 0 | 0 | 0 | 111.2 | G773 I774 L777 F832 M836 A844 | G773-I840 WeakPolarHBondContact O-CG2 3.16Å; I774-I840 HydrophobicContact CD1-CG2 4.23Å; L777-I840 HydrophobicContact CD1-CG2 3.75Å; L777-I840 HydrophobicContact CG-CG2 4.48Å; F832-I840 HydrophobicContact CE1-CD1 3.82Å; M836-I840 HydrophobicContact CB-CD1 3.53Å; M836-I840 HydrophobicContact CB-CG1 4.04Å; M836-I840 WeakPolarHBondContact O-CB 3.5Å; M836-I840 VanDerWaalsContact O-CG1 3.29Å; M836-I840 WeakPolarHBondContact O-CG1 3.44Å; M836-I840 PolarHBondContact O-N 3.2Å; I840-A844 WeakPolarHBondContact O-CB 3.11Å; I840-A844 PolarHBondContact O-N 2.7Å |
| 841 | K | 93.2 | Very high | 82.5 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 172.6 | -69.9 | 170.3 | -174.4 | 165.8 | 0 | 112.4 | L777 K837 D838 F839 S845 | L777-K841 HydrophobicContact CD1-CG 4.39Å; K837-K841 WeakPolarHBondContact O-CG 3.43Å; K837-K841 PolarHBondContact O-N 3.11Å; D838-K841 IonicContact OD1-NZ 3.26Å; D838-K841 PolarHBondContact OD1-NZ 2.84Å; F839-K841 VanDerWaalsContact C-N 3.28Å; F839-K841 PolarHBondContact O-N 3.25Å; K841-S845 WeakPolarHBondContact O-CB 3.26Å; K841-S845 PolarHBondContact O-N 2.76Å; K841-S845 VanDerWaalsContact O-N 3.13Å; K841-S845 PolarHBondContact O-OG 2.94Å |
| 842 | K | 91.2 | Very high | 79.5 | Confident | 112 Ų | 112 | 77.5 Ų | 77.5 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 178.7 | -72 | 178.8 | -179.5 | -172.5 | 0 | 111.3 | D838 F839 S845 V846 P882 | D838-K842 WeakPolarHBondContact O-CG 3.33Å; D838-K842 PolarHBondContact O-N 3.45Å; F839-K842 CarbonylContact O-C 3.34Å; F839-K842 PolarHBondContact O-N 3.24Å; K842-S845 PolarHBondContact O-N 3.36Å; K842-S845 PolarHBondContact O-OG 3.16Å; K842-V846 WeakPolarHBondContact O-CG2 3.33Å; K842-V846 PolarHBondContact O-N 3.16Å; K842-P882 HydrophobicContact CB-CG 4.14Å |
| 843 | A | 88.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.008 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I774 F839 S845 V846 | I774-A843 HydrophobicContact CD1-CB 3.92Å; F839-A843 HydrophobicContact CD1-CB 4.15Å; F839-A843 HydrophobicContact CE1-CB 3.83Å; F839-A843 WeakPolarHBondContact O-CB 3.23Å; F839-A843 PolarHBondContact O-N 3.11Å; A843-S845 VanDerWaalsContact C-N 3.3Å; A843-S845 PolarHBondContact O-N 2.81Å; A843-V846 WeakPolarHBondContact O-CG2 3.39Å; A843-V846 PolarHBondContact O-N 3.16Å |
| 844 | A | 88.4 | Confident | 73.3 | Confident | 17 Ų | 17 | 86.8 Ų | 86.8 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L777 V778 I840 | L777-A844 HydrophobicContact CB-CB 3.88Å; L777-A844 HydrophobicContact CD1-CB 3.9Å; V778-A844 HydrophobicContact CG2-CB 3.79Å; I840-A844 WeakPolarHBondContact O-CB 3.11Å; I840-A844 PolarHBondContact O-N 2.7Å |
| 845 | S | 86.8 | Confident | 70.8 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 42% | 0.42 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -81.4 | -9.4 | -178.9 | 59.9 | 0 | 0 | 0 | 0 | 115.1 | K841 K842 A843 R847 H881 | K841-S845 WeakPolarHBondContact O-CB 3.26Å; K841-S845 PolarHBondContact O-N 2.76Å; K841-S845 VanDerWaalsContact O-N 3.13Å; K841-S845 PolarHBondContact O-OG 2.94Å; K842-S845 PolarHBondContact O-N 3.36Å; K842-S845 PolarHBondContact O-OG 3.16Å; A843-S845 VanDerWaalsContact C-N 3.3Å; A843-S845 PolarHBondContact O-N 2.81Å; S845-R847 PolarHBondContact O-N 3.24Å; S845-R847 VanDerWaalsContact O-N 3.09Å; S845-H881 PolarHBondContact OG-CE1 3.16Å; S845-H881 VanDerWaalsContact OG-CE1 3.29Å; S845-H881 PolarHBondContact OG-ND1 3.33Å |
| 846 | V | 81.2 | Confident | 68.1 | Low | 17 Ų | 17 | 90.2 Ų | 90.2 | 10% | 0.103 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 116.4 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | K742 K842 A843 H881 P882 L884 | K742-V846 WeakPolarHBondContact CE-O 3.44Å; K742-V846 PolarHBondContact NZ-O 3.21Å; K842-V846 WeakPolarHBondContact O-CG2 3.33Å; K842-V846 PolarHBondContact O-N 3.16Å; A843-V846 WeakPolarHBondContact O-CG2 3.39Å; A843-V846 PolarHBondContact O-N 3.16Å; V846-H881 HydrophobicContact CG2-CB 4.32Å; V846-P882 HydrophobicContact CG2-CG 4.05Å; V846-P882 WeakPolarHBondContact CG2-O 3.19Å; V846-L884 HydrophobicContact CG1-CD2 4.25Å; V846-L884 HydrophobicContact CG1-CG 4.18Å |
| 847 | R | 68.9 | Low | 64.9 | Low | 223 Ų | 223 | 96 Ų | 96 | 84% | 0.842 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 133.1 | 170.7 | -72.6 | -175.5 | 176.4 | -178.9 | -0.3 | 109.2 | S845 T849 | S845-R847 PolarHBondContact O-N 3.24Å; S845-R847 VanDerWaalsContact O-N 3.09Å; R847-T849 PolarHBondContact O-N 2.9Å |
| 848 | S | 52.9 | Low | 61.9 | Low | 43 Ų | 43 | 101.9 Ų | 101.9 | 30% | 0.301 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 116.8 | 170.9 | -151.5 | 0 | 0 | 0 | 0 | 108.8 | Y850 | S848-Y850 PolarHBondContact O-N 3.07Å; S848-Y850 WeakPolarHBondContact OG-CD2 3.39Å |
| 849 | T | 46.8 | Very low | 59 | Low | 128 Ų | 128 | 103.4 Ų | 103.4 | 79% | 0.785 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -72.3 | 19.7 | -175.7 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | R847 | R847-T849 PolarHBondContact O-N 2.9Š|
| 850 | Y | 39.6 | Very low | 55.9 | Low | 123 Ų | 123 | 104.9 Ų | 104.9 | 48% | 0.482 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -89.3 | -3.9 | -166.8 | -73.6 | -102.7 | 0 | 0 | 0 | 114.8 | G528 S848 | G528-Y850 VanDerWaalsContact C-OH 3.26Å; G528-Y850 WeakPolarHBondContact CA-OH 3.38Å; G528-Y850 WeakPolarHBondContact O-CE1 3.45Å; G528-Y850 PolarHBondContact O-OH 3.23Å; G528-Y850 VanDerWaalsContact O-OH 3.05Å; S848-Y850 PolarHBondContact O-N 3.07Å; S848-Y850 WeakPolarHBondContact OG-CD2 3.39Å |
| 851 | N | 34 | Very low | 52.7 | Low | 148 Ų | 148 | 112.7 Ų | 112.7 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -113.6 | -0.5 | -173 | -73.8 | 0.9 | 0 | 0 | 0 | 115.2 | T853 | N851-T853 PolarHBondContact O-N 3.23Š|
| 852 | E | 32.6 | Very low | 49.7 | Very low | 189 Ų | 189 | 116.6 Ų | 116.6 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | trans | -86.8 | 60.3 | 177.1 | -71.2 | -169.7 | 177.6 | 0 | 0 | 112.6 | ||||
| 853 | T | 33.5 | Very low | 46.7 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 78% | 0.779 | 63% | 0.625 | S | S | * | * | trans | -131.3 | 61.7 | 159.1 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | N851 | N851-T853 PolarHBondContact O-N 3.23Š| ||
| 854 | D | 32.7 | Very low | 43.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | trans | -105.9 | 104.7 | 162.7 | -167.3 | -17.2 | 0 | 0 | 0 | 109.5 | N856 | D854-N856 PolarHBondContact O-N 3.08Å; D854-N856 PolarHBondContact OD1-N 2.92Å | ||
| 855 | P | 44.7 | Very low | 41 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 2.7 | -175.5 | -20.2 | 33.8 | 0 | 0 | 0 | 115.7 | ||
| 856 | N | 39.2 | Very low | 38.1 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 4.5 | -166 | -76.8 | -50.2 | 0 | 0 | 0 | 117 | D854 R858 | D854-N856 PolarHBondContact O-N 3.08Å; D854-N856 PolarHBondContact OD1-N 2.92Å; N856-R858 PolarHBondContact O-N 3.37Å |
| 857 | C | 30.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -72.8 | 71.3 | 167.8 | -77.4 | 0 | 0 | 0 | 0 | 111.6 | T859 | C857-T859 PolarHBondContact O-N 2.85Š| ||
| 858 | R | 30.9 | Very low | 33.8 | Very low | 230 Ų | 230 | 130.2 Ų | 130.2 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | trans | -57.7 | 129.4 | 169.8 | -76.7 | -178 | 171 | 179.8 | -2.9 | 109.7 | N856 G860 | N856-R858 PolarHBondContact O-N 3.37Å; R858-G860 PolarHBondContact O-N 2.9Å | ||
| 859 | T | 33.3 | Very low | 32.7 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -63.5 | 100.8 | -173.1 | 38.4 | 0 | 0 | 0 | 0 | 112.5 | C857 H861 | C857-T859 PolarHBondContact O-N 2.85Å; T859-H861 PolarHBondContact O-N 2.86Å | ||
| 860 | G | 30.1 | Very low | 32 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | -67.7 | 98.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R858 H862 | R858-G860 PolarHBondContact O-N 2.9Å; G860-H862 PolarHBondContact O-N 2.78Å | ||
| 861 | H | 27.6 | Very low | 31.6 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -59.7 | 102.3 | 173.7 | -107.3 | -97.6 | 0 | 0 | 0 | 110.8 | T859 | T859-H861 PolarHBondContact O-N 2.86Š| ||
| 862 | H | 31.4 | Very low | 31.4 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -120.7 | 98.6 | 160 | -78.9 | -64.8 | 0 | 0 | 0 | 109.8 | G860 | G860-H862 PolarHBondContact O-N 2.78Š| ||
| 863 | S | 26.6 | Very low | 31.4 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -55.1 | 145.1 | 166 | -45 | 0 | 0 | 0 | 0 | 111 | ||||
| 864 | L | 29.6 | Very low | 31.5 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | trans | -172.1 | 141.5 | 142.1 | -105.4 | 164.9 | 0 | 0 | 0 | 111.1 | ||||
| 865 | G | 28.1 | Very low | 31.4 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | 78.6 | 105.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 866 | S | 26.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -77.5 | 170.5 | 159.9 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 867 | D | 27.9 | Very low | 30.3 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | 64.8 | 92 | 160.9 | -72.2 | -16 | 0 | 0 | 0 | 119 | ||||
| 868 | S | 32.1 | Very low | 30.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | -153 | 116.1 | 118.4 | -3.7 | 0 | 0 | 0 | 0 | 109.5 | D870 | S868-D870 PolarHBondContact O-N 2.91Š| |||
| 869 | T | 29.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -80.6 | 91.8 | 171.3 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 870 | D | 32.2 | Very low | 31.2 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -114.6 | 102.2 | 166.3 | -88.6 | -39.4 | 0 | 0 | 0 | 110.3 | S868 N872 | S868-D870 PolarHBondContact O-N 2.91Å; D870-N872 PolarHBondContact O-N 2.91Å | ||
| 871 | D | 29.6 | Very low | 32.2 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -79.7 | 82.2 | -173.3 | -161.8 | 6.5 | 0 | 0 | 0 | 110.4 | ||||
| 872 | N | 30 | Very low | 33.8 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | trans | -128.3 | 34.4 | -173.3 | -109 | -37.5 | 0 | 0 | 0 | 113.3 | D870 V874 | D870-N872 PolarHBondContact O-N 2.91Å; N872-V874 PolarHBondContact O-N 3.47Å | ||
| 873 | T | 33.9 | Very low | 36 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -7.2 | -175.8 | 51.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 874 | V | 33.8 | Very low | 38.8 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -21.4 | -176.4 | -175.3 | 0 | 0 | 0 | 0 | 113.5 | N872 N876 | N872-V874 PolarHBondContact O-N 3.47Å; V874-N876 PolarHBondContact O-N 3.34Å |
| 875 | L | 31 | Very low | 41.6 | Very low | 141 Ų | 141 | 114.8 Ų | 114.8 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 10.4 | -172.8 | -147.5 | 74.4 | 0 | 0 | 0 | 115.7 | ||
| 876 | N | 29.6 | Very low | 44.5 | Very low | 111 Ų | 111 | 112.2 Ų | 112.2 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 4.4 | -178.4 | -81.7 | -27.5 | 0 | 0 | 0 | 115.3 | V874 W878 T879 | V874-N876 PolarHBondContact O-N 3.34Å; N876-W878 VanDerWaalsContact C-N 3.29Å; N876-W878 PolarHBondContact O-N 2.96Å; N876-T879 PolarHBondContact O-OG1 3.27Å; N876-T879 VanDerWaalsContact O-OG1 3.06Å |
| 877 | Q | 32.3 | Very low | 47.6 | Very low | 159 Ų | 159 | 107.7 Ų | 107.7 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -12.9 | 179.6 | -158.7 | 165.3 | 18.1 | 0 | 0 | 114.1 | L880 | Q877-L880 HydrophobicContact CG-CD1 4.35Å; Q877-L880 VanDerWaalsContact O-CD1 3.26Å; Q877-L880 WeakPolarHBondContact O-CD1 3.13Å |
| 878 | W | 30.1 | Very low | 50.5 | Low | 225 Ų | 225 | 101.2 Ų | 101.2 | 85% | 0.852 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -3.4 | -179.5 | -66 | 91.7 | 0 | 0 | 0 | 114.6 | N876 | N876-W878 VanDerWaalsContact C-N 3.29Å; N876-W878 PolarHBondContact O-N 2.96Å |
| 879 | T | 36.4 | Very low | 52.9 | Low | 103 Ų | 103 | 100.4 Ų | 100.4 | 63% | 0.632 | 54% | 0.537 | S | S | * | . | trans | -95.8 | 3.8 | 176.6 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | N876 H881 | N876-T879 PolarHBondContact O-OG1 3.27Å; N876-T879 VanDerWaalsContact O-OG1 3.06Å; T879-H881 PolarHBondContact O-N 3.49Å | ||
| 880 | L | 46.9 | Very low | 55 | Low | 126 Ų | 126 | 98.2 Ų | 98.2 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 127.3 | 172.3 | -80.6 | 89.1 | 0 | 0 | 0 | 110.6 | Q877 | Q877-L880 HydrophobicContact CG-CD1 4.35Å; Q877-L880 VanDerWaalsContact O-CD1 3.26Å; Q877-L880 WeakPolarHBondContact O-CD1 3.13Å |
| 881 | H | 51.5 | Low | 56.1 | Low | 110 Ų | 110 | 95 Ų | 95 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 142.8 | 164.8 | -78.1 | -98.1 | 0 | 0 | 0 | 109.5 | S845 V846 T879 S883 | S845-H881 PolarHBondContact OG-CE1 3.16Å; S845-H881 VanDerWaalsContact OG-CE1 3.29Å; S845-H881 PolarHBondContact OG-ND1 3.33Å; V846-H881 HydrophobicContact CG2-CB 4.32Å; T879-H881 PolarHBondContact O-N 3.49Å; H881-S883 PolarHBondContact O-N 2.93Å |
| 882 | P | 61.4 | Low | 56.6 | Low | 27 Ų | 27 | 93.4 Ų | 93.4 | 18% | 0.175 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 125.5 | 178 | 24.6 | -32.8 | 0 | 0 | 0 | 109.7 | F839 K842 V846 | F839-P882 HydrophobicContact CE2-CB 4.16Å; F839-P882 HydrophobicContact CE2-CG 4.41Å; F839-P882 HydrophobicContact CZ-CB 4.23Å; F839-P882 HydrophobicContact CZ-CG 4.42Å; K842-P882 HydrophobicContact CB-CG 4.14Å; V846-P882 HydrophobicContact CG2-CG 4.05Å; V846-P882 WeakPolarHBondContact CG2-O 3.19Å |
| 883 | S | 76 | Confident | 56.6 | Low | 108 Ų | 108 | 93 Ų | 93 | 76% | 0.755 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 139.7 | 169.3 | 46 | 0 | 0 | 0 | 0 | 109.5 | H881 S885 | H881-S883 PolarHBondContact O-N 2.93Å; S883-S885 PolarHBondContact O-N 2.73Å |
| 884 | L | 85.4 | Confident | 56.4 | Low | 60 Ų | 60 | 94.7 Ų | 94.7 | 31% | 0.314 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 122.9 | 176.4 | -66 | 176.1 | 0 | 0 | 0 | 109.4 | A741 K742 V846 | A741-L884 HydrophobicContact CB-CD1 4.34Å; K742-L884 HydrophobicContact CG-CD2 3.85Å; V846-L884 HydrophobicContact CG1-CD2 4.25Å; V846-L884 HydrophobicContact CG1-CG 4.18Å |
| 885 | S | 88.1 | Confident | 56.1 | Low | 11 Ų | 11 | 91.7 Ų | 91.7 | 8% | 0.077 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 137.8 | 175 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | T745 E748 S883 | T745-S885 WeakPolarHBondContact CA-OG 3.28Å; T745-S885 WeakPolarHBondContact CB-OG 3.1Å; T745-S885 PolarHBondContact N-OG 3.39Å; T745-S885 PolarHBondContact OG1-N 2.89Å; T745-S885 VanDerWaalsContact OG1-N 3.15Å; T745-S885 PolarHBondContact OG1-OG 3.24Å; T745-S885 VanDerWaalsContact OG1-OG 3.05Å; E748-S885 WeakPolarHBondContact OE2-CB 3.47Å; S883-S885 PolarHBondContact O-N 2.73Å |
| 886 | P | 89.9 | Confident | 55.9 | Low | 19 Ų | 19 | 88.5 Ų | 88.5 | 12% | 0.123 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 145.6 | 173.1 | 29 | -33.3 | 0 | 0 | 0 | 111.3 | I516 E517 L525 W744 | I516-P886 WeakPolarHBondContact CD1-O 3.19Å; I516-P886 HydrophobicContact CG2-CG 3.96Å; E517-P886 HydrophobicContact CG-CG 3.76Å; L525-P886 HydrophobicContact CB-CB 4.09Å; L525-P886 HydrophobicContact CD1-CB 4.2Å; L525-P886 HydrophobicContact CD1-CG 3.84Å; L525-P886 HydrophobicContact CD2-CB 4.27Å; L525-P886 HydrophobicContact CD2-CG 4.39Å; L525-P886 HydrophobicContact CG-CB 4.42Å; W744-P886 PolarHBondContact NE1-O 3.46Å |
| 887 | M | 91.6 | Very high | 55.9 | Low | 10 Ų | 10 | 89.8 Ų | 89.8 | 5% | 0.049 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 153.5 | 173.8 | -81.9 | -165.9 | 80.7 | 0 | 0 | 111.9 | L525 D526 L726 R727 M740 W744 M889 | L525-M887 WeakPolarHBondContact CA-O 3.22Å; D526-M887 HydrophobicContact CB-CB 4.33Å; D526-M887 WeakPolarHBondContact CB-O 3.22Å; D526-M887 PolarHBondContact N-O 2.89Å; L726-M887 HydrophobicContact CD2-CE 4.03Å; R727-M887 HydrophobicContact CG-CE 4.08Å; M740-M887 HydrophobicContact CE-SD 3.87Å; M740-M887 HydrophobicContact CG-SD 3.96Å; M740-M887 HydrophobicContact SD-CE 4.47Å; M740-M887 HydrophobicContact SD-SD 4.13Å; W744-M887 HydrophobicContact CB-CG 3.84Å; W744-M887 HydrophobicContact CB-SD 4.03Å; W744-M887 HydrophobicContact CD2-CE 4.11Å; W744-M887 HydrophobicContact CD2-CG 3.79Å; W744-M887 HydrophobicContact CD2-SD 4.45Å; W744-M887 HydrophobicContact CE3-CE 4.02Å; W744-M887 HydrophobicContact CG-CE 4.32Å; W744-M887 HydrophobicContact CG-CG 3.33Å; W744-M887 HydrophobicContact CG-SD 4.06Å; M887-M889 PolarHBondContact O-N 3.49Å |
| 888 | P | 89.5 | Confident | 55.7 | Low | 8 Ų | 8 | 87.1 Ų | 87.1 | 5% | 0.052 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 135.8 | 164.7 | -18.6 | 31.9 | 0 | 0 | 0 | 110.6 | I516 I520 R727 W744 | I516-P888 VanDerWaalsContact CD1-CD 3.47Å; I516-P888 HydrophobicContact CD1-CG 3.64Å; I520-P888 HydrophobicContact CD1-CB 4.12Å; I520-P888 HydrophobicContact CD1-CG 3.86Å; R727-P888 PolarHBondContact NH2-O 3.34Å; W744-P888 HydrophobicContact CZ2-CG 4.3Å |
| 889 | M | 82.5 | Confident | 55.7 | Low | 97 Ų | 97 | 80 Ų | 80 | 48% | 0.478 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 139.4 | 172.8 | -71.2 | -172.3 | 78.1 | 0 | 0 | 111.5 | K524 D526 M887 V891 | K524-M889 WeakPolarHBondContact O-CG 3.1Å; K524-M889 PolarHBondContact O-N 3.38Å; D526-M889 HydrophobicContact CB-CG 4.04Å; M887-M889 PolarHBondContact O-N 3.49Å; M889-V891 PolarHBondContact O-N 2.87Å |
| 890 | L | 74.1 | Confident | 55.3 | Low | 91 Ų | 91 | 78.8 Ų | 78.8 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | trans | -83.6 | 102.7 | 172.3 | -175.2 | 69.6 | 0 | 0 | 0 | 109.8 | L724 N892 | L724-L890 HydrophobicContact CD2-CD1 3.51Å; L890-N892 PolarHBondContact O-N 3.35Å | ||
| 891 | V | 54.6 | Low | 54.5 | Low | 73 Ų | 73 | 76.4 Ų | 76.4 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | trans | -79 | 92.5 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | M889 N893 | M889-V891 PolarHBondContact O-N 2.87Å; V891-N893 PolarHBondContact O-N 3.46Å | ||
| 892 | N | 40.4 | Very low | 53.4 | Low | 113 Ų | 113 | 78.6 Ų | 78.6 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | trans | -69.6 | 97 | 167.6 | -84.3 | -14.8 | 0 | 0 | 0 | 110.2 | L890 L894 A895 | L890-N892 PolarHBondContact O-N 3.35Å; N892-L894 PolarHBondContact O-N 2.83Å; N892-A895 PolarHBondContact O-N 3.39Å | ||
| 893 | N | 30.1 | Very low | 51.8 | Low | 112 Ų | 112 | 84.5 Ų | 84.5 | 60% | 0.599 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 14.5 | 178.3 | -78.4 | -30.6 | 0 | 0 | 0 | 115.9 | V891 | V891-N893 PolarHBondContact O-N 3.46Š|
| 894 | L | 29 | Very low | 49.3 | Very low | 155 Ų | 155 | 85.9 Ų | 85.9 | 81% | 0.812 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -22.1 | 174.3 | -73 | 163.1 | 0 | 0 | 0 | 113.1 | N892 | N892-L894 PolarHBondContact O-N 2.83Š|
| 895 | A | 27.3 | Very low | 46.4 | Very low | 67 Ų | 67 | 86.8 Ų | 86.8 | 55% | 0.554 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -85.6 | -21.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N892 N897 T898 | N892-A895 PolarHBondContact O-N 3.39Å; A895-N897 PolarHBondContact O-N 2.84Å; A895-T898 PolarHBondContact O-N 3.08Å; A895-T898 PolarHBondContact O-OG1 3.11Å; A895-T898 VanDerWaalsContact O-OG1 3.11Å |
| 896 | S | 26.9 | Very low | 43.3 | Very low | 74 Ų | 74 | 95 Ų | 95 | 52% | 0.517 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.6 | -20.6 | -176.8 | 37.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 897 | N | 28.8 | Very low | 40.3 | Very low | 137 Ų | 137 | 101.1 Ų | 101.1 | 73% | 0.733 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.2 | -16.5 | -179.5 | -75.6 | -8.5 | 0 | 0 | 0 | 114.6 | A895 | A895-N897 PolarHBondContact O-N 2.84Å |
| 898 | T | 29.1 | Very low | 37.6 | Very low | 103 Ų | 103 | 106.9 Ų | 106.9 | 63% | 0.632 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -90.9 | -29.4 | -179.2 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | A895 A901 | A895-T898 PolarHBondContact O-N 3.08Å; A895-T898 PolarHBondContact O-OG1 3.11Å; A895-T898 VanDerWaalsContact O-OG1 3.11Å; T898-A901 PolarHBondContact O-N 3.31Å |
| 899 | A | 29.2 | Very low | 34.6 | Very low | 75 Ų | 75 | 110 Ų | 110 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.8 | -34.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A901 | A899-A901 PolarHBondContact O-N 3.49Å |
| 900 | A | 29.8 | Very low | 31.9 | Very low | 79 Ų | 79 | 111.7 Ų | 111.7 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -68.3 | -20.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L902 | A900-L902 PolarHBondContact O-N 3.13Š|
| 901 | A | 29.4 | Very low | 29.6 | Very low | 76 Ų | 76 | 114.3 Ų | 114.3 | 63% | 0.628 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -79.1 | -13.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T898 A899 | T898-A901 PolarHBondContact O-N 3.31Å; A899-A901 PolarHBondContact O-N 3.49Å |
| 902 | L | 27.3 | Very low | 28.4 | Very low | 156 Ų | 156 | 116 Ų | 116 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -94.6 | 1.5 | -174.5 | -69.5 | 178.2 | 0 | 0 | 0 | 115 | A900 | A900-L902 PolarHBondContact O-N 3.13Š|
| 903 | N | 27.9 | Very low | 27.8 | Very low | 150 Ų | 150 | 113.2 Ų | 113.2 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -112.3 | 16.6 | -173.9 | -120.7 | 2 | 0 | 0 | 0 | 115.3 | ||
| 904 | L | 24.7 | Very low | 27.9 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | trans | -120.1 | 91.2 | 168.8 | -70.3 | 176.1 | 0 | 0 | 0 | 109.6 | F906 | L904-F906 HydrophobicContact CB-CD2 4.33Å; L904-F906 PolarHBondContact O-N 2.83Å; L904-F906 VanDerWaalsContact O-N 3.13Å | ||
| 905 | G | 23.1 | Very low | 28.3 | Very low | 79 Ų | 79 | 114 Ų | 114 | 81% | 0.814 | 72% | 0.717 | S | S | * | * | trans | -65.4 | 108.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 906 | F | 24.8 | Very low | 28.9 | Very low | 183 Ų | 183 | 117.9 Ų | 117.9 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | trans | -134.6 | 144.4 | 168.5 | -80.4 | -77.4 | 0 | 0 | 0 | 109.9 | L904 | L904-F906 HydrophobicContact CB-CD2 4.33Å; L904-F906 PolarHBondContact O-N 2.83Å; L904-F906 VanDerWaalsContact O-N 3.13Å | ||
| 907 | D | 25.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -58.1 | 148.5 | -169.9 | -83.7 | -61.6 | 0 | 0 | 0 | 114.3 | A909 | D907-A909 VanDerWaalsContact C-N 3.27Å; D907-A909 PolarHBondContact O-N 3.25Å | ||
| 908 | P | 34.7 | Very low | 31 | Very low | 130 Ų | 130 | 118.6 Ų | 118.6 | 84% | 0.844 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -77.8 | 70.4 | -175.4 | 33.9 | -37 | 0 | 0 | 0 | 112.3 | ||
| 909 | A | 26.6 | Very low | 32 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 60% | 0.603 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -139.4 | 129.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | D907 | D907-A909 VanDerWaalsContact C-N 3.27Å; D907-A909 PolarHBondContact O-N 3.25Å |
| 910 | T | 26.4 | Very low | 33.3 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | trans | 70.9 | 58 | 176.8 | 67 | 0 | 0 | 0 | 0 | 117 | S912 | T910-S912 PolarHBondContact O-N 3.5Š| ||
| 911 | T | 26.2 | Very low | 34 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -68.3 | 72.1 | 161.6 | -3.8 | 0 | 0 | 0 | 0 | 111.9 | G913 | T911-G913 PolarHBondContact O-N 3.22Š| ||
| 912 | S | 28.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | -86.2 | 68 | 162.7 | 58.2 | 0 | 0 | 0 | 0 | 109.5 | T910 | T910-S912 PolarHBondContact O-N 3.5Š| ||
| 913 | G | 29.1 | Very low | 35.6 | Very low | 53 Ų | 53 | 121.8 Ų | 121.8 | 55% | 0.546 | 69% | 0.694 | S | S | . | * | trans | -64.1 | 144.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T911 I915 | T911-G913 PolarHBondContact O-N 3.22Å; G913-I915 PolarHBondContact O-N 3Å | ||
| 914 | D | 32.2 | Very low | 36.5 | Very low | 167 Ų | 167 | 120.7 Ų | 120.7 | 89% | 0.893 | 69% | 0.688 | S | S | * | * | trans | -47.2 | 105.1 | -171.2 | -75.5 | -58.6 | 0 | 0 | 0 | 113.6 | M916 | D914-M916 PolarHBondContact O-N 3.06Š| ||
| 915 | I | 36.9 | Very low | 37.4 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | trans | -73 | 102.1 | 179.8 | -59.5 | 174.9 | 0 | 0 | 0 | 108.1 | G913 Q917 | G913-I915 PolarHBondContact O-N 3Å; I915-Q917 PolarHBondContact O-N 3.04Å; I915-Q917 VanDerWaalsContact O-N 3.16Å | ||
| 916 | M | 38.9 | Very low | 38.7 | Very low | 150 Ų | 150 | 121.2 Ų | 121.2 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -54 | 121.6 | 174.5 | -82.9 | -144.3 | 156.3 | 0 | 0 | 111.2 | D914 | D914-M916 PolarHBondContact O-N 3.06Š|
| 917 | Q | 48.1 | Very low | 40 | Very low | 188 Ų | 188 | 115 Ų | 115 | 88% | 0.879 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 142.4 | -177.3 | -63.3 | -177.5 | 5 | 0 | 0 | 111.6 | I915 R919 | I915-Q917 PolarHBondContact O-N 3.04Å; I915-Q917 VanDerWaalsContact O-N 3.16Å; Q917-R919 PolarHBondContact O-N 3.24Å |
| 918 | A | 52.3 | Low | 41.3 | Very low | 37 Ų | 37 | 109.6 Ų | 109.6 | 31% | 0.306 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 127.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F928 I929 | A918-F928 HydrophobicContact CB-CB 4.21Å; A918-I929 CarbonylContact C-O 3.59Å; A918-I929 VanDerWaalsContact CA-O 3.27Å; A918-I929 WeakPolarHBondContact CA-O 3.46Å; A918-I929 WeakPolarHBondContact CB-O 3.44Å |
| 919 | R | 50.1 | Low | 42 | Very low | 206 Ų | 206 | 106.8 Ų | 106.8 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.1 | -179.9 | -173.7 | -176.7 | -72.2 | -165.4 | -1.2 | 110.1 | Q917 F928 I929 | Q917-R919 PolarHBondContact O-N 3.24Å; R919-F928 WeakPolarHBondContact O-CA 3.44Å; R919-I929 PolarHBondContact N-O 3.12Å; R919-I929 PolarHBondContact O-N 2.79Å |
| 920 | R | 56.9 | Low | 43.2 | Very low | 102 Ų | 102 | 104 Ų | 104 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.8 | 131.4 | 171.3 | -163.8 | 176.6 | -178.2 | -158.8 | -8.2 | 110 | A922 S923 R925 F928 | R920-A922 PolarHBondContact NE-O 3.37Å; R920-A922 VanDerWaalsContact NE-O 3.13Å; R920-S923 PolarHBondContact NH1-O 3.08Å; R920-S923 PolarHBondContact NH2-O 2.57Å; R920-R925 PolarHBondContact NE-O 2.89Å; R920-R925 PolarHBondContact NH2-O 2.78Å; R920-F928 HydrophobicContact CB-CD1 3.74Å; R920-F928 HydrophobicContact CB-CE1 3.52Å; R920-F928 HydrophobicContact CB-CZ 4.17Å; R920-F928 HydrophobicContact CG-CD1 4.05Å; R920-F928 HydrophobicContact CG-CE1 3.62Å; R920-F928 HydrophobicContact CG-CE2 4.28Å; R920-F928 HydrophobicContact CG-CZ 3.73Å |
| 921 | L | 45.4 | Very low | 43.9 | Very low | 110 Ų | 110 | 102.5 Ų | 102.5 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -77.1 | -34.7 | -176.4 | -85.5 | 172.6 | 0 | 0 | 0 | 114.4 | I927 I929 | L921-I927 HydrophobicContact CD1-CG2 3.81Å; L921-I927 PolarHBondContact N-O 3.25Å; L921-I927 VanDerWaalsContact N-O 3.1Å; L921-I929 HydrophobicContact CD1-CD1 3.74Å; L921-I929 HydrophobicContact CD1-CG1 3.97Å; L921-I929 HydrophobicContact CD2-CD1 4.1Å; L921-I929 HydrophobicContact CG-CD1 4.11Å; L921-I929 HydrophobicContact CG-CG1 4.26Å |
| 922 | A | 43.4 | Very low | 45 | Very low | 32 Ų | 32 | 98 Ų | 98 | 26% | 0.264 | 53% | 0.525 | S | S | . | . | trans | -149.7 | 148.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R920 N924 R925 | R920-A922 PolarHBondContact NE-O 3.37Å; R920-A922 VanDerWaalsContact NE-O 3.13Å; A922-N924 WeakPolarHBondContact CB-OD1 3.36Å; A922-N924 PolarHBondContact O-N 3.3Å; A922-R925 HydrophobicContact CB-CB 4.29Å; A922-R925 HydrophobicContact CB-CG 4.44Å; A922-R925 PolarHBondContact O-N 3.39Å; A922-R925 VanDerWaalsContact O-O 3.11Å | ||
| 923 | S | 45.3 | Very low | 45.8 | Very low | 107 Ų | 107 | 101 Ų | 101 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -28.4 | -178.3 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | R920 | R920-S923 PolarHBondContact NH1-O 3.08Å; R920-S923 PolarHBondContact NH2-O 2.57Å |
| 924 | N | 46.6 | Very low | 46.6 | Very low | 127 Ų | 127 | 105.6 Ų | 105.6 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.7 | -179 | 60 | -2.3 | 0 | 0 | 0 | 114.6 | A922 | A922-N924 WeakPolarHBondContact CB-OD1 3.36Å; A922-N924 PolarHBondContact O-N 3.3Å |
| 925 | R | 44 | Very low | 47.1 | Very low | 132 Ų | 132 | 106.5 Ų | 106.5 | 50% | 0.498 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -111.5 | 144 | -178.3 | -61.5 | 179.7 | -172.5 | -149.2 | 1.7 | 111.7 | R920 A922 I927 E966 | R920-R925 PolarHBondContact NE-O 2.89Å; R920-R925 PolarHBondContact NH2-O 2.78Å; A922-R925 HydrophobicContact CB-CB 4.29Å; A922-R925 HydrophobicContact CB-CG 4.44Å; A922-R925 PolarHBondContact O-N 3.39Å; A922-R925 VanDerWaalsContact O-O 3.11Å; R925-I927 VanDerWaalsContact C-N 3.25Å; R925-I927 HydrophobicContact CB-CD1 4.26Å; R925-I927 HydrophobicContact CB-CG1 4.24Å; R925-I927 PolarHBondContact O-N 2.85Å; R925-E966 IonicContact NH1-OE1 3.56Å; R925-E966 PolarHBondContact NH1-OE1 3.34Å |
| 926 | N | 50.1 | Low | 47.4 | Very low | 95 Ų | 95 | 105.7 Ų | 105.7 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | trans | -92 | 46.6 | 178.7 | -82.8 | -21.2 | 0 | 0 | 0 | 112.2 | ||||
| 927 | I | 53.6 | Low | 47.2 | Very low | 54 Ų | 54 | 106.3 Ų | 106.3 | 28% | 0.277 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.2 | -175.1 | -56.3 | 177.2 | 0 | 0 | 0 | 108.6 | L921 R925 F945 | L921-I927 HydrophobicContact CD1-CG2 3.81Å; L921-I927 PolarHBondContact N-O 3.25Å; L921-I927 VanDerWaalsContact N-O 3.1Å; R925-I927 VanDerWaalsContact C-N 3.25Å; R925-I927 HydrophobicContact CB-CD1 4.26Å; R925-I927 HydrophobicContact CB-CG1 4.24Å; R925-I927 PolarHBondContact O-N 2.85Å; I927-F945 HydrophobicContact CG2-CD2 3.98Å; I927-F945 HydrophobicContact CG2-CE2 3.75Å |
| 928 | F | 51.5 | Low | 46.7 | Very low | 34 Ų | 34 | 102.1 Ų | 102.1 | 15% | 0.149 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.3 | -175.4 | -61.8 | -102.9 | 0 | 0 | 0 | 110.3 | A918 R919 R920 K942 I944 F945 | A918-F928 HydrophobicContact CB-CB 4.21Å; R919-F928 WeakPolarHBondContact O-CA 3.44Å; R920-F928 HydrophobicContact CB-CD1 3.74Å; R920-F928 HydrophobicContact CB-CE1 3.52Å; R920-F928 HydrophobicContact CB-CZ 4.17Å; R920-F928 HydrophobicContact CG-CD1 4.05Å; R920-F928 HydrophobicContact CG-CE1 3.62Å; R920-F928 HydrophobicContact CG-CE2 4.28Å; R920-F928 HydrophobicContact CG-CZ 3.73Å; F928-K942 HydrophobicContact CE2-CD 4.44Å; F928-K942 HydrophobicContact CE2-CG 4.48Å; F928-I944 WeakPolarHBondContact O-CA 3.24Å; F928-F945 PolarHBondContact O-N 3.48Å; F928-F945 VanDerWaalsContact O-N 3.14Å |
| 929 | I | 50.9 | Low | 46 | Very low | 71 Ų | 71 | 103.9 Ų | 103.9 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.9 | 175.4 | -67.5 | -176.3 | 0 | 0 | 0 | 109.3 | A918 R919 L921 F945 | A918-I929 CarbonylContact C-O 3.59Å; A918-I929 VanDerWaalsContact CA-O 3.27Å; A918-I929 WeakPolarHBondContact CA-O 3.46Å; A918-I929 WeakPolarHBondContact CB-O 3.44Å; R919-I929 PolarHBondContact N-O 3.12Å; R919-I929 PolarHBondContact O-N 2.79Å; L921-I929 HydrophobicContact CD1-CD1 3.74Å; L921-I929 HydrophobicContact CD1-CG1 3.97Å; L921-I929 HydrophobicContact CD2-CD1 4.1Å; L921-I929 HydrophobicContact CG-CD1 4.11Å; L921-I929 HydrophobicContact CG-CG1 4.26Å; I929-F945 HydrophobicContact CG1-CB 4.49Å |
| 930 | S | 50.1 | Low | 45.4 | Very low | 14 Ų | 14 | 100.6 Ų | 100.6 | 10% | 0.098 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | V932 F945 | S930-V932 PolarHBondContact O-N 3.47Å; S930-V932 PolarHBondContact OG-N 2.99Å; S930-V932 VanDerWaalsContact OG-N 3.16Å; S930-F945 PolarHBondContact N-O 2.89Å; S930-F945 VanDerWaalsContact N-O 3.17Å |
| 931 | P | 42.9 | Very low | 44.5 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 66% | 0.656 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -77 | -7.5 | 169.6 | 31.7 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 932 | V | 48.3 | Very low | 44.4 | Very low | 52 Ų | 52 | 103.6 Ų | 103.6 | 32% | 0.315 | 55% | 0.547 | S | S | . | . | trans | -102.2 | 125.8 | -171.6 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | S930 Q934 | S930-V932 PolarHBondContact O-N 3.47Å; S930-V932 PolarHBondContact OG-N 2.99Å; S930-V932 VanDerWaalsContact OG-N 3.16Å; V932-Q934 VanDerWaalsContact C-N 3.32Å; V932-Q934 HydrophobicContact CG1-CB 4.47Å; V932-Q934 PolarHBondContact O-N 2.9Å | ||
| 933 | K | 45.9 | Very low | 44.4 | Very low | 174 Ų | 174 | 106.1 Ų | 106.1 | 76% | 0.757 | 56% | 0.558 | S | S | * | * | trans | -68.1 | -17.1 | -177.2 | -91.2 | -174 | 175.2 | -175.6 | 0 | 116.2 | Q935 T946 | K933-Q935 PolarHBondContact O-N 3.22Å; K933-T946 HydrophobicContact CB-CG2 4.47Å; K933-T946 HydrophobicContact CG-CG2 3.79Å | ||
| 934 | Q | 44.8 | Very low | 44.4 | Very low | 149 Ų | 149 | 104.4 Ų | 104.4 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | trans | -71.2 | 114.8 | -172.9 | -90.6 | 168.8 | -37 | 0 | 0 | 111.6 | V932 V936 | V932-Q934 VanDerWaalsContact C-N 3.32Å; V932-Q934 HydrophobicContact CG1-CB 4.47Å; V932-Q934 PolarHBondContact O-N 2.9Å; Q934-V936 VanDerWaalsContact C-N 3.33Å; Q934-V936 PolarHBondContact O-N 3.2Å | ||
| 935 | Q | 43.4 | Very low | 44.3 | Very low | 186 Ų | 186 | 100.1 Ų | 100.1 | 87% | 0.869 | 52% | 0.515 | S | S | * | . | trans | -65.2 | 88.7 | 173.3 | -72.5 | -178.4 | -42.1 | 0 | 0 | 110.3 | K933 N937 | K933-Q935 PolarHBondContact O-N 3.22Å; Q935-N937 PolarHBondContact O-N 3.27Å | ||
| 936 | V | 42.4 | Very low | 44.5 | Very low | 98 Ų | 98 | 97.1 Ų | 97.1 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | trans | -68.9 | 114.8 | 163.8 | -174 | 0 | 0 | 0 | 0 | 107.1 | Q934 L938 | Q934-V936 VanDerWaalsContact C-N 3.33Å; Q934-V936 PolarHBondContact O-N 3.2Å; V936-L938 HydrophobicContact CB-CD1 4.42Å; V936-L938 HydrophobicContact CB-CG 4.46Å; V936-L938 HydrophobicContact CG1-CD1 4.34Å; V936-L938 HydrophobicContact CG1-CG 4.13Å; V936-L938 WeakPolarHBondContact O-CG 3.45Å; V936-L938 PolarHBondContact O-N 3.32Å | ||
| 937 | N | 36.3 | Very low | 44.1 | Very low | 164 Ų | 164 | 96.9 Ų | 96.9 | 88% | 0.877 | 51% | 0.514 | S | S | * | . | trans | -57.2 | 99.3 | 179.9 | -80.8 | -35.4 | 0 | 0 | 0 | 110.9 | Q935 | Q935-N937 PolarHBondContact O-N 3.27Š| ||
| 938 | L | 37.3 | Very low | 43.4 | Very low | 99 Ų | 99 | 95.5 Ų | 95.5 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | trans | -126 | 146.7 | -178.2 | -71.3 | 172.9 | 0 | 0 | 0 | 110.5 | V936 I944 | V936-L938 HydrophobicContact CB-CD1 4.42Å; V936-L938 HydrophobicContact CB-CG 4.46Å; V936-L938 HydrophobicContact CG1-CD1 4.34Å; V936-L938 HydrophobicContact CG1-CG 4.13Å; V936-L938 WeakPolarHBondContact O-CG 3.45Å; V936-L938 PolarHBondContact O-N 3.32Å; L938-I944 HydrophobicContact CD1-CD1 4.31Å | ||
| 939 | S | 36.7 | Very low | 42.9 | Very low | 75 Ų | 75 | 106.4 Ų | 106.4 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | trans | -43.6 | 140.1 | -171.1 | 179.7 | 0 | 0 | 0 | 0 | 114.6 | K941 K942 | S939-K941 PolarHBondContact O-N 3.22Å; S939-K942 PolarHBondContact O-N 2.86Å; S939-K942 VanDerWaalsContact O-N 3.1Å | ||
| 940 | P | 37.6 | Very low | 42.4 | Very low | 137 Ų | 137 | 106.3 Ų | 106.3 | 89% | 0.89 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 7.5 | -174.4 | 26.2 | -36.8 | 0 | 0 | 0 | 116.3 | ||
| 941 | K | 38.7 | Very low | 42.5 | Very low | 176 Ų | 176 | 109 Ų | 109 | 77% | 0.765 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 1.7 | 171.7 | -66.6 | -173.6 | 176.7 | -177.5 | 0 | 114.1 | S939 | S939-K941 PolarHBondContact O-N 3.22Š|
| 942 | K | 41.9 | Very low | 42.6 | Very low | 99 Ų | 99 | 106.1 Ų | 106.1 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | trans | -112.9 | 123.2 | 176.6 | -67.5 | -173.9 | 178 | -175.2 | 0 | 110.3 | F928 S939 | F928-K942 HydrophobicContact CE2-CD 4.44Å; F928-K942 HydrophobicContact CE2-CG 4.48Å; S939-K942 PolarHBondContact O-N 2.86Å; S939-K942 VanDerWaalsContact O-N 3.1Å | ||
| 943 | V | 43.3 | Very low | 42.4 | Very low | 84 Ų | 84 | 110.8 Ų | 110.8 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.4 | 170.6 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | F945 | V943-F945 HydrophobicContact CB-CE2 4.18Å; V943-F945 HydrophobicContact CG1-CD2 4.35Å; V943-F945 HydrophobicContact CG1-CE2 3.56Å; V943-F945 HydrophobicContact CG1-CZ 3.76Å |
| 944 | I | 46 | Very low | 42.5 | Very low | 71 Ų | 71 | 105.6 Ų | 105.6 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.2 | -177.1 | -59.3 | 175.7 | 0 | 0 | 0 | 108.3 | F928 L938 | F928-I944 WeakPolarHBondContact O-CA 3.24Å; L938-I944 HydrophobicContact CD1-CD1 4.31Å |
| 945 | F | 44.8 | Very low | 42.9 | Very low | 37 Ų | 37 | 101.7 Ų | 101.7 | 16% | 0.162 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.2 | -179.4 | -64.9 | -99 | 0 | 0 | 0 | 109.9 | I927 F928 I929 S930 V943 V958 | I927-F945 HydrophobicContact CG2-CD2 3.98Å; I927-F945 HydrophobicContact CG2-CE2 3.75Å; F928-F945 PolarHBondContact O-N 3.48Å; F928-F945 VanDerWaalsContact O-N 3.14Å; I929-F945 HydrophobicContact CG1-CB 4.49Å; S930-F945 PolarHBondContact N-O 2.89Å; S930-F945 VanDerWaalsContact N-O 3.17Å; V943-F945 HydrophobicContact CB-CE2 4.18Å; V943-F945 HydrophobicContact CG1-CD2 4.35Å; V943-F945 HydrophobicContact CG1-CE2 3.56Å; V943-F945 HydrophobicContact CG1-CZ 3.76Å; F945-V958 HydrophobicContact CD1-CG1 4.31Å; F945-V958 HydrophobicContact CD1-CG2 4.16Å; F945-V958 HydrophobicContact CE1-CG1 4.32Å |
| 946 | T | 48 | Very low | 43.2 | Very low | 69 Ų | 69 | 99.2 Ų | 99.2 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 108.3 | -177.9 | -51.6 | 0 | 0 | 0 | 0 | 109 | K933 | K933-T946 HydrophobicContact CB-CG2 4.47Å; K933-T946 HydrophobicContact CG-CG2 3.79Å |
| 947 | V | 41.8 | Very low | 43.6 | Very low | 90 Ų | 90 | 98.1 Ų | 98.1 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | trans | -86.9 | 114.9 | -176.7 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 948 | G | 38.7 | Very low | 44.3 | Very low | 26 Ų | 26 | 92.3 Ų | 92.3 | 27% | 0.268 | 49% | 0.493 | S | S | . | . | trans | -76.7 | 162 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S950 | G948-S950 PolarHBondContact O-N 3.23Š| ||
| 949 | R | 40.6 | Very low | 45.3 | Very low | 263 Ų | 263 | 92.2 Ų | 92.2 | 99% | 0.992 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -76.1 | 67.1 | 172.3 | -70.4 | -173.5 | 177 | -179 | -2.4 | 111.3 | ||
| 950 | S | 42 | Very low | 46.3 | Very low | 68 Ų | 68 | 94.1 Ų | 94.1 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | trans | -158.5 | 92.5 | 172.6 | 39.1 | 0 | 0 | 0 | 0 | 110.6 | G948 G952 D954 | G948-S950 PolarHBondContact O-N 3.23Å; S950-G952 PolarHBondContact O-N 3.23Å; S950-D954 PolarHBondContact OG-OD2 3.45Å | ||
| 951 | T | 51.7 | Low | 47 | Very low | 72 Ų | 72 | 92.3 Ų | 92.3 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 6.1 | -154.2 | 44.3 | 0 | 0 | 0 | 0 | 117.4 | L955 | T951-L955 VanDerWaalsContact O-CD1 3.31Å; T951-L955 WeakPolarHBondContact O-CD1 3.44Å |
| 952 | G | 44.8 | Very low | 47.7 | Very low | 39 Ų | 39 | 87 Ų | 87 | 40% | 0.402 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -72.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S950 D954 L955 Q956 | S950-G952 PolarHBondContact O-N 3.23Å; G952-D954 PolarHBondContact O-N 2.85Å; G952-L955 PolarHBondContact O-N 3.14Å; G952-Q956 PolarHBondContact O-N 3.09Å |
| 953 | K | 44.2 | Very low | 48.4 | Very low | 151 Ų | 151 | 84.8 Ų | 84.8 | 66% | 0.657 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | -172.4 | -167.3 | 177.4 | 179.8 | -178.9 | 0 | 112.9 | L955 Q956 D957 | K953-L955 PolarHBondContact O-N 2.91Å; K953-Q956 PolarHBondContact O-N 3.03Å; K953-Q956 VanDerWaalsContact O-N 3.13Å; K953-D957 PolarHBondContact O-N 2.88Å |
| 954 | D | 48.4 | Very low | 49.1 | Very low | 64 Ų | 64 | 82.5 Ų | 82.5 | 34% | 0.342 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.3 | -33.5 | 179.7 | -63.1 | -16 | 0 | 0 | 0 | 111.9 | S950 G952 V958 | S950-D954 PolarHBondContact OG-OD2 3.45Å; G952-D954 PolarHBondContact O-N 2.85Å; D954-V958 WeakPolarHBondContact O-CB 3.4Å; D954-V958 WeakPolarHBondContact O-CG2 3.49Å; D954-V958 PolarHBondContact O-N 3.11Å |
| 955 | L | 51.4 | Low | 49.3 | Very low | 68 Ų | 68 | 81.6 Ų | 81.6 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.5 | -38.1 | 175.8 | -69.4 | -177.3 | 0 | 0 | 0 | 112.6 | M8 T951 G952 K953 V958 N959 | M8-L955 HydrophobicContact CE-CD1 4.37Å; T951-L955 VanDerWaalsContact O-CD1 3.31Å; T951-L955 WeakPolarHBondContact O-CD1 3.44Å; G952-L955 PolarHBondContact O-N 3.14Å; K953-L955 PolarHBondContact O-N 2.91Å; L955-V958 PolarHBondContact O-N 3.03Å; L955-N959 WeakPolarHBondContact O-CB 3.42Å; L955-N959 VanDerWaalsContact O-CG 3.32Å; L955-N959 PolarHBondContact O-N 3.26Å |
| 956 | Q | 50.1 | Low | 49.8 | Very low | 134 Ų | 134 | 84.2 Ų | 84.2 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 173.6 | -71.2 | -176.4 | -10.4 | 0 | 0 | 111.6 | G952 K953 N959 L960 | G952-Q956 PolarHBondContact O-N 3.09Å; K953-Q956 PolarHBondContact O-N 3.03Å; K953-Q956 VanDerWaalsContact O-N 3.13Å; Q956-N959 PolarHBondContact O-N 2.87Å; Q956-L960 WeakPolarHBondContact O-CB 3.35Å; Q956-L960 WeakPolarHBondContact O-CG 3.22Å; Q956-L960 PolarHBondContact O-N 2.91Å |
| 957 | D | 52.5 | Low | 49.8 | Very low | 74 Ų | 74 | 89.2 Ų | 89.2 | 40% | 0.396 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.3 | -74.2 | -26.7 | 0 | 0 | 0 | 111.2 | K953 M961 | K953-D957 PolarHBondContact O-N 2.88Å; D957-M961 WeakPolarHBondContact O-CB 3.36Å; D957-M961 PolarHBondContact O-N 3.1Å |
| 958 | V | 50.8 | Low | 50 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 26% | 0.255 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 172 | 164.7 | 0 | 0 | 0 | 0 | 111.8 | F945 D954 L955 M961 I962 | F945-V958 HydrophobicContact CD1-CG1 4.31Å; F945-V958 HydrophobicContact CD1-CG2 4.16Å; F945-V958 HydrophobicContact CE1-CG1 4.32Å; D954-V958 WeakPolarHBondContact O-CB 3.4Å; D954-V958 WeakPolarHBondContact O-CG2 3.49Å; D954-V958 PolarHBondContact O-N 3.11Å; L955-V958 PolarHBondContact O-N 3.03Å; V958-M961 PolarHBondContact O-N 3.43Å; V958-I962 HydrophobicContact CG1-CD1 3.7Å; V958-I962 HydrophobicContact CG1-CG1 4.35Å; V958-I962 VanDerWaalsContact O-CG1 3.3Å; V958-I962 WeakPolarHBondContact O-CG1 3.35Å; V958-I962 PolarHBondContact O-N 3.06Å |
| 959 | N | 56.5 | Low | 50.4 | Low | 98 Ų | 98 | 94.2 Ų | 94.2 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 178.1 | -76.5 | -12.5 | 0 | 0 | 0 | 111.8 | L955 Q956 M961 I962 S963 | L955-N959 WeakPolarHBondContact O-CB 3.42Å; L955-N959 VanDerWaalsContact O-CG 3.32Å; L955-N959 PolarHBondContact O-N 3.26Å; Q956-N959 PolarHBondContact O-N 2.87Å; N959-M961 VanDerWaalsContact C-N 3.27Å; N959-M961 PolarHBondContact O-N 3Å; N959-I962 PolarHBondContact O-N 3.45Å; N959-S963 PolarHBondContact O-N 3.27Å; N959-S963 PolarHBondContact O-OG 3.29Å |
| 960 | L | 57.7 | Low | 50.6 | Low | 115 Ų | 115 | 85.1 Ų | 85.1 | 60% | 0.602 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.1 | -40.1 | 172.7 | -78.1 | 167.6 | 0 | 0 | 0 | 112 | Q956 S964 | Q956-L960 WeakPolarHBondContact O-CB 3.35Å; Q956-L960 WeakPolarHBondContact O-CG 3.22Å; Q956-L960 PolarHBondContact O-N 2.91Å; L960-S964 WeakPolarHBondContact O-CB 3.4Å; L960-S964 PolarHBondContact O-N 3.27Å |
| 961 | M | 52.4 | Low | 50.5 | Low | 99 Ų | 99 | 88.2 Ų | 88.2 | 49% | 0.488 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 179.9 | -159.9 | -174.1 | -41.7 | 0 | 0 | 111.9 | D957 V958 N959 S964 A965 | D957-M961 WeakPolarHBondContact O-CB 3.36Å; D957-M961 PolarHBondContact O-N 3.1Å; V958-M961 PolarHBondContact O-N 3.43Å; N959-M961 VanDerWaalsContact C-N 3.27Å; N959-M961 PolarHBondContact O-N 3Å; M961-S964 PolarHBondContact O-N 3.39Å; M961-S964 PolarHBondContact O-OG 3.03Å; M961-A965 WeakPolarHBondContact O-CB 3.34Å; M961-A965 PolarHBondContact O-N 2.83Å |
| 962 | I | 54.9 | Low | 50.1 | Low | 63 Ų | 63 | 87 Ų | 87 | 32% | 0.323 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.1 | -52.1 | 172.2 | -69.4 | 166.1 | 0 | 0 | 0 | 109.7 | V958 N959 S964 A965 E966 | V958-I962 HydrophobicContact CG1-CD1 3.7Å; V958-I962 HydrophobicContact CG1-CG1 4.35Å; V958-I962 VanDerWaalsContact O-CG1 3.3Å; V958-I962 WeakPolarHBondContact O-CG1 3.35Å; V958-I962 PolarHBondContact O-N 3.06Å; N959-I962 PolarHBondContact O-N 3.45Å; I962-S964 PolarHBondContact O-N 2.87Å; I962-A965 WeakPolarHBondContact O-CA 3.48Å; I962-A965 WeakPolarHBondContact O-CB 3.33Å; I962-A965 PolarHBondContact O-N 3.23Å; I962-E966 HydrophobicContact CG2-CG 4.39Å; I962-E966 PolarHBondContact O-N 3.44Å |
| 963 | S | 56.8 | Low | 49.8 | Very low | 53 Ų | 53 | 91.1 Ų | 91.1 | 37% | 0.371 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.5 | -33.4 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 113 | N959 R967 | N959-S963 PolarHBondContact O-N 3.27Å; N959-S963 PolarHBondContact O-OG 3.29Å; S963-R967 WeakPolarHBondContact O-CB 3.46Å; S963-R967 PolarHBondContact O-N 2.96Å; S963-R967 VanDerWaalsContact O-N 3.09Å |
| 964 | S | 57.8 | Low | 49.3 | Very low | 36 Ų | 36 | 90.1 Ų | 90.1 | 25% | 0.252 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.2 | -28.5 | 174.6 | 88.8 | 0 | 0 | 0 | 0 | 113.4 | L960 M961 I962 R968 | L960-S964 WeakPolarHBondContact O-CB 3.4Å; L960-S964 PolarHBondContact O-N 3.27Å; M961-S964 PolarHBondContact O-N 3.39Å; M961-S964 PolarHBondContact O-OG 3.03Å; I962-S964 PolarHBondContact O-N 2.87Å; S964-R968 WeakPolarHBondContact O-CB 3.17Å; S964-R968 WeakPolarHBondContact O-CG 3.37Å; S964-R968 PolarHBondContact O-N 3Å; S964-R968 PolarHBondContact O-NE 3.17Å; S964-R968 PolarHBondContact OG-NH2 3.43Å |
| 965 | A | 49.9 | Very low | 48.9 | Very low | 52 Ų | 52 | 92 Ų | 92 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.8 | -41.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | M961 I962 R968 A969 | M961-A965 WeakPolarHBondContact O-CB 3.34Å; M961-A965 PolarHBondContact O-N 2.83Å; I962-A965 WeakPolarHBondContact O-CA 3.48Å; I962-A965 WeakPolarHBondContact O-CB 3.33Å; I962-A965 PolarHBondContact O-N 3.23Å; A965-R968 PolarHBondContact O-N 3.14Å; A965-A969 WeakPolarHBondContact O-CB 3.33Å; A965-A969 PolarHBondContact O-N 2.87Å |
| 966 | E | 54.1 | Low | 48.1 | Very low | 92 Ų | 92 | 96.2 Ų | 96.2 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 173.4 | -69.6 | -177.7 | 152 | 0 | 0 | 111.2 | R925 I962 R968 A969 S970 | R925-E966 IonicContact NH1-OE1 3.56Å; R925-E966 PolarHBondContact NH1-OE1 3.34Å; I962-E966 HydrophobicContact CG2-CG 4.39Å; I962-E966 PolarHBondContact O-N 3.44Å; E966-R968 VanDerWaalsContact C-N 3.3Å; E966-R968 PolarHBondContact O-N 3.39Å; E966-A969 PolarHBondContact O-N 3.13Å; E966-S970 PolarHBondContact O-N 3.15Å; E966-S970 PolarHBondContact O-OG 3.08Å; E966-S970 VanDerWaalsContact O-OG 3.13Å |
| 967 | R | 48 | Very low | 47.2 | Very low | 175 Ų | 175 | 93 Ų | 93 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.8 | -41.2 | 170.1 | -102.5 | 179.4 | -85 | 176.4 | -11.3 | 112.9 | S963 M971 | S963-R967 WeakPolarHBondContact O-CB 3.46Å; S963-R967 PolarHBondContact O-N 2.96Å; S963-R967 VanDerWaalsContact O-N 3.09Å; R967-M971 WeakPolarHBondContact O-CB 3.41Å; R967-M971 WeakPolarHBondContact O-CG 3.14Å; R967-M971 PolarHBondContact O-N 3.06Å |
| 968 | R | 47.5 | Very low | 46 | Very low | 167 Ų | 167 | 95.9 Ų | 95.9 | 63% | 0.63 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.4 | -38.5 | 176.3 | -82.8 | 179.8 | -83.9 | -178.4 | -8.7 | 112.7 | S964 A965 E966 A972 | S964-R968 WeakPolarHBondContact O-CB 3.17Å; S964-R968 WeakPolarHBondContact O-CG 3.37Å; S964-R968 PolarHBondContact O-N 3Å; S964-R968 PolarHBondContact O-NE 3.17Å; S964-R968 PolarHBondContact OG-NH2 3.43Å; A965-R968 PolarHBondContact O-N 3.14Å; E966-R968 VanDerWaalsContact C-N 3.3Å; E966-R968 PolarHBondContact O-N 3.39Å; R968-A972 WeakPolarHBondContact O-CB 3.4Å; R968-A972 PolarHBondContact O-N 3.15Å |
| 969 | A | 47.1 | Very low | 45 | Very low | 54 Ų | 54 | 103.2 Ų | 103.2 | 45% | 0.446 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.6 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A965 E966 A972 N973 | A965-A969 WeakPolarHBondContact O-CB 3.33Å; A965-A969 PolarHBondContact O-N 2.87Å; E966-A969 PolarHBondContact O-N 3.13Å; A969-A972 PolarHBondContact O-N 3.26Å; A969-N973 PolarHBondContact O-N 3.46Å |
| 970 | S | 44.9 | Very low | 43.6 | Very low | 71 Ų | 71 | 109 Ų | 109 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.1 | -43.1 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | E966 A972 N973 L974 | E966-S970 PolarHBondContact O-N 3.15Å; E966-S970 PolarHBondContact O-OG 3.08Å; E966-S970 VanDerWaalsContact O-OG 3.13Å; S970-A972 VanDerWaalsContact C-N 3.31Å; S970-A972 PolarHBondContact O-N 3.16Å; S970-N973 PolarHBondContact O-N 3.46Å; S970-L974 WeakPolarHBondContact O-CG 3.44Å; S970-L974 PolarHBondContact O-N 3Å |
| 971 | M | 39.6 | Very low | 42.3 | Very low | 133 Ų | 133 | 109.5 Ų | 109.5 | 66% | 0.655 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.7 | -37.9 | 172.9 | -74.2 | -87.4 | -76.8 | 0 | 0 | 112.6 | R967 L974 T975 | R967-M971 WeakPolarHBondContact O-CB 3.41Å; R967-M971 WeakPolarHBondContact O-CG 3.14Å; R967-M971 PolarHBondContact O-N 3.06Å; M971-L974 PolarHBondContact O-N 3.05Å; M971-T975 PolarHBondContact O-N 2.77Å; M971-T975 PolarHBondContact O-OG1 2.87Å |
| 972 | A | 43.3 | Very low | 41.2 | Very low | 47 Ų | 47 | 110.2 Ų | 110.2 | 39% | 0.388 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.9 | -34.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R968 A969 S970 T975 M976 | R968-A972 WeakPolarHBondContact O-CB 3.4Å; R968-A972 PolarHBondContact O-N 3.15Å; A969-A972 PolarHBondContact O-N 3.26Å; S970-A972 VanDerWaalsContact C-N 3.31Å; S970-A972 PolarHBondContact O-N 3.16Å; A972-T975 PolarHBondContact O-OG1 2.83Å; A972-T975 VanDerWaalsContact O-OG1 3.1Å; A972-M976 VanDerWaalsContact O-CG 3.28Å; A972-M976 WeakPolarHBondContact O-CG 3.24Å; A972-M976 PolarHBondContact O-N 3.35Å |
| 973 | N | 37.5 | Very low | 40.1 | Very low | 126 Ų | 126 | 110.7 Ų | 110.7 | 67% | 0.674 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.4 | -35.4 | 174.2 | -76.5 | -10.8 | 0 | 0 | 0 | 112 | A969 S970 M976 | A969-N973 PolarHBondContact O-N 3.46Å; S970-N973 PolarHBondContact O-N 3.46Å; N973-M976 PolarHBondContact O-N 3.19Å |
| 974 | L | 33.2 | Very low | 38.6 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.5 | -36.6 | 175.2 | -71.4 | 170.5 | 0 | 0 | 0 | 112.9 | S970 M971 | S970-L974 WeakPolarHBondContact O-CG 3.44Å; S970-L974 PolarHBondContact O-N 3Å; M971-L974 PolarHBondContact O-N 3.05Å |
| 975 | T | 40.5 | Very low | 37.3 | Very low | 105 Ų | 105 | 116.1 Ų | 116.1 | 64% | 0.644 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.1 | -26 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | M971 A972 G977 | M971-T975 PolarHBondContact O-N 2.77Å; M971-T975 PolarHBondContact O-OG1 2.87Å; A972-T975 PolarHBondContact O-OG1 2.83Å; A972-T975 VanDerWaalsContact O-OG1 3.1Å; T975-G977 VanDerWaalsContact C-N 3.3Å; T975-G977 PolarHBondContact O-N 3.14Å |
| 976 | M | 34.4 | Very low | 36.1 | Very low | 156 Ų | 156 | 119.3 Ų | 119.3 | 77% | 0.768 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.3 | -16.2 | 176.3 | -69.3 | -68.4 | -74 | 0 | 0 | 113.9 | A972 N973 | A972-M976 VanDerWaalsContact O-CG 3.28Å; A972-M976 WeakPolarHBondContact O-CG 3.24Å; A972-M976 PolarHBondContact O-N 3.35Å; N973-M976 PolarHBondContact O-N 3.19Å |
| 977 | G | 32.7 | Very low | 35 | Very low | 65 Ų | 65 | 120.8 Ų | 120.8 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -20.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | T975 K979 | T975-G977 VanDerWaalsContact C-N 3.3Å; T975-G977 PolarHBondContact O-N 3.14Å; G977-K979 VanDerWaalsContact C-N 3.32Å; G977-K979 PolarHBondContact O-N 3.43Å |
| 978 | L | 27.4 | Very low | 33.9 | Very low | 136 Ų | 136 | 119 Ų | 119 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -93 | 46.7 | -173.1 | -82.9 | 161.7 | 0 | 0 | 0 | 113.7 | R980 | L978-R980 VanDerWaalsContact C-N 3.27Å; L978-R980 PolarHBondContact O-N 3.39Å | ||
| 979 | K | 29.2 | Very low | 32.9 | Very low | 196 Ų | 196 | 116.6 Ų | 116.6 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | trans | -76.9 | 75.8 | 172.5 | -165.1 | 174.2 | -176.9 | 179.4 | 0 | 110.8 | G977 | G977-K979 VanDerWaalsContact C-N 3.32Å; G977-K979 PolarHBondContact O-N 3.43Å | ||
| 980 | R | 27.2 | Very low | 31.9 | Very low | 219 Ų | 219 | 120 Ų | 120 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | trans | -55.1 | 139.1 | 175.5 | -79.5 | -176.2 | 173.4 | 176 | -1.8 | 111 | L978 | L978-R980 VanDerWaalsContact C-N 3.27Å; L978-R980 PolarHBondContact O-N 3.39Å | ||
| 981 | P | 30.6 | Very low | 31 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -63.8 | 149.2 | 175.9 | -16.2 | 29.1 | 0 | 0 | 0 | 111.6 | G983 | P981-G983 PolarHBondContact O-N 3.48Š| ||
| 982 | A | 28.2 | Very low | 30.4 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 93% | 0.934 | 76% | 0.763 | S | S | * | * | trans | -67.8 | 113.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 983 | G | 31.4 | Very low | 29.5 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -121.8 | 111.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P981 | P981-G983 PolarHBondContact O-N 3.48Š| ||
| 984 | S | 27 | Very low | 29 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -69 | 132.7 | 176.5 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 985 | G | 29.5 | Very low | 28.8 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 174.4 | 87.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T987 | G985-T987 PolarHBondContact O-N 3.32Š| ||
| 986 | S | 25.3 | Very low | 28.1 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 111.4 | 168.7 | 150.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 987 | T | 29.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -150.3 | 116.3 | 142.1 | -19.7 | 0 | 0 | 0 | 0 | 111.7 | G985 T989 | G985-T987 PolarHBondContact O-N 3.32Å; T987-T989 PolarHBondContact O-N 3.42Å | ||
| 988 | T | 24.9 | Very low | 27.5 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -74.9 | 113.2 | 170.2 | -37.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 989 | T | 28 | Very low | 27.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -133.1 | 111.6 | 166.9 | 24.5 | 0 | 0 | 0 | 0 | 111.4 | T987 | T987-T989 PolarHBondContact O-N 3.42Š| ||
| 990 | T | 24.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | trans | -49.6 | 132.5 | 165.7 | 43.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 991 | Y | 27.6 | Very low | 27.1 | Very low | 233 Ų | 233 | 127.6 Ų | 127.6 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -130.3 | 141.2 | 151.2 | -101.3 | -83.3 | 0 | 0 | 0 | 111.2 | ||||
| 992 | V | 27.2 | Very low | 26.7 | Very low | 133 Ų | 133 | 127 Ų | 127 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -90.5 | 149.3 | -163.4 | 174 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 993 | A | 24.5 | Very low | 26.7 | Very low | 86 Ų | 86 | 125.6 Ų | 125.6 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -60.7 | 137.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 994 | N | 25.2 | Very low | 26.3 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -170.2 | 103 | 151.4 | -106.2 | -15.5 | 0 | 0 | 0 | 111.8 | ||||
| 995 | S | 28.8 | Very low | 26.2 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -162.2 | 110.5 | 149.9 | 59.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 996 | S | 26.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.9 | -173.4 | -48 | 0 | 0 | 0 | 0 | 113 | ||
| 997 | P | 28.4 | Very low | 26 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 134.6 | -179.4 | 30.3 | -34.3 | 0 | 0 | 0 | 111.6 | T999 | P997-T999 PolarHBondContact O-N 2.82Š|
| 998 | F | 26.6 | Very low | 25.7 | Very low | 210 Ų | 210 | 134.2 Ų | 134.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 117.8 | 172.4 | -112.4 | -98.2 | 0 | 0 | 0 | 110.4 | ||
| 999 | T | 24.1 | Very low | 25.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -86.2 | 108.9 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 110 | P997 | P997-T999 PolarHBondContact O-N 2.82Š| ||
| 1000 | V | 26.4 | Very low | 25.5 | Very low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -86.3 | 118 | 168.5 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1001 | T | 24.3 | Very low | 25.5 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -79.5 | 142.4 | -175.4 | 37.3 | 0 | 0 | 0 | 0 | 112.8 | G1003 | T1001-G1003 PolarHBondContact O-N 3.2Š| ||
| 1002 | S | 23.2 | Very low | 25.3 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -71.2 | 111.3 | -173.5 | -44.9 | 0 | 0 | 0 | 0 | 113 | T1004 | S1002-T1004 PolarHBondContact O-N 3.28Š| ||
| 1003 | G | 27.1 | Very low | 25.2 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -77.8 | 111.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111 | T1001 | T1001-G1003 PolarHBondContact O-N 3.2Š| ||
| 1004 | T | 24.1 | Very low | 25.4 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -87.3 | 137.7 | 176.7 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | S1002 | S1002-T1004 PolarHBondContact O-N 3.28Š| ||
| 1005 | S | 25.2 | Very low | 25.6 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 167.1 | 150.9 | 130.6 | 49.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1006 | S | 26.2 | Very low | 25.5 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 70 | 73.9 | 164.9 | 69.7 | 0 | 0 | 0 | 0 | 118.9 | R1008 | S1006-R1008 PolarHBondContact O-N 3.05Š| ||
| 1007 | S | 24.4 | Very low | 25.6 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -54.4 | 120 | 157.4 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1008 | R | 23.5 | Very low | 25.6 | Very low | 235 Ų | 235 | 128.9 Ų | 128.9 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -91.6 | 103.5 | 165.3 | -76.5 | -174.7 | 174.9 | -177.5 | -1.2 | 109.7 | S1006 V1010 | S1006-R1008 PolarHBondContact O-N 3.05Å; R1008-V1010 PolarHBondContact O-N 3.38Å | ||
| 1009 | T | 25.2 | Very low | 25.7 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -67.3 | 117.1 | 172 | -53 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1010 | V | 23.5 | Very low | 25.8 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -92.3 | 107.1 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | R1008 L1012 | R1008-V1010 PolarHBondContact O-N 3.38Å; V1010-L1012 PolarHBondContact O-N 3.18Å | ||
| 1011 | T | 24.1 | Very low | 25.8 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 109 | 175.6 | -51.8 | 0 | 0 | 0 | 0 | 109.7 | V1013 | T1011-V1013 PolarHBondContact O-N 2.98Š| ||
| 1012 | L | 22.2 | Very low | 25.8 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -74.2 | 106.4 | 177.3 | -153.2 | 90.1 | 0 | 0 | 0 | 109.8 | V1010 | V1010-L1012 PolarHBondContact O-N 3.18Š| ||
| 1013 | V | 25.8 | Very low | 26 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -91 | 113.3 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | T1011 | T1011-V1013 PolarHBondContact O-N 2.98Š| ||
| 1014 | G | 28.4 | Very low | 26 | Very low | 52 Ų | 52 | 134.5 Ų | 134.5 | 54% | 0.536 | 78% | 0.778 | S | S | . | * | trans | -72.4 | 159.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1016 | G1014-G1016 PolarHBondContact O-N 3.43Š| ||
| 1015 | P | 30.5 | Very low | 26.1 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 106.5 | -175.5 | 30.9 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 1016 | G | 26 | Very low | 26.3 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -158 | 122.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1014 | G1014-G1016 PolarHBondContact O-N 3.43Š| ||
| 1017 | G | 29.4 | Very low | 26.5 | Very low | 66 Ų | 66 | 147.5 Ų | 147.5 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | 93.6 | 77.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1019 | G1017-T1019 VanDerWaalsContact C-N 3.3Å; G1017-T1019 PolarHBondContact O-N 3.14Å | ||
| 1018 | F | 27.2 | Very low | 26.6 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 97% | 0.965 | 81% | 0.81 | S | S | * | * | trans | -61.1 | 95.8 | 152.8 | -90.2 | -91.6 | 0 | 0 | 0 | 108.7 | ||||
| 1019 | T | 28.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -90.7 | 109.7 | 168.6 | 42 | 0 | 0 | 0 | 0 | 108.5 | G1017 K1021 | G1017-T1019 VanDerWaalsContact C-N 3.3Å; G1017-T1019 PolarHBondContact O-N 3.14Å; T1019-K1021 PolarHBondContact O-N 3.21Å | ||
| 1020 | T | 26 | Very low | 26.9 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | trans | -64.1 | 98.7 | -176 | -13.3 | 0 | 0 | 0 | 0 | 110.1 | R1022 | T1020-R1022 PolarHBondContact O-N 2.94Š| ||
| 1021 | K | 26.1 | Very low | 27.1 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -73.7 | 93.6 | 169 | -78.7 | -168.9 | 175.3 | -176.6 | 0 | 109.4 | T1019 I1023 | T1019-K1021 PolarHBondContact O-N 3.21Å; K1021-I1023 PolarHBondContact O-N 3.25Å | ||
| 1022 | R | 25.2 | Very low | 27.2 | Very low | 204 Ų | 204 | 148.6 Ų | 148.6 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -57.8 | 123.6 | 164.6 | -170.4 | -180 | -176.5 | 145.5 | 2.7 | 108.6 | T1020 D1024 | T1020-R1022 PolarHBondContact O-N 2.94Å; R1022-D1024 WeakPolarHBondContact CD-OD2 3.5Å; R1022-D1024 IonicContact CZ-OD1 2.89Å; R1022-D1024 IonicContact NE-OD1 3.98Å; R1022-D1024 PolarHBondContact NE-OD1 3.24Å; R1022-D1024 IonicContact NE-OD2 3.83Å; R1022-D1024 PolarHBondContact NE-OD2 2.96Å; R1022-D1024 IonicContact NH2-OD1 3.9Å | ||
| 1023 | I | 26.5 | Very low | 27.6 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | trans | -104.2 | 97.8 | 170.5 | -59.9 | 174.9 | 0 | 0 | 0 | 105.1 | K1021 F1025 | K1021-I1023 PolarHBondContact O-N 3.25Å; I1023-F1025 HydrophobicContact CG2-CD2 4.41Å; I1023-F1025 HydrophobicContact CG2-CE2 4.05Å; I1023-F1025 HydrophobicContact CG2-CZ 4.38Å | ||
| 1024 | D | 27.3 | Very low | 27.7 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 58% | 0.578 | 82% | 0.816 | S | S | * | * | trans | -80.3 | 131.1 | 171.9 | -64.3 | -58.5 | 0 | 0 | 0 | 108.3 | R1022 | R1022-D1024 WeakPolarHBondContact CD-OD2 3.5Å; R1022-D1024 IonicContact CZ-OD1 2.89Å; R1022-D1024 IonicContact NE-OD1 3.98Å; R1022-D1024 PolarHBondContact NE-OD1 3.24Å; R1022-D1024 IonicContact NE-OD2 3.83Å; R1022-D1024 PolarHBondContact NE-OD2 2.96Å; R1022-D1024 IonicContact NH2-OD1 3.9Å | ||
| 1025 | F | 26.8 | Very low | 27.7 | Very low | 188 Ų | 188 | 156.2 Ų | 156.2 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -98.5 | 105.1 | 174.6 | -75 | -94.1 | 0 | 0 | 0 | 108.3 | I1023 | I1023-F1025 HydrophobicContact CG2-CD2 4.41Å; I1023-F1025 HydrophobicContact CG2-CE2 4.05Å; I1023-F1025 HydrophobicContact CG2-CZ 4.38Å | ||
| 1026 | D | 30.4 | Very low | 27.4 | Very low | 161 Ų | 161 | 156.9 Ų | 156.9 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -75.2 | 145 | 161.3 | -76.4 | -40.9 | 0 | 0 | 0 | 109.7 | ||||
| 1027 | M | 29.8 | Very low | 27.6 | Very low | 268 Ų | 268 | 164.2 Ų | 164.2 | 100% | 1.32 | 83% | 0.831 | S | S | * | * | trans | -71.2 | 0 | -177 | -81 | -173.2 | 153.3 | 0 | 0 | 114 |
Retrieved 1,027 of 1,027 residues in 1039.1 ms
(Link to these results)