| 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 | 41.6 | Very low | 37.1 | Very low | 217 Ų | 217 | 160.5 Ų | 160.5 | 100% | 1.069 | 88% | 0.879 | S | S | * | * | 0 | 138.5 | 0 | -61.4 | 177.7 | 94.5 | 0 | 0 | 108.5 | |||||
| 2 | P | 44.6 | Very low | 37 | Very low | 130 Ų | 130 | 164.1 Ų | 164.1 | 84% | 0.844 | 88% | 0.88 | S | S | * | * | -99.3 | 138.7 | 127.2 | 32.4 | -26.7 | 0 | 0 | 0 | 108.3 | |||||
| 3 | P | 46.6 | Very low | 36.9 | Very low | 108 Ų | 108 | 168.4 Ų | 168.4 | 70% | 0.701 | 89% | 0.886 | S | S | * | * | trans | -110 | 157.8 | 154.5 | 31 | -18.2 | 0 | 0 | 0 | 112.1 | ||||
| 4 | K | 37.9 | Very low | 37.1 | Very low | 220 Ų | 220 | 167.1 Ų | 167.1 | 96% | 0.957 | 88% | 0.878 | S | S | * | * | trans | -71.5 | 160 | 178.8 | -69.5 | 168.7 | 168.5 | 171.6 | 0 | 114.2 | ||||
| 5 | G | 36.2 | Very low | 37.6 | Very low | 76 Ų | 76 | 159.7 Ų | 159.7 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | 146.5 | 144.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 6 | K | 36.4 | Very low | 38.6 | Very low | 219 Ų | 219 | 156 Ų | 156 | 95% | 0.952 | 83% | 0.83 | S | S | * | * | cis | -166.1 | 163.6 | 3.5 | -119.3 | 177.8 | -177.3 | 175.6 | 0 | 108.7 | ||||
| 7 | K | 32.6 | Very low | 39.2 | Very low | 216 Ų | 216 | 152.5 Ų | 152.5 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -75.1 | 161.4 | -176.7 | -73 | 172.4 | 166.9 | 176.4 | 0 | 116.1 | ||||
| 8 | G | 33.5 | Very low | 40.4 | Very low | 78 Ų | 78 | 148.6 Ų | 148.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 121.1 | 138.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 9 | K | 35.5 | Very low | 41.5 | Very low | 216 Ų | 216 | 145.9 Ų | 145.9 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | cis | -166 | 150.8 | 28.9 | -156.2 | 175.6 | -174 | 178 | 0 | 109.6 | ||||
| 10 | K | 31.9 | Very low | 42.8 | Very low | 212 Ų | 212 | 141.8 Ų | 141.8 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | trans | -82.8 | 144.9 | 175.5 | -81.7 | -179.3 | 172.6 | 178.5 | 0 | 112.4 | ||||
| 11 | G | 31.7 | Very low | 43.6 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | 128.8 | 104.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 12 | K | 35.4 | Very low | 44.5 | Very low | 203 Ų | 203 | 130.4 Ų | 130.4 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | 168 | 144.4 | 112.4 | -102.5 | 178.8 | 174.5 | 177.8 | 0 | 110 | L14 | K12-L14 PolarHBondContact O-N 3.26Š| |||
| 13 | K | 36.6 | Very low | 45.5 | Very low | 220 Ų | 220 | 125.3 Ų | 125.3 | 96% | 0.957 | 68% | 0.68 | S | S | * | * | trans | -56.1 | 113.5 | -174.2 | -68 | 179 | 175.9 | -178 | 0 | 111.3 | ||||
| 14 | L | 39.3 | Very low | 46.2 | Very low | 150 Ų | 150 | 124.7 Ų | 124.7 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -96.8 | 149.5 | 163.2 | -80.5 | 144.8 | 0 | 0 | 0 | 107.8 | K12 | K12-L14 PolarHBondContact O-N 3.26Š| ||
| 15 | P | 44.4 | Very low | 47.3 | Very low | 57 Ų | 57 | 118.5 Ų | 118.5 | 37% | 0.37 | 67% | 0.668 | S | S | . | * | trans | -54.4 | 149 | 175.8 | 20.7 | -27.5 | 0 | 0 | 0 | 110.1 | L17 D22 | P15-L17 VanDerWaalsContact C-N 3.27Å; P15-L17 HydrophobicContact CB-CD1 4.36Å; P15-L17 HydrophobicContact CG-CD1 3.87Å; P15-L17 VanDerWaalsContact O-CD1 3.28Å; P15-L17 WeakPolarHBondContact O-CD1 3.1Å; P15-L17 PolarHBondContact O-N 2.95Å; P15-D22 WeakPolarHBondContact CB-OD1 3.47Å; P15-D22 WeakPolarHBondContact CB-OD2 3.18Å; P15-D22 VanDerWaalsContact CG-OD2 3.27Å; P15-D22 WeakPolarHBondContact CG-OD2 3.06Å | ||
| 16 | V | 53.8 | Low | 48.5 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 61% | 0.606 | 65% | 0.645 | S | S | * | * | trans | -69.2 | 89.7 | -179.5 | 175.2 | 0 | 0 | 0 | 0 | 108 | I18 T23 | V16-I18 HydrophobicContact CG1-CD1 4.14Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; V16-I18 PolarHBondContact O-N 2.97Å; V16-T23 PolarHBondContact O-OG1 2.68Å | ||
| 17 | L | 49.3 | Very low | 49.9 | Very low | 96 Ų | 96 | 111.5 Ų | 111.5 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 108.2 | 167.2 | -86.5 | 79 | 0 | 0 | 0 | 107.6 | P15 V21 | P15-L17 VanDerWaalsContact C-N 3.27Å; P15-L17 HydrophobicContact CB-CD1 4.36Å; P15-L17 HydrophobicContact CG-CD1 3.87Å; P15-L17 VanDerWaalsContact O-CD1 3.28Å; P15-L17 WeakPolarHBondContact O-CD1 3.1Å; P15-L17 PolarHBondContact O-N 2.95Å; L17-V21 WeakPolarHBondContact CA-O 3.37Å |
| 18 | I | 60.7 | Low | 51.6 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 43% | 0.426 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.9 | 164.2 | -61.3 | 173.1 | 0 | 0 | 0 | 104.5 | V16 G20 V21 T23 F34 L38 | V16-I18 HydrophobicContact CG1-CD1 4.14Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; V16-I18 PolarHBondContact O-N 2.97Å; I18-G20 PolarHBondContact O-N 3.1Å; I18-V21 PolarHBondContact N-O 3.08Å; I18-V21 PolarHBondContact O-N 2.82Å; I18-T23 HydrophobicContact CB-CG2 4.5Å; I18-F34 HydrophobicContact CB-CE1 4.05Å; I18-F34 HydrophobicContact CG2-CE1 4.02Å; I18-F34 WeakPolarHBondContact O-CE1 3.08Å; I18-F34 WeakPolarHBondContact O-CZ 3.49Å; I18-L38 HydrophobicContact CG2-CD1 3.67Å |
| 19 | D | 61.7 | Low | 53.3 | Low | 98 Ų | 98 | 112 Ų | 112 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 46.6 | 49.3 | -177.2 | -157 | 37.5 | 0 | 0 | 0 | 115.4 | V21 F34 L38 | D19-V21 VanDerWaalsContact C-N 3.29Å; D19-V21 PolarHBondContact O-N 3.35Å; D19-F34 HydrophobicContact CB-CZ 3.97Å; D19-L38 HydrophobicContact CB-CD1 3.76Å; D19-L38 HydrophobicContact CB-CD2 4.08Å; D19-L38 HydrophobicContact CB-CG 4.05Å |
| 20 | G | 65.8 | Low | 54.9 | Low | 62 Ų | 62 | 106.3 Ų | 106.3 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.7 | -2.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | I18 | I18-G20 PolarHBondContact O-N 3.1Š|
| 21 | V | 60.4 | Low | 56.6 | Low | 50 Ų | 50 | 99.7 Ų | 99.7 | 30% | 0.303 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.2 | -176.9 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | L17 I18 D19 T23 M26 F34 | L17-V21 WeakPolarHBondContact CA-O 3.37Å; I18-V21 PolarHBondContact N-O 3.08Å; I18-V21 PolarHBondContact O-N 2.82Å; D19-V21 VanDerWaalsContact C-N 3.29Å; D19-V21 PolarHBondContact O-N 3.35Å; V21-T23 PolarHBondContact O-N 3.33Å; V21-M26 HydrophobicContact CG1-CE 3.64Å; V21-M26 HydrophobicContact CG1-SD 4.4Å; V21-F34 HydrophobicContact CB-CE1 4.49Å; V21-F34 HydrophobicContact CB-CE2 3.79Å; V21-F34 HydrophobicContact CB-CZ 3.76Å; V21-F34 HydrophobicContact CG1-CE2 4.41Å; V21-F34 HydrophobicContact CG2-CD2 4.41Å; V21-F34 HydrophobicContact CG2-CE2 3.49Å; V21-F34 VanDerWaalsContact CG2-CE2 3.49Å; V21-F34 HydrophobicContact CG2-CZ 3.8Å |
| 22 | D | 61.5 | Low | 58.5 | Low | 70 Ų | 70 | 100.8 Ų | 100.8 | 37% | 0.374 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 104 | 176.8 | -167.7 | -16.8 | 0 | 0 | 0 | 110.5 | P15 S24 | P15-D22 WeakPolarHBondContact CB-OD1 3.47Å; P15-D22 WeakPolarHBondContact CB-OD2 3.18Å; P15-D22 VanDerWaalsContact CG-OD2 3.27Å; P15-D22 WeakPolarHBondContact CG-OD2 3.06Å; D22-S24 VanDerWaalsContact C-N 3.25Å; D22-S24 PolarHBondContact O-N 3.38Å; D22-S24 WeakPolarHBondContact OD1-CB 3.26Å; D22-S24 PolarHBondContact OD1-N 3.31Å; D22-S24 PolarHBondContact OD1-OG 3.08Å |
| 23 | T | 63.7 | Low | 60.4 | Low | 23 Ų | 23 | 94 Ų | 94 | 14% | 0.141 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -77.2 | -6 | -174 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | V16 I18 V21 A25 M26 L31 | V16-T23 PolarHBondContact O-OG1 2.68Å; I18-T23 HydrophobicContact CB-CG2 4.5Å; V21-T23 PolarHBondContact O-N 3.33Å; T23-A25 VanDerWaalsContact C-N 3.33Å; T23-A25 PolarHBondContact O-N 3.19Å; T23-M26 PolarHBondContact O-N 3.4Å; T23-L31 HydrophobicContact CG2-CD2 3.9Å |
| 24 | S | 62.7 | Low | 62.2 | Low | 95 Ų | 95 | 84.9 Ų | 84.9 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -75.8 | -13.7 | -170.8 | 63.1 | 0 | 0 | 0 | 0 | 115.5 | D22 | D22-S24 VanDerWaalsContact C-N 3.25Å; D22-S24 PolarHBondContact O-N 3.38Å; D22-S24 WeakPolarHBondContact OD1-CB 3.26Å; D22-S24 PolarHBondContact OD1-N 3.31Å; D22-S24 PolarHBondContact OD1-OG 3.08Å |
| 25 | A | 60.1 | Low | 64 | Low | 91 Ų | 91 | 80.5 Ų | 80.5 | 75% | 0.752 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -112.8 | 5.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T23 | T23-A25 VanDerWaalsContact C-N 3.33Å; T23-A25 PolarHBondContact O-N 3.19Å |
| 26 | M | 62.2 | Low | 65.7 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 31% | 0.305 | 48% | 0.482 | S | S | . | . | trans | -87.3 | 134.5 | -176.1 | -77.5 | -167.8 | 163.6 | 0 | 0 | 112.1 | V21 T23 Q30 L31 | V21-M26 HydrophobicContact CG1-CE 3.64Å; V21-M26 HydrophobicContact CG1-SD 4.4Å; T23-M26 PolarHBondContact O-N 3.4Å; M26-Q30 HydrophobicContact CB-CB 3.85Å; M26-Q30 HydrophobicContact CG-CB 3.97Å; M26-Q30 HydrophobicContact SD-CB 4.01Å; M26-L31 HydrophobicContact CB-CG 4.04Å | ||
| 27 | T | 65.1 | Low | 67 | Low | 86 Ų | 86 | 86.6 Ų | 86.6 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | trans | -68.9 | 160.3 | 170 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | D29 Q30 L31 | T27-D29 PolarHBondContact O-N 3.23Å; T27-D29 VanDerWaalsContact O-N 3.12Å; T27-Q30 WeakPolarHBondContact O-CB 3.42Å; T27-Q30 PolarHBondContact O-N 3.17Å; T27-L31 PolarHBondContact O-N 3.3Å; T27-L31 VanDerWaalsContact O-N 3.13Å | ||
| 28 | R | 69 | Low | 68.4 | Low | 187 Ų | 187 | 84.4 Ų | 84.4 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -47.9 | -43.8 | -178.6 | 179.7 | -173.8 | 164.3 | -169.9 | -6.9 | 113 | Q30 L31 E32 | R28-Q30 VanDerWaalsContact C-N 3.32Å; R28-Q30 PolarHBondContact O-N 3.34Å; R28-L31 PolarHBondContact O-N 3.41Å; R28-E32 IonicContact CZ-OE1 3.56Å; R28-E32 IonicContact NE-OE1 3.09Å; R28-E32 PolarHBondContact NE-OE1 2.75Å; R28-E32 VanDerWaalsContact NE-OE1 3.09Å; R28-E32 IonicContact NH2-OE1 3.11Å; R28-E32 PolarHBondContact NH2-OE1 3.28Å; R28-E32 VanDerWaalsContact NH2-OE1 3.11Å; R28-E32 PolarHBondContact O-N 3.49Å |
| 29 | D | 68 | Low | 69.4 | Low | 118 Ų | 118 | 86.8 Ų | 86.8 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.3 | -33.8 | -179.1 | -61.7 | -12.5 | 0 | 0 | 0 | 112.5 | T27 E32 A33 | T27-D29 PolarHBondContact O-N 3.23Å; T27-D29 VanDerWaalsContact O-N 3.12Å; D29-E32 PolarHBondContact O-N 3.24Å; D29-A33 WeakPolarHBondContact O-CB 3.45Å; D29-A33 PolarHBondContact O-N 2.96Å |
| 30 | Q | 69 | Low | 70.4 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.8 | -35.2 | 177 | -69.8 | 176.7 | -14.5 | 0 | 0 | 112 | M26 T27 R28 F34 | M26-Q30 HydrophobicContact CB-CB 3.85Å; M26-Q30 HydrophobicContact CG-CB 3.97Å; M26-Q30 HydrophobicContact SD-CB 4.01Å; T27-Q30 WeakPolarHBondContact O-CB 3.42Å; T27-Q30 PolarHBondContact O-N 3.17Å; R28-Q30 VanDerWaalsContact C-N 3.32Å; R28-Q30 PolarHBondContact O-N 3.34Å; Q30-F34 WeakPolarHBondContact O-CB 3.06Å; Q30-F34 PolarHBondContact O-N 3.4Å |
| 31 | L | 67.7 | Low | 71 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 38% | 0.377 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 172.7 | -85.7 | 163.4 | 0 | 0 | 0 | 112.5 | T23 M26 T27 R28 F34 A35 | T23-L31 HydrophobicContact CG2-CD2 3.9Å; M26-L31 HydrophobicContact CB-CG 4.04Å; T27-L31 PolarHBondContact O-N 3.3Å; T27-L31 VanDerWaalsContact O-N 3.13Å; R28-L31 PolarHBondContact O-N 3.41Å; L31-F34 PolarHBondContact O-N 3.45Å; L31-A35 WeakPolarHBondContact O-CB 3.43Å; L31-A35 PolarHBondContact O-N 3.2Å |
| 32 | E | 72.1 | Confident | 72.1 | Confident | 98 Ų | 98 | 87.6 Ų | 87.6 | 46% | 0.458 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.1 | -80.3 | -179.5 | -166 | 0 | 0 | 111.3 | R28 D29 A35 L36 | R28-E32 IonicContact CZ-OE1 3.56Å; R28-E32 IonicContact NE-OE1 3.09Å; R28-E32 PolarHBondContact NE-OE1 2.75Å; R28-E32 VanDerWaalsContact NE-OE1 3.09Å; R28-E32 IonicContact NH2-OE1 3.11Å; R28-E32 PolarHBondContact NH2-OE1 3.28Å; R28-E32 VanDerWaalsContact NH2-OE1 3.11Å; R28-E32 PolarHBondContact O-N 3.49Å; D29-E32 PolarHBondContact O-N 3.24Å; E32-A35 PolarHBondContact O-N 3.08Å; E32-L36 WeakPolarHBondContact O-CG 3.5Å; E32-L36 PolarHBondContact O-N 3.18Å |
| 33 | A | 74.9 | Confident | 73.2 | Confident | 60 Ų | 60 | 87.3 Ų | 87.3 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D29 L36 R37 | D29-A33 WeakPolarHBondContact O-CB 3.45Å; D29-A33 PolarHBondContact O-N 2.96Å; A33-L36 PolarHBondContact O-N 3.23Å; A33-R37 PolarHBondContact O-N 3.44Å |
| 34 | F | 75.7 | Confident | 74.3 | Confident | 28 Ų | 28 | 93.7 Ų | 93.7 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.4 | -169.5 | -108.8 | 0 | 0 | 0 | 112.1 | I18 D19 V21 Q30 L31 L36 R37 L38 | I18-F34 HydrophobicContact CB-CE1 4.05Å; I18-F34 HydrophobicContact CG2-CE1 4.02Å; I18-F34 WeakPolarHBondContact O-CE1 3.08Å; I18-F34 WeakPolarHBondContact O-CZ 3.49Å; D19-F34 HydrophobicContact CB-CZ 3.97Å; V21-F34 HydrophobicContact CB-CE1 4.49Å; V21-F34 HydrophobicContact CB-CE2 3.79Å; V21-F34 HydrophobicContact CB-CZ 3.76Å; V21-F34 HydrophobicContact CG1-CE2 4.41Å; V21-F34 HydrophobicContact CG2-CD2 4.41Å; V21-F34 HydrophobicContact CG2-CE2 3.49Å; V21-F34 VanDerWaalsContact CG2-CE2 3.49Å; V21-F34 HydrophobicContact CG2-CZ 3.8Å; Q30-F34 WeakPolarHBondContact O-CB 3.06Å; Q30-F34 PolarHBondContact O-N 3.4Å; L31-F34 PolarHBondContact O-N 3.45Å; F34-L36 VanDerWaalsContact C-N 3.33Å; F34-L36 PolarHBondContact O-N 3.42Å; F34-R37 PolarHBondContact O-N 2.69Å; F34-L38 HydrophobicContact CD1-CD1 3.77Å; F34-L38 HydrophobicContact CE1-CD1 3.22Å; F34-L38 HydrophobicContact CE2-CD1 4.4Å; F34-L38 HydrophobicContact CZ-CD1 3.59Å; F34-L38 PolarHBondContact O-N 2.72Å |
| 35 | A | 75.9 | Confident | 75.2 | Confident | 59 Ų | 59 | 94.3 Ų | 94.3 | 49% | 0.488 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L31 E32 K39 | L31-A35 WeakPolarHBondContact O-CB 3.43Å; L31-A35 PolarHBondContact O-N 3.2Å; E32-A35 PolarHBondContact O-N 3.08Å; A35-K39 WeakPolarHBondContact O-CB 3.37Å; A35-K39 PolarHBondContact O-N 3.44Å |
| 36 | L | 79.8 | Confident | 76.4 | Confident | 120 Ų | 120 | 97.2 Ų | 97.2 | 63% | 0.628 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 174.6 | -78.8 | 167.7 | 0 | 0 | 0 | 112.2 | E32 A33 F34 K39 A40 | E32-L36 WeakPolarHBondContact O-CG 3.5Å; E32-L36 PolarHBondContact O-N 3.18Å; A33-L36 PolarHBondContact O-N 3.23Å; F34-L36 VanDerWaalsContact C-N 3.33Å; F34-L36 PolarHBondContact O-N 3.42Å; L36-K39 PolarHBondContact O-N 2.85Å; L36-A40 PolarHBondContact O-N 3.39Å |
| 37 | R | 81.4 | Confident | 77.6 | Confident | 164 Ų | 164 | 100.9 Ų | 100.9 | 62% | 0.619 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -48.1 | 176.9 | -174.6 | -179.2 | 176.9 | 160.6 | 1.7 | 112.1 | A33 F34 K39 A40 E41 | A33-R37 PolarHBondContact O-N 3.44Å; F34-R37 PolarHBondContact O-N 2.69Å; R37-K39 PolarHBondContact O-N 3.36Å; R37-A40 WeakPolarHBondContact O-CB 3.32Å; R37-A40 PolarHBondContact O-N 3.31Å; R37-A40 VanDerWaalsContact O-N 3.08Å; R37-E41 IonicContact NE-OE1 3.34Å; R37-E41 PolarHBondContact NE-OE1 3.09Å; R37-E41 IonicContact NH2-OE1 3.86Å; R37-E41 PolarHBondContact O-N 3.26Å |
| 38 | L | 78.2 | Confident | 78.6 | Confident | 50 Ų | 50 | 100 Ų | 100 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 176.6 | -111.1 | 139.9 | 0 | 0 | 0 | 111.9 | I18 D19 F34 M42 | I18-L38 HydrophobicContact CG2-CD1 3.67Å; D19-L38 HydrophobicContact CB-CD1 3.76Å; D19-L38 HydrophobicContact CB-CD2 4.08Å; D19-L38 HydrophobicContact CB-CG 4.05Å; F34-L38 HydrophobicContact CD1-CD1 3.77Å; F34-L38 HydrophobicContact CE1-CD1 3.22Å; F34-L38 HydrophobicContact CE2-CD1 4.4Å; F34-L38 HydrophobicContact CZ-CD1 3.59Å; F34-L38 PolarHBondContact O-N 2.72Å; L38-M42 VanDerWaalsContact O-CB 3.29Å; L38-M42 WeakPolarHBondContact O-CB 3.25Å; L38-M42 PolarHBondContact O-N 3.37Å |
| 39 | K | 81.9 | Confident | 79.4 | Confident | 134 Ų | 134 | 98.6 Ų | 98.6 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 173.9 | -168.9 | 178.5 | 177.9 | -175.4 | 0 | 111.5 | A35 L36 R37 M42 D43 | A35-K39 WeakPolarHBondContact O-CB 3.37Å; A35-K39 PolarHBondContact O-N 3.44Å; L36-K39 PolarHBondContact O-N 2.85Å; R37-K39 PolarHBondContact O-N 3.36Å; K39-M42 WeakPolarHBondContact O-CB 3.2Å; K39-M42 PolarHBondContact O-N 3.24Å; K39-D43 WeakPolarHBondContact O-CB 3.1Å; K39-D43 VanDerWaalsContact O-CG 3.32Å; K39-D43 PolarHBondContact O-N 3.22Å |
| 40 | A | 82.3 | Confident | 80.4 | Confident | 58 Ų | 58 | 97.2 Ų | 97.2 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L36 R37 D43 R44 | L36-A40 PolarHBondContact O-N 3.39Å; R37-A40 WeakPolarHBondContact O-CB 3.32Å; R37-A40 PolarHBondContact O-N 3.31Å; R37-A40 VanDerWaalsContact O-N 3.08Å; A40-D43 PolarHBondContact O-N 3.46Å; A40-R44 WeakPolarHBondContact O-CB 3.13Å; A40-R44 PolarHBondContact O-N 2.77Å |
| 41 | E | 79.9 | Confident | 81.5 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 174.1 | -79.8 | 175.8 | -166 | 0 | 0 | 111.7 | R37 D43 R44 E45 | R37-E41 IonicContact NE-OE1 3.34Å; R37-E41 PolarHBondContact NE-OE1 3.09Å; R37-E41 IonicContact NH2-OE1 3.86Å; R37-E41 PolarHBondContact O-N 3.26Å; E41-D43 VanDerWaalsContact C-N 3.34Å; E41-D43 PolarHBondContact O-N 3.42Å; E41-R44 PolarHBondContact O-N 2.87Å; E41-E45 WeakPolarHBondContact O-CB 3.49Å; E41-E45 WeakPolarHBondContact O-CG 3.12Å; E41-E45 PolarHBondContact O-N 3.4Å |
| 42 | M | 82.9 | Confident | 82.6 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 172.1 | -105.6 | -76.4 | -51.5 | 0 | 0 | 112.9 | L38 K39 R46 | L38-M42 VanDerWaalsContact O-CB 3.29Å; L38-M42 WeakPolarHBondContact O-CB 3.25Å; L38-M42 PolarHBondContact O-N 3.37Å; K39-M42 WeakPolarHBondContact O-CB 3.2Å; K39-M42 PolarHBondContact O-N 3.24Å; M42-R46 HydrophobicContact CE-CG 4.49Å; M42-R46 WeakPolarHBondContact O-CB 3.45Å; M42-R46 VanDerWaalsContact O-CG 3.26Å; M42-R46 WeakPolarHBondContact O-CG 3.3Å; M42-R46 PolarHBondContact O-N 2.79Å |
| 43 | D | 84.4 | Confident | 83.4 | Confident | 65 Ų | 65 | 101.3 Ų | 101.3 | 35% | 0.348 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70 | -39.6 | 178 | -72.2 | -26.8 | 0 | 0 | 0 | 110.8 | K39 A40 E41 R46 E47 | K39-D43 WeakPolarHBondContact O-CB 3.1Å; K39-D43 VanDerWaalsContact O-CG 3.32Å; K39-D43 PolarHBondContact O-N 3.22Å; A40-D43 PolarHBondContact O-N 3.46Å; E41-D43 VanDerWaalsContact C-N 3.34Å; E41-D43 PolarHBondContact O-N 3.42Å; D43-R46 WeakPolarHBondContact O-CB 3.47Å; D43-R46 PolarHBondContact O-N 2.61Å; D43-E47 WeakPolarHBondContact O-CG 3.35Å; D43-E47 PolarHBondContact O-N 3.17Å |
| 44 | R | 86.6 | Confident | 84.2 | Confident | 157 Ų | 157 | 102.9 Ų | 102.9 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.6 | -47.8 | 172.9 | -174.4 | -174 | 176.5 | 121.2 | 4.6 | 112.5 | A40 E41 R46 E47 E48 | A40-R44 WeakPolarHBondContact O-CB 3.13Å; A40-R44 PolarHBondContact O-N 2.77Å; E41-R44 PolarHBondContact O-N 2.87Å; R44-R46 PolarHBondContact O-N 2.89Å; R44-E47 WeakPolarHBondContact O-CB 3.12Å; R44-E47 PolarHBondContact O-N 3.38Å; R44-E47 VanDerWaalsContact O-N 3.1Å; R44-E48 IonicContact CZ-OE1 3.58Å; R44-E48 IonicContact NE-OE1 2.88Å; R44-E48 PolarHBondContact NE-OE1 2.79Å; R44-E48 IonicContact NH2-OE1 3.36Å; R44-E48 PolarHBondContact NH2-OE1 3.08Å; R44-E48 WeakPolarHBondContact O-CG 3.43Å; R44-E48 PolarHBondContact O-N 3.35Å |
| 45 | E | 83 | Confident | 84.9 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -30.5 | 176.8 | -78 | -72.1 | 158.3 | 0 | 0 | 112 | E41 R49 | E41-E45 WeakPolarHBondContact O-CB 3.49Å; E41-E45 WeakPolarHBondContact O-CG 3.12Å; E41-E45 PolarHBondContact O-N 3.4Å; E45-R49 WeakPolarHBondContact O-CB 3.45Å; E45-R49 PolarHBondContact O-N 3.35Å |
| 46 | R | 85.1 | Confident | 85.7 | Confident | 153 Ų | 153 | 108.6 Ų | 108.6 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70 | -43.2 | 171.5 | -77.9 | 173.1 | 172.1 | -167.7 | 0.7 | 111.9 | M42 D43 R44 R49 N50 | M42-R46 HydrophobicContact CE-CG 4.49Å; M42-R46 WeakPolarHBondContact O-CB 3.45Å; M42-R46 VanDerWaalsContact O-CG 3.26Å; M42-R46 WeakPolarHBondContact O-CG 3.3Å; M42-R46 PolarHBondContact O-N 2.79Å; D43-R46 WeakPolarHBondContact O-CB 3.47Å; D43-R46 PolarHBondContact O-N 2.61Å; R44-R46 PolarHBondContact O-N 2.89Å; R46-R49 PolarHBondContact O-N 2.88Å; R46-N50 VanDerWaalsContact O-CB 3.3Å; R46-N50 WeakPolarHBondContact O-CB 3.28Å; R46-N50 PolarHBondContact O-N 3.41Å |
| 47 | E | 85.9 | Confident | 86.3 | Confident | 138 Ų | 138 | 107 Ų | 107 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.9 | -46.4 | 175.4 | -72.8 | 173.8 | -177.6 | 0 | 0 | 111.5 | D43 R44 R49 N50 Y51 | D43-E47 WeakPolarHBondContact O-CG 3.35Å; D43-E47 PolarHBondContact O-N 3.17Å; R44-E47 WeakPolarHBondContact O-CB 3.12Å; R44-E47 PolarHBondContact O-N 3.38Å; R44-E47 VanDerWaalsContact O-N 3.1Å; E47-R49 PolarHBondContact O-N 3.39Å; E47-N50 PolarHBondContact O-N 3.45Å; E47-Y51 WeakPolarHBondContact O-CB 3.45Å; E47-Y51 PolarHBondContact O-N 3.4Å |
| 48 | E | 86.3 | Confident | 86.9 | Confident | 67 Ų | 67 | 104 Ų | 104 | 31% | 0.313 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.9 | -71.5 | -177.7 | -170.3 | 0 | 0 | 111.3 | R44 N50 Y51 F52 | R44-E48 IonicContact CZ-OE1 3.58Å; R44-E48 IonicContact NE-OE1 2.88Å; R44-E48 PolarHBondContact NE-OE1 2.79Å; R44-E48 IonicContact NH2-OE1 3.36Å; R44-E48 PolarHBondContact NH2-OE1 3.08Å; R44-E48 WeakPolarHBondContact O-CG 3.43Å; R44-E48 PolarHBondContact O-N 3.35Å; E48-N50 VanDerWaalsContact C-N 3.33Å; E48-N50 PolarHBondContact O-N 2.8Å; E48-Y51 WeakPolarHBondContact O-CB 3.37Å; E48-Y51 PolarHBondContact O-N 3.32Å; E48-F52 HydrophobicContact CB-CE2 4.49Å; E48-F52 WeakPolarHBondContact O-CD2 3.39Å; E48-F52 PolarHBondContact O-N 3.2Å |
| 49 | R | 87.3 | Confident | 87.6 | Confident | 159 Ų | 159 | 107 Ų | 107 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 175.7 | -164.1 | -170.8 | -54.3 | -162.1 | 1.5 | 112.3 | E45 R46 E47 Q53 | E45-R49 WeakPolarHBondContact O-CB 3.45Å; E45-R49 PolarHBondContact O-N 3.35Å; R46-R49 PolarHBondContact O-N 2.88Å; E47-R49 PolarHBondContact O-N 3.39Å; R49-Q53 WeakPolarHBondContact O-CB 3.48Å; R49-Q53 VanDerWaalsContact O-CG 3.31Å; R49-Q53 WeakPolarHBondContact O-CG 3.29Å; R49-Q53 PolarHBondContact O-N 3.39Å |
| 50 | N | 88.9 | Confident | 88.1 | Confident | 88 Ų | 88 | 108.4 Ų | 108.4 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 175 | -169.9 | -25.9 | 0 | 0 | 0 | 110.6 | R46 E47 E48 F52 Q53 L54 | R46-N50 VanDerWaalsContact O-CB 3.3Å; R46-N50 WeakPolarHBondContact O-CB 3.28Å; R46-N50 PolarHBondContact O-N 3.41Å; E47-N50 PolarHBondContact O-N 3.45Å; E48-N50 VanDerWaalsContact C-N 3.33Å; E48-N50 PolarHBondContact O-N 2.8Å; N50-F52 PolarHBondContact O-N 3.06Å; N50-Q53 WeakPolarHBondContact O-CB 3.43Å; N50-Q53 PolarHBondContact O-N 3.41Å; N50-Q53 VanDerWaalsContact O-N 3.13Å; N50-L54 WeakPolarHBondContact O-CG 3.46Å; N50-L54 PolarHBondContact O-N 3.04Å; N50-L54 WeakPolarHBondContact OD1-CD1 3.24Å |
| 51 | Y | 91.3 | Very high | 88.6 | Confident | 132 Ų | 132 | 108.9 Ų | 108.9 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.2 | -49.2 | 175.2 | 179.9 | -98.9 | 0 | 0 | 0 | 112.2 | E47 E48 Q53 L54 E55 | E47-Y51 WeakPolarHBondContact O-CB 3.45Å; E47-Y51 PolarHBondContact O-N 3.4Å; E48-Y51 WeakPolarHBondContact O-CB 3.37Å; E48-Y51 PolarHBondContact O-N 3.32Å; Y51-Q53 VanDerWaalsContact C-N 3.29Å; Y51-Q53 PolarHBondContact O-N 3.48Å; Y51-L54 PolarHBondContact O-N 3.38Å; Y51-E55 HydrophobicContact CD1-CG 4.35Å; Y51-E55 HydrophobicContact CE1-CG 3.87Å; Y51-E55 HydrophobicContact CE2-CG 4.16Å; Y51-E55 PolarHBondContact O-N 3.15Å |
| 52 | F | 90.6 | Very high | 89.3 | Confident | 132 Ų | 132 | 111.6 Ų | 111.6 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.7 | -25 | 177.3 | -71.6 | -60.5 | 0 | 0 | 0 | 113.7 | E48 N50 R56 | E48-F52 HydrophobicContact CB-CE2 4.49Å; E48-F52 WeakPolarHBondContact O-CD2 3.39Å; E48-F52 PolarHBondContact O-N 3.2Å; N50-F52 PolarHBondContact O-N 3.06Å; F52-R56 VanDerWaalsContact O-CB 3.26Å; F52-R56 WeakPolarHBondContact O-CB 3.23Å; F52-R56 PolarHBondContact O-N 3.47Å |
| 53 | Q | 88.3 | Confident | 89.9 | Confident | 88 Ų | 88 | 114.2 Ų | 114.2 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -50 | 169.4 | -82.4 | 173.2 | 10.3 | 0 | 0 | 110.8 | R49 N50 Y51 E55 R56 D57 | R49-Q53 WeakPolarHBondContact O-CB 3.48Å; R49-Q53 VanDerWaalsContact O-CG 3.31Å; R49-Q53 WeakPolarHBondContact O-CG 3.29Å; R49-Q53 PolarHBondContact O-N 3.39Å; N50-Q53 WeakPolarHBondContact O-CB 3.43Å; N50-Q53 PolarHBondContact O-N 3.41Å; N50-Q53 VanDerWaalsContact O-N 3.13Å; Y51-Q53 VanDerWaalsContact C-N 3.29Å; Y51-Q53 PolarHBondContact O-N 3.48Å; Q53-E55 PolarHBondContact O-N 3.32Å; Q53-R56 PolarHBondContact O-N 2.82Å; Q53-D57 PolarHBondContact O-N 3.44Å |
| 54 | L | 91.8 | Very high | 90.4 | Very high | 94 Ų | 94 | 115.6 Ų | 115.6 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.2 | -71.2 | 170.7 | 0 | 0 | 0 | 112.7 | N50 Y51 D57 K58 | N50-L54 WeakPolarHBondContact O-CG 3.46Å; N50-L54 PolarHBondContact O-N 3.04Å; N50-L54 WeakPolarHBondContact OD1-CD1 3.24Å; Y51-L54 PolarHBondContact O-N 3.38Å; L54-D57 PolarHBondContact O-N 3.28Å; L54-K58 WeakPolarHBondContact O-CG 3.15Å; L54-K58 PolarHBondContact O-N 3.2Å |
| 55 | E | 91.3 | Very high | 90.7 | Very high | 56 Ų | 56 | 112 Ų | 112 | 26% | 0.262 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 177.7 | -74.2 | -57 | 130.6 | 0 | 0 | 112.2 | Y51 Q53 K58 I59 | Y51-E55 HydrophobicContact CD1-CG 4.35Å; Y51-E55 HydrophobicContact CE1-CG 3.87Å; Y51-E55 HydrophobicContact CE2-CG 4.16Å; Y51-E55 PolarHBondContact O-N 3.15Å; Q53-E55 PolarHBondContact O-N 3.32Å; E55-K58 PolarHBondContact O-N 3.2Å; E55-K58 IonicContact OE1-NZ 3.77Å; E55-K58 PolarHBondContact OE1-NZ 3.38Å; E55-I59 WeakPolarHBondContact O-CG1 3.45Å; E55-I59 PolarHBondContact O-N 3.13Å |
| 56 | R | 93.1 | Very high | 91.3 | Very high | 151 Ų | 151 | 110.7 Ų | 110.7 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 173.4 | 170.3 | 174.3 | 35.1 | 142.6 | -5.7 | 111.6 | F52 Q53 K58 I59 R60 | F52-R56 VanDerWaalsContact O-CB 3.26Å; F52-R56 WeakPolarHBondContact O-CB 3.23Å; F52-R56 PolarHBondContact O-N 3.47Å; Q53-R56 PolarHBondContact O-N 2.82Å; R56-K58 VanDerWaalsContact C-N 3.35Å; R56-I59 PolarHBondContact O-N 3.31Å; R56-R60 WeakPolarHBondContact O-CB 3.38Å; R56-R60 PolarHBondContact O-N 3.4Å |
| 57 | D | 92.5 | Very high | 91.7 | Very high | 87 Ų | 87 | 109.9 Ų | 109.9 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 179.3 | -69.8 | -16.3 | 0 | 0 | 0 | 110.9 | Q53 L54 R60 T61 | Q53-D57 PolarHBondContact O-N 3.44Å; L54-D57 PolarHBondContact O-N 3.28Å; D57-R60 WeakPolarHBondContact O-CB 3.45Å; D57-R60 PolarHBondContact O-N 2.79Å; D57-T61 WeakPolarHBondContact O-CG2 3.5Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 3.47Å |
| 58 | K | 93.1 | Very high | 92.2 | Very high | 101 Ų | 101 | 108.9 Ų | 108.9 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 171.4 | -75.7 | 176.6 | -170.4 | 169.7 | 0 | 113 | L54 E55 R56 R60 T61 F62 | L54-K58 WeakPolarHBondContact O-CG 3.15Å; L54-K58 PolarHBondContact O-N 3.2Å; E55-K58 PolarHBondContact O-N 3.2Å; E55-K58 IonicContact OE1-NZ 3.77Å; E55-K58 PolarHBondContact OE1-NZ 3.38Å; R56-K58 VanDerWaalsContact C-N 3.35Å; K58-R60 PolarHBondContact O-N 2.81Å; K58-T61 WeakPolarHBondContact CA-OG1 3.37Å; K58-T61 PolarHBondContact O-N 3.45Å; K58-T61 PolarHBondContact O-OG1 3.44Å; K58-F62 WeakPolarHBondContact O-CD2 3.36Å; K58-F62 WeakPolarHBondContact O-CG 3.5Å; K58-F62 PolarHBondContact O-N 2.83Å |
| 59 | I | 92.4 | Very high | 92.6 | Very high | 112 Ų | 112 | 110.5 Ų | 110.5 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 177.4 | -69.3 | 168.8 | 0 | 0 | 0 | 110 | E55 R56 F62 W63 | E55-I59 WeakPolarHBondContact O-CG1 3.45Å; E55-I59 PolarHBondContact O-N 3.13Å; R56-I59 PolarHBondContact O-N 3.31Å; I59-F62 PolarHBondContact O-N 3.47Å; I59-W63 WeakPolarHBondContact O-CB 3.34Å; I59-W63 PolarHBondContact O-N 3Å |
| 60 | R | 92.9 | Very high | 92.9 | Very high | 163 Ų | 163 | 106.9 Ų | 106.9 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 177.8 | -147.8 | 178.4 | -156.1 | -141.5 | 2.1 | 111.8 | R56 D57 K58 W63 E64 | R56-R60 WeakPolarHBondContact O-CB 3.38Å; R56-R60 PolarHBondContact O-N 3.4Å; D57-R60 WeakPolarHBondContact O-CB 3.45Å; D57-R60 PolarHBondContact O-N 2.79Å; K58-R60 PolarHBondContact O-N 2.81Å; R60-W63 PolarHBondContact O-N 3Å; R60-E64 WeakPolarHBondContact O-CG 3.21Å; R60-E64 PolarHBondContact O-N 3.27Å |
| 61 | T | 93.4 | Very high | 93.2 | Very high | 68 Ų | 68 | 106.4 Ų | 106.4 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.8 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | D57 K58 W63 E64 I65 | D57-T61 WeakPolarHBondContact O-CG2 3.5Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 3.47Å; K58-T61 WeakPolarHBondContact CA-OG1 3.37Å; K58-T61 PolarHBondContact O-N 3.45Å; K58-T61 PolarHBondContact O-OG1 3.44Å; T61-W63 VanDerWaalsContact C-N 3.33Å; T61-W63 PolarHBondContact O-N 3.28Å; T61-E64 PolarHBondContact O-N 3.08Å; T61-I65 WeakPolarHBondContact O-CB 3.38Å; T61-I65 VanDerWaalsContact O-CG1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.25Å |
| 62 | F | 94.3 | Very high | 93.4 | Very high | 135 Ų | 135 | 104.6 Ų | 104.6 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 174 | -73.3 | -46.9 | 0 | 0 | 0 | 112.6 | K58 I59 I65 T66 | K58-F62 WeakPolarHBondContact O-CD2 3.36Å; K58-F62 WeakPolarHBondContact O-CG 3.5Å; K58-F62 PolarHBondContact O-N 2.83Å; I59-F62 PolarHBondContact O-N 3.47Å; F62-I65 PolarHBondContact O-N 3.36Å; F62-T66 WeakPolarHBondContact O-CB 3.13Å; F62-T66 WeakPolarHBondContact O-CG2 3.42Å; F62-T66 PolarHBondContact O-N 2.98Å; F62-T66 PolarHBondContact O-OG1 3.12Å |
| 63 | W | 95.2 | Very high | 93.5 | Very high | 145 Ų | 145 | 101.5 Ų | 101.5 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.1 | -178 | 80.8 | 0 | 0 | 0 | 112.1 | I59 R60 T61 T66 R67 | I59-W63 WeakPolarHBondContact O-CB 3.34Å; I59-W63 PolarHBondContact O-N 3Å; R60-W63 PolarHBondContact O-N 3Å; T61-W63 VanDerWaalsContact C-N 3.33Å; T61-W63 PolarHBondContact O-N 3.28Å; W63-T66 WeakPolarHBondContact CA-OG1 3.37Å; W63-T66 PolarHBondContact O-OG1 3.43Å; W63-R67 VanDerWaalsContact CH2-NH1 3.32Å; W63-R67 WeakPolarHBondContact O-CB 3.43Å; W63-R67 PolarHBondContact O-N 2.88Å |
| 64 | E | 94.7 | Very high | 93.9 | Very high | 95 Ų | 95 | 103.9 Ų | 103.9 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 175.9 | -73.8 | 170.6 | -173.3 | 0 | 0 | 111.6 | R60 T61 R67 Q68 | R60-E64 WeakPolarHBondContact O-CG 3.21Å; R60-E64 PolarHBondContact O-N 3.27Å; T61-E64 PolarHBondContact O-N 3.08Å; E64-R67 PolarHBondContact O-N 3.45Å; E64-Q68 WeakPolarHBondContact O-CB 3.48Å; E64-Q68 PolarHBondContact O-N 3.26Å |
| 65 | I | 94.4 | Very high | 94 | Very high | 82 Ų | 82 | 106.7 Ų | 106.7 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 177 | -67.9 | 164.6 | 0 | 0 | 0 | 111 | T61 F62 R67 Q68 Q69 | T61-I65 WeakPolarHBondContact O-CB 3.38Å; T61-I65 VanDerWaalsContact O-CG1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.25Å; F62-I65 PolarHBondContact O-N 3.36Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 2.99Å; I65-Q68 PolarHBondContact O-N 3.49Å; I65-Q69 HydrophobicContact CG2-CG 4.39Å; I65-Q69 WeakPolarHBondContact O-CG 3.42Å; I65-Q69 PolarHBondContact O-N 3.1Å |
| 66 | T | 93.8 | Very high | 94.2 | Very high | 78 Ų | 78 | 109.9 Ų | 109.9 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | -178.4 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | F62 W63 L70 | F62-T66 WeakPolarHBondContact O-CB 3.13Å; F62-T66 WeakPolarHBondContact O-CG2 3.42Å; F62-T66 PolarHBondContact O-N 2.98Å; F62-T66 PolarHBondContact O-OG1 3.12Å; W63-T66 WeakPolarHBondContact CA-OG1 3.37Å; W63-T66 PolarHBondContact O-OG1 3.43Å; T66-L70 WeakPolarHBondContact O-CB 3.33Å; T66-L70 PolarHBondContact O-N 3.04Å |
| 67 | R | 95.1 | Very high | 94.3 | Very high | 136 Ų | 136 | 108 Ų | 108 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 171.6 | -179.3 | 178.7 | 171.6 | -168 | -2.1 | 111.5 | W63 E64 I65 L70 D71 | W63-R67 VanDerWaalsContact CH2-NH1 3.32Å; W63-R67 WeakPolarHBondContact O-CB 3.43Å; W63-R67 PolarHBondContact O-N 2.88Å; E64-R67 PolarHBondContact O-N 3.45Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 2.99Å; R67-L70 WeakPolarHBondContact O-CB 3.33Å; R67-L70 PolarHBondContact O-N 3.47Å; R67-D71 PolarHBondContact O-N 2.89Å |
| 68 | Q | 95.5 | Very high | 94.4 | Very high | 117 Ų | 117 | 109.3 Ų | 109.3 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177.2 | -173.2 | 179.8 | -16.2 | 0 | 0 | 111.3 | E64 I65 L70 D71 E72 | E64-Q68 WeakPolarHBondContact O-CB 3.48Å; E64-Q68 PolarHBondContact O-N 3.26Å; I65-Q68 PolarHBondContact O-N 3.49Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 3.12Å; Q68-D71 PolarHBondContact O-N 3.42Å; Q68-D71 VanDerWaalsContact O-N 3.15Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.49Å; Q68-E72 PolarHBondContact NE2-OE1 2.94Å; Q68-E72 WeakPolarHBondContact O-CB 3.5Å; Q68-E72 WeakPolarHBondContact O-CG 3.44Å; Q68-E72 PolarHBondContact O-N 3.2Å |
| 69 | Q | 94.6 | Very high | 94.5 | Very high | 102 Ų | 102 | 108.9 Ų | 108.9 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 175.3 | -72.3 | 174.4 | -17.3 | 0 | 0 | 112.6 | I65 T73 | I65-Q69 HydrophobicContact CG2-CG 4.39Å; I65-Q69 WeakPolarHBondContact O-CG 3.42Å; I65-Q69 PolarHBondContact O-N 3.1Å; Q69-T73 WeakPolarHBondContact O-CB 3.46Å; Q69-T73 WeakPolarHBondContact O-CG2 3.49Å; Q69-T73 PolarHBondContact O-N 2.84Å; Q69-T73 PolarHBondContact O-OG1 3.45Å |
| 70 | L | 94.3 | Very high | 94.7 | Very high | 83 Ų | 83 | 109 Ų | 109 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.2 | -175.2 | 76.7 | 0 | 0 | 0 | 111.4 | T66 R67 Q68 T73 R74 | T66-L70 WeakPolarHBondContact O-CB 3.33Å; T66-L70 PolarHBondContact O-N 3.04Å; R67-L70 WeakPolarHBondContact O-CB 3.33Å; R67-L70 PolarHBondContact O-N 3.47Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 3.12Å; L70-T73 WeakPolarHBondContact CA-OG1 3.39Å; L70-T73 PolarHBondContact O-OG1 2.98Å; L70-R74 WeakPolarHBondContact O-CB 3.41Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.25Å |
| 71 | D | 95.5 | Very high | 94.8 | Very high | 77 Ų | 77 | 105.9 Ų | 105.9 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -38.1 | 179.1 | -70.8 | -24.4 | 0 | 0 | 0 | 111.3 | R67 Q68 R74 Y75 | R67-D71 PolarHBondContact O-N 2.89Å; Q68-D71 PolarHBondContact O-N 3.42Å; Q68-D71 VanDerWaalsContact O-N 3.15Å; D71-R74 PolarHBondContact O-N 3.02Å; D71-Y75 PolarHBondContact O-N 2.92Å |
| 72 | E | 94.6 | Very high | 94.9 | Very high | 94 Ų | 94 | 109.5 Ų | 109.5 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -51 | 173 | -74.5 | 169.3 | -173.6 | 0 | 0 | 111.5 | Q68 R74 Y75 E76 | Q68-E72 WeakPolarHBondContact CG-OE1 3.49Å; Q68-E72 PolarHBondContact NE2-OE1 2.94Å; Q68-E72 WeakPolarHBondContact O-CB 3.5Å; Q68-E72 WeakPolarHBondContact O-CG 3.44Å; Q68-E72 PolarHBondContact O-N 3.2Å; E72-R74 VanDerWaalsContact C-N 3.31Å; E72-R74 PolarHBondContact O-N 3.43Å; E72-Y75 WeakPolarHBondContact O-CB 3.3Å; E72-Y75 PolarHBondContact O-N 3.29Å; E72-Y75 VanDerWaalsContact O-N 3.1Å; E72-E76 WeakPolarHBondContact O-CG 3.48Å; E72-E76 PolarHBondContact O-N 2.76Å |
| 73 | T | 93.7 | Very high | 94.9 | Very high | 68 Ų | 68 | 107.1 Ų | 107.1 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 178.3 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | Q69 L70 E76 L77 | Q69-T73 WeakPolarHBondContact O-CB 3.46Å; Q69-T73 WeakPolarHBondContact O-CG2 3.49Å; Q69-T73 PolarHBondContact O-N 2.84Å; Q69-T73 PolarHBondContact O-OG1 3.45Å; L70-T73 WeakPolarHBondContact CA-OG1 3.39Å; L70-T73 PolarHBondContact O-OG1 2.98Å; T73-E76 PolarHBondContact O-N 3.36Å; T73-L77 WeakPolarHBondContact O-CB 3.47Å; T73-L77 PolarHBondContact O-N 3.47Å |
| 74 | R | 95 | Very high | 94.9 | Very high | 137 Ų | 137 | 104.4 Ų | 104.4 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 172.3 | -79.3 | 172.2 | 172.6 | -175.8 | -2.7 | 112.1 | L70 D71 E72 L77 Q78 | L70-R74 WeakPolarHBondContact O-CB 3.41Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.25Å; D71-R74 PolarHBondContact O-N 3.02Å; E72-R74 VanDerWaalsContact C-N 3.31Å; E72-R74 PolarHBondContact O-N 3.43Å; R74-L77 PolarHBondContact O-N 3.4Å; R74-Q78 WeakPolarHBondContact O-CG 3.44Å; R74-Q78 PolarHBondContact O-N 2.95Å; R74-Q78 VanDerWaalsContact O-N 3.09Å |
| 75 | Y | 95.5 | Very high | 94.9 | Very high | 154 Ų | 154 | 105.5 Ų | 105.5 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 176.1 | -175.6 | -95.2 | 0 | 0 | 0 | 111.4 | D71 E72 L77 Q78 Q79 | D71-Y75 PolarHBondContact O-N 2.92Å; E72-Y75 WeakPolarHBondContact O-CB 3.3Å; E72-Y75 PolarHBondContact O-N 3.29Å; E72-Y75 VanDerWaalsContact O-N 3.1Å; Y75-L77 PolarHBondContact O-N 2.96Å; Y75-Q78 PolarHBondContact O-N 3.12Å; Y75-Q79 WeakPolarHBondContact O-CB 3.48Å; Y75-Q79 PolarHBondContact O-N 3.42Å |
| 76 | E | 95 | Very high | 94.9 | Very high | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | 175 | -71.5 | 178.2 | 172.9 | 0 | 0 | 112.3 | E72 T73 Q79 K80 | E72-E76 WeakPolarHBondContact O-CG 3.48Å; E72-E76 PolarHBondContact O-N 2.76Å; T73-E76 PolarHBondContact O-N 3.36Å; E76-Q79 PolarHBondContact O-N 3.15Å; E76-K80 WeakPolarHBondContact O-CG 3.39Å; E76-K80 PolarHBondContact O-N 3.12Å |
| 77 | L | 94.3 | Very high | 95 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -48.2 | 174.8 | -93.2 | 159 | 0 | 0 | 0 | 111.8 | T73 R74 Y75 Q79 K80 D81 | T73-L77 WeakPolarHBondContact O-CB 3.47Å; T73-L77 PolarHBondContact O-N 3.47Å; R74-L77 PolarHBondContact O-N 3.4Å; Y75-L77 PolarHBondContact O-N 2.96Å; L77-Q79 VanDerWaalsContact C-N 3.26Å; L77-Q79 PolarHBondContact O-N 3.13Å; L77-K80 PolarHBondContact O-N 3.46Å; L77-K80 VanDerWaalsContact O-N 3.14Å; L77-D81 PolarHBondContact O-N 3.3Å |
| 78 | Q | 95.6 | Very high | 95 | Very high | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 177 | -72.3 | 178.5 | 5.8 | 0 | 0 | 112.5 | R74 Y75 K82 | R74-Q78 WeakPolarHBondContact O-CG 3.44Å; R74-Q78 PolarHBondContact O-N 2.95Å; R74-Q78 VanDerWaalsContact O-N 3.09Å; Y75-Q78 PolarHBondContact O-N 3.12Å; Q78-K82 WeakPolarHBondContact O-CG 3.49Å; Q78-K82 PolarHBondContact O-N 2.89Å |
| 79 | Q | 95.2 | Very high | 95 | Very high | 92 Ų | 92 | 102.4 Ų | 102.4 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 175.8 | -170.2 | 164.2 | -5.7 | 0 | 0 | 111.2 | Y75 E76 L77 K82 E83 | Y75-Q79 WeakPolarHBondContact O-CB 3.48Å; Y75-Q79 PolarHBondContact O-N 3.42Å; E76-Q79 PolarHBondContact O-N 3.15Å; L77-Q79 VanDerWaalsContact C-N 3.26Å; L77-Q79 PolarHBondContact O-N 3.13Å; Q79-K82 PolarHBondContact O-N 3.47Å; Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 2.97Å |
| 80 | K | 95.6 | Very high | 95.1 | Very high | 115 Ų | 115 | 102.8 Ų | 102.8 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 174.3 | -69.7 | -67 | 167.5 | -158.9 | 0 | 113.1 | E76 L77 K82 E83 I84 | E76-K80 WeakPolarHBondContact O-CG 3.39Å; E76-K80 PolarHBondContact O-N 3.12Å; L77-K80 PolarHBondContact O-N 3.46Å; L77-K80 VanDerWaalsContact O-N 3.14Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.39Å; K80-E83 WeakPolarHBondContact CD-OE2 3.42Å; K80-E83 IonicContact NZ-OE1 2.77Å; K80-E83 IonicContact NZ-OE2 3.72Å; K80-E83 PolarHBondContact NZ-OE2 2.88Å; K80-E83 PolarHBondContact O-N 2.9Å; K80-I84 WeakPolarHBondContact O-CG1 3.38Å; K80-I84 PolarHBondContact O-N 3.46Å |
| 81 | D | 95.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 101.1 Ų | 101.1 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.7 | -71.7 | -26.9 | 0 | 0 | 0 | 111.4 | L77 I84 E85 | L77-D81 PolarHBondContact O-N 3.3Å; D81-I84 PolarHBondContact O-N 3.27Å; D81-E85 PolarHBondContact O-N 3.38Å |
| 82 | K | 95.5 | Very high | 95.2 | Very high | 144 Ų | 144 | 101.9 Ų | 101.9 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -38.4 | 174.3 | -71.8 | 176.6 | -177.2 | 178.5 | 0 | 113 | Q78 Q79 K80 I84 E85 A86 | Q78-K82 WeakPolarHBondContact O-CG 3.49Å; Q78-K82 PolarHBondContact O-N 2.89Å; Q79-K82 PolarHBondContact O-N 3.47Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.39Å; K82-I84 VanDerWaalsContact C-N 3.35Å; K82-E85 PolarHBondContact O-N 3.33Å; K82-A86 WeakPolarHBondContact O-CB 3.28Å; K82-A86 PolarHBondContact O-N 3.18Å |
| 83 | E | 95 | Very high | 95.3 | Very high | 85 Ų | 85 | 102.1 Ų | 102.1 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 174.5 | -75.6 | 173.7 | -166.6 | 0 | 0 | 110.9 | Q79 K80 A86 T87 | Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 2.97Å; K80-E83 WeakPolarHBondContact CD-OE2 3.42Å; K80-E83 IonicContact NZ-OE1 2.77Å; K80-E83 IonicContact NZ-OE2 3.72Å; K80-E83 PolarHBondContact NZ-OE2 2.88Å; K80-E83 PolarHBondContact O-N 2.9Å; E83-A86 PolarHBondContact O-N 3.12Å; E83-T87 WeakPolarHBondContact O-CG2 3.38Å; E83-T87 PolarHBondContact O-N 2.86Å; E83-T87 PolarHBondContact O-OG1 3.18Å |
| 84 | I | 94.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 103.9 Ų | 103.9 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 176.5 | -68.9 | 166.6 | 0 | 0 | 0 | 110.4 | K80 D81 K82 A86 T87 Q88 | K80-I84 WeakPolarHBondContact O-CG1 3.38Å; K80-I84 PolarHBondContact O-N 3.46Å; D81-I84 PolarHBondContact O-N 3.27Å; K82-I84 VanDerWaalsContact C-N 3.35Å; I84-A86 PolarHBondContact O-N 3.45Å; I84-T87 PolarHBondContact O-N 3.42Å; I84-T87 PolarHBondContact O-OG1 3.03Å; I84-Q88 HydrophobicContact CG2-CG 4.48Å; I84-Q88 WeakPolarHBondContact O-CG 3.45Å; I84-Q88 PolarHBondContact O-N 2.86Å |
| 85 | E | 95.4 | Very high | 95.4 | Very high | 119 Ų | 119 | 101 Ų | 101 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.3 | -47.4 | 178.2 | -170.2 | 175.6 | -163.7 | 0 | 0 | 111.4 | D81 K82 T87 Q88 D89 | D81-E85 PolarHBondContact O-N 3.38Å; K82-E85 PolarHBondContact O-N 3.33Å; E85-T87 VanDerWaalsContact C-N 3.33Å; E85-T87 PolarHBondContact O-N 3.15Å; E85-Q88 PolarHBondContact O-N 3.23Å; E85-Q88 VanDerWaalsContact O-N 3.15Å; E85-D89 PolarHBondContact O-N 3.39Å |
| 86 | A | 95 | Very high | 95.4 | Very high | 51 Ų | 51 | 99.8 Ų | 99.8 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K82 E83 I84 L90 | K82-A86 WeakPolarHBondContact O-CB 3.28Å; K82-A86 PolarHBondContact O-N 3.18Å; E83-A86 PolarHBondContact O-N 3.12Å; I84-A86 PolarHBondContact O-N 3.45Å; A86-L90 PolarHBondContact O-N 3.5Å |
| 87 | T | 95.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.7 | -33.3 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | E83 I84 E85 A91 | E83-T87 WeakPolarHBondContact O-CG2 3.38Å; E83-T87 PolarHBondContact O-N 2.86Å; E83-T87 PolarHBondContact O-OG1 3.18Å; I84-T87 PolarHBondContact O-N 3.42Å; I84-T87 PolarHBondContact O-OG1 3.03Å; E85-T87 VanDerWaalsContact C-N 3.33Å; E85-T87 PolarHBondContact O-N 3.15Å; T87-A91 WeakPolarHBondContact O-CB 3.47Å; T87-A91 PolarHBondContact O-N 3.12Å |
| 88 | Q | 95.6 | Very high | 95.6 | Very high | 116 Ų | 116 | 97.8 Ų | 97.8 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 174.2 | -75.2 | 177.2 | -15.1 | 0 | 0 | 111.2 | I84 E85 L90 A91 D92 | I84-Q88 HydrophobicContact CG2-CG 4.48Å; I84-Q88 WeakPolarHBondContact O-CG 3.45Å; I84-Q88 PolarHBondContact O-N 2.86Å; E85-Q88 PolarHBondContact O-N 3.23Å; E85-Q88 VanDerWaalsContact O-N 3.15Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 2.97Å; Q88-A91 PolarHBondContact O-N 3.15Å; Q88-D92 PolarHBondContact O-N 3.3Å |
| 89 | D | 95.5 | Very high | 95.6 | Very high | 93 Ų | 93 | 97 Ų | 97 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 175.8 | -77.6 | -21.3 | 0 | 0 | 0 | 112.1 | E85 D92 I93 | E85-D89 PolarHBondContact O-N 3.39Å; D89-D92 PolarHBondContact O-N 2.86Å; D89-I93 VanDerWaalsContact O-CG1 3.28Å; D89-I93 WeakPolarHBondContact O-CG1 3.34Å; D89-I93 PolarHBondContact O-N 2.93Å |
| 90 | L | 95.8 | Very high | 95.7 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -46 | 175.1 | -77 | 167.7 | 0 | 0 | 0 | 111.8 | A86 Q88 D92 I93 D94 | A86-L90 PolarHBondContact O-N 3.5Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 2.97Å; L90-D92 VanDerWaalsContact C-N 3.29Å; L90-D92 PolarHBondContact O-N 3.43Å; L90-I93 PolarHBondContact O-N 3.28Å; L90-D94 PolarHBondContact O-N 2.98Å |
| 91 | A | 95.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 97.4 Ų | 97.4 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T87 Q88 D94 T95 | T87-A91 WeakPolarHBondContact O-CB 3.47Å; T87-A91 PolarHBondContact O-N 3.12Å; Q88-A91 PolarHBondContact O-N 3.15Å; A91-D94 PolarHBondContact O-N 3.4Å; A91-T95 WeakPolarHBondContact O-CB 3.28Å; A91-T95 PolarHBondContact O-N 2.79Å; A91-T95 PolarHBondContact O-OG1 3.02Å |
| 92 | D | 96.3 | Very high | 95.8 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 176 | -86.8 | 1.4 | 0 | 0 | 0 | 112.2 | Q88 D89 L90 K96 | Q88-D92 PolarHBondContact O-N 3.3Å; D89-D92 PolarHBondContact O-N 2.86Å; L90-D92 VanDerWaalsContact C-N 3.29Å; L90-D92 PolarHBondContact O-N 3.43Å; D92-K96 WeakPolarHBondContact O-CB 3.45Å; D92-K96 WeakPolarHBondContact O-CD 3.34Å; D92-K96 VanDerWaalsContact O-CG 3.24Å; D92-K96 WeakPolarHBondContact O-CG 3.48Å; D92-K96 PolarHBondContact O-N 2.86Å |
| 93 | I | 96.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 98.3 Ų | 98.3 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 174.4 | -68.4 | 165 | 0 | 0 | 0 | 110.3 | D89 L90 T95 K96 H97 | D89-I93 VanDerWaalsContact O-CG1 3.28Å; D89-I93 WeakPolarHBondContact O-CG1 3.34Å; D89-I93 PolarHBondContact O-N 2.93Å; L90-I93 PolarHBondContact O-N 3.28Å; I93-T95 VanDerWaalsContact C-N 3.35Å; I93-T95 PolarHBondContact O-N 3.24Å; I93-K96 WeakPolarHBondContact O-CB 3.38Å; I93-K96 PolarHBondContact O-N 2.81Å; I93-H97 PolarHBondContact O-N 2.94Å |
| 94 | D | 95 | Very high | 95.9 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 178.6 | -77 | -14.8 | 0 | 0 | 0 | 111.5 | L90 A91 K96 H97 V98 | L90-D94 PolarHBondContact O-N 2.98Å; A91-D94 PolarHBondContact O-N 3.4Å; D94-K96 VanDerWaalsContact C-N 3.31Å; D94-K96 PolarHBondContact O-N 3.06Å; D94-H97 PolarHBondContact O-N 3.34Å; D94-V98 WeakPolarHBondContact O-CG2 3.37Å; D94-V98 PolarHBondContact O-N 3.42Å |
| 95 | T | 95.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 100.1 Ų | 100.1 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | A91 I93 V98 M99 | A91-T95 WeakPolarHBondContact O-CB 3.28Å; A91-T95 PolarHBondContact O-N 2.79Å; A91-T95 PolarHBondContact O-OG1 3.02Å; I93-T95 VanDerWaalsContact C-N 3.35Å; I93-T95 PolarHBondContact O-N 3.24Å; T95-V98 PolarHBondContact O-N 3.2Å; T95-M99 HydrophobicContact CG2-CE 4.02Å; T95-M99 WeakPolarHBondContact O-CB 3.49Å; T95-M99 WeakPolarHBondContact O-CG 3.09Å; T95-M99 PolarHBondContact O-N 2.9Å |
| 96 | K | 96.9 | Very high | 96.1 | Very high | 129 Ų | 129 | 100 Ų | 100 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 174.9 | -74.6 | 166.2 | -173.2 | 162.3 | 0 | 112 | D92 I93 D94 M99 Q100 | D92-K96 WeakPolarHBondContact O-CB 3.45Å; D92-K96 WeakPolarHBondContact O-CD 3.34Å; D92-K96 VanDerWaalsContact O-CG 3.24Å; D92-K96 WeakPolarHBondContact O-CG 3.48Å; D92-K96 PolarHBondContact O-N 2.86Å; I93-K96 WeakPolarHBondContact O-CB 3.38Å; I93-K96 PolarHBondContact O-N 2.81Å; D94-K96 VanDerWaalsContact C-N 3.31Å; D94-K96 PolarHBondContact O-N 3.06Å; K96-M99 HydrophobicContact CG-CE 4.22Å; K96-M99 PolarHBondContact O-N 3.36Å; K96-Q100 WeakPolarHBondContact O-CB 3.44Å; K96-Q100 PolarHBondContact O-N 3.26Å |
| 97 | H | 96.4 | Very high | 96.2 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 178 | -179.8 | -103.3 | 0 | 0 | 0 | 111.7 | I93 D94 M99 Q100 Q101 | I93-H97 PolarHBondContact O-N 2.94Å; D94-H97 PolarHBondContact O-N 3.34Å; H97-M99 PolarHBondContact O-N 2.94Å; H97-Q100 PolarHBondContact O-N 2.81Å; H97-Q100 VanDerWaalsContact O-N 3.16Å; H97-Q101 VanDerWaalsContact CE1-CD 3.42Å; H97-Q101 PolarHBondContact CE1-NE2 3.43Å; H97-Q101 WeakPolarHBondContact O-CG 3.37Å; H97-Q101 PolarHBondContact O-N 3.23Å |
| 98 | V | 95.8 | Very high | 96.3 | Very high | 89 Ų | 89 | 103.3 Ų | 103.3 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | D94 T95 Q100 Q101 M102 | D94-V98 WeakPolarHBondContact O-CG2 3.37Å; D94-V98 PolarHBondContact O-N 3.42Å; T95-V98 PolarHBondContact O-N 3.2Å; V98-Q100 VanDerWaalsContact C-N 3.31Å; V98-Q100 PolarHBondContact O-N 2.91Å; V98-Q101 PolarHBondContact O-N 3.01Å; V98-M102 WeakPolarHBondContact O-CB 3.46Å; V98-M102 PolarHBondContact O-N 3.36Å |
| 99 | M | 96.5 | Very high | 96.3 | Very high | 100 Ų | 100 | 102.3 Ų | 102.3 | 49% | 0.493 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 175.2 | -78.8 | -169.9 | -70.1 | 0 | 0 | 112.3 | T95 K96 H97 M102 K103 | T95-M99 HydrophobicContact CG2-CE 4.02Å; T95-M99 WeakPolarHBondContact O-CB 3.49Å; T95-M99 WeakPolarHBondContact O-CG 3.09Å; T95-M99 PolarHBondContact O-N 2.9Å; K96-M99 HydrophobicContact CG-CE 4.22Å; K96-M99 PolarHBondContact O-N 3.36Å; H97-M99 PolarHBondContact O-N 2.94Å; M99-M102 PolarHBondContact O-N 3.22Å; M99-K103 WeakPolarHBondContact O-CG 3.3Å; M99-K103 PolarHBondContact O-N 3.39Å |
| 100 | Q | 96.6 | Very high | 96.4 | Very high | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 177.7 | -174 | 171.2 | 0.7 | 0 | 0 | 111.8 | K96 H97 V98 M102 K103 H104 | K96-Q100 WeakPolarHBondContact O-CB 3.44Å; K96-Q100 PolarHBondContact O-N 3.26Å; H97-Q100 PolarHBondContact O-N 2.81Å; H97-Q100 VanDerWaalsContact O-N 3.16Å; V98-Q100 VanDerWaalsContact C-N 3.31Å; V98-Q100 PolarHBondContact O-N 2.91Å; Q100-M102 VanDerWaalsContact C-N 3.33Å; Q100-M102 PolarHBondContact O-N 2.86Å; Q100-K103 PolarHBondContact O-N 3.11Å; Q100-H104 PolarHBondContact O-CD2 3.44Å; Q100-H104 VanDerWaalsContact O-CD2 3.23Å; Q100-H104 PolarHBondContact O-N 3.44Å |
| 101 | Q | 97 | Very high | 96.4 | Very high | 100 Ų | 100 | 102.3 Ų | 102.3 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 173.6 | -72.5 | -174.7 | -27 | 0 | 0 | 111.8 | H97 V98 K103 H104 L105 | H97-Q101 VanDerWaalsContact CE1-CD 3.42Å; H97-Q101 PolarHBondContact CE1-NE2 3.43Å; H97-Q101 WeakPolarHBondContact O-CG 3.37Å; H97-Q101 PolarHBondContact O-N 3.23Å; V98-Q101 PolarHBondContact O-N 3.01Å; Q101-K103 VanDerWaalsContact C-N 3.35Å; Q101-K103 PolarHBondContact O-N 3.2Å; Q101-H104 PolarHBondContact O-N 2.88Å; Q101-L105 WeakPolarHBondContact O-CG 3.36Å; Q101-L105 PolarHBondContact O-N 2.87Å |
| 102 | M | 96 | Very high | 96.5 | Very high | 115 Ų | 115 | 106 Ų | 106 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 176.7 | -170.3 | 179.5 | -174.3 | 0 | 0 | 111.8 | V98 M99 Q100 L105 Q106 | V98-M102 WeakPolarHBondContact O-CB 3.46Å; V98-M102 PolarHBondContact O-N 3.36Å; M99-M102 PolarHBondContact O-N 3.22Å; Q100-M102 VanDerWaalsContact C-N 3.33Å; Q100-M102 PolarHBondContact O-N 2.86Å; M102-L105 PolarHBondContact O-N 3.29Å; M102-Q106 WeakPolarHBondContact O-CB 3.43Å; M102-Q106 VanDerWaalsContact O-CG 3.32Å; M102-Q106 WeakPolarHBondContact O-CG 3.49Å; M102-Q106 PolarHBondContact O-N 3.04Å |
| 103 | K | 97 | Very high | 96.5 | Very high | 145 Ų | 145 | 105.9 Ų | 105.9 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 175 | -75.6 | 176.1 | -178.4 | 178 | 0 | 112.1 | M99 Q100 Q101 Q106 F107 | M99-K103 WeakPolarHBondContact O-CG 3.3Å; M99-K103 PolarHBondContact O-N 3.39Å; Q100-K103 PolarHBondContact O-N 3.11Å; Q101-K103 VanDerWaalsContact C-N 3.35Å; Q101-K103 PolarHBondContact O-N 3.2Å; K103-Q106 PolarHBondContact O-N 3.08Å; K103-F107 WeakPolarHBondContact O-CB 3.35Å; K103-F107 PolarHBondContact O-N 2.95Å |
| 104 | H | 96.5 | Very high | 96.5 | Very high | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 176.4 | -78.2 | -59.1 | 0 | 0 | 0 | 112 | Q100 Q101 Q106 F107 E108 | Q100-H104 PolarHBondContact O-CD2 3.44Å; Q100-H104 VanDerWaalsContact O-CD2 3.23Å; Q100-H104 PolarHBondContact O-N 3.44Å; Q101-H104 PolarHBondContact O-N 2.88Å; H104-Q106 VanDerWaalsContact C-N 3.32Å; H104-Q106 PolarHBondContact O-N 3.31Å; H104-F107 PolarHBondContact O-N 3.01Å; H104-E108 WeakPolarHBondContact O-CB 3.28Å; H104-E108 PolarHBondContact O-N 3.32Å |
| 105 | L | 97.1 | Very high | 96.5 | Very high | 98 Ų | 98 | 103.6 Ų | 103.6 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.5 | -78.6 | 166 | 0 | 0 | 0 | 112.4 | Q101 M102 N109 | Q101-L105 WeakPolarHBondContact O-CG 3.36Å; Q101-L105 PolarHBondContact O-N 2.87Å; M102-L105 PolarHBondContact O-N 3.29Å; L105-N109 WeakPolarHBondContact O-CB 3.48Å; L105-N109 PolarHBondContact O-N 2.83Å; L105-N109 PolarHBondContact O-ND2 3.28Å |
| 106 | Q | 96.5 | Very high | 96.5 | Very high | 115 Ų | 115 | 104.2 Ų | 104.2 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.6 | -77.3 | 179.5 | -13.6 | 0 | 0 | 112.1 | M102 K103 H104 H110 | M102-Q106 WeakPolarHBondContact O-CB 3.43Å; M102-Q106 VanDerWaalsContact O-CG 3.32Å; M102-Q106 WeakPolarHBondContact O-CG 3.49Å; M102-Q106 PolarHBondContact O-N 3.04Å; K103-Q106 PolarHBondContact O-N 3.08Å; H104-Q106 VanDerWaalsContact C-N 3.32Å; H104-Q106 PolarHBondContact O-N 3.31Å; Q106-H110 WeakPolarHBondContact O-CB 3.21Å; Q106-H110 PolarHBondContact O-N 3.18Å |
| 107 | F | 97.6 | Very high | 96.5 | Very high | 132 Ų | 132 | 106.1 Ų | 106.1 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 177.3 | -179.3 | -103 | 0 | 0 | 0 | 111.8 | K103 H104 H110 N111 | K103-F107 WeakPolarHBondContact O-CB 3.35Å; K103-F107 PolarHBondContact O-N 2.95Å; H104-F107 PolarHBondContact O-N 3.01Å; F107-H110 PolarHBondContact O-N 3.46Å; F107-N111 WeakPolarHBondContact CE1-ND2 3.39Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.36Å; F107-N111 PolarHBondContact O-N 3.24Å |
| 108 | E | 96.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 104 Ų | 104 | 36% | 0.36 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.2 | -172.3 | -178.8 | -178.6 | 0 | 0 | 111.6 | H104 H110 N111 R112 | H104-E108 WeakPolarHBondContact O-CB 3.28Å; H104-E108 PolarHBondContact O-N 3.32Å; E108-H110 VanDerWaalsContact C-N 3.34Å; E108-H110 PolarHBondContact O-N 3.3Å; E108-N111 PolarHBondContact O-N 3.43Å; E108-R112 WeakPolarHBondContact O-CB 3.4Å; E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 2.89Å; E108-R112 IonicContact OE1-CZ 3.91Å; E108-R112 IonicContact OE1-NE 2.69Å; E108-R112 IonicContact OE1-NH1 3.82Å; E108-R112 PolarHBondContact OE1-NH1 2.92Å; E108-R112 IonicContact OE1-NH2 2.84Å; E108-R112 PolarHBondContact OE1-NH2 2.93Å |
| 109 | N | 96.7 | Very high | 96.5 | Very high | 95 Ų | 95 | 105 Ų | 105 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 175 | -82.1 | -28.2 | 0 | 0 | 0 | 112.3 | L105 L113 | L105-N109 WeakPolarHBondContact O-CB 3.48Å; L105-N109 PolarHBondContact O-N 2.83Å; L105-N109 PolarHBondContact O-ND2 3.28Å; N109-L113 VanDerWaalsContact O-CB 3.31Å; N109-L113 WeakPolarHBondContact O-CB 3.37Å; N109-L113 PolarHBondContact O-N 2.96Å |
| 110 | H | 96.7 | Very high | 96.5 | Very high | 137 Ų | 137 | 102.9 Ų | 102.9 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 177.1 | -171.2 | 77.4 | 0 | 0 | 0 | 111.6 | Q106 F107 E108 L113 G114 | Q106-H110 WeakPolarHBondContact O-CB 3.21Å; Q106-H110 PolarHBondContact O-N 3.18Å; F107-H110 PolarHBondContact O-N 3.46Å; E108-H110 VanDerWaalsContact C-N 3.34Å; E108-H110 PolarHBondContact O-N 3.3Å; H110-L113 PolarHBondContact O-N 3.45Å; H110-G114 PolarHBondContact O-N 2.96Å |
| 111 | N | 96.2 | Very high | 96.5 | Very high | 65 Ų | 65 | 104.3 Ų | 104.3 | 35% | 0.348 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 176.8 | -74.2 | -8.1 | 0 | 0 | 0 | 111.8 | F107 E108 L113 G114 E115 | F107-N111 WeakPolarHBondContact CE1-ND2 3.39Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.36Å; F107-N111 PolarHBondContact O-N 3.24Å; E108-N111 PolarHBondContact O-N 3.43Å; N111-L113 VanDerWaalsContact C-N 3.29Å; N111-L113 PolarHBondContact O-N 3.34Å; N111-G114 CarbonylContact O-C 3.57Å; N111-G114 WeakPolarHBondContact O-CA 3.26Å; N111-G114 PolarHBondContact O-N 3.41Å; N111-E115 WeakPolarHBondContact O-CG 3.4Å; N111-E115 PolarHBondContact O-N 3.04Å |
| 112 | R | 96.3 | Very high | 96.4 | Very high | 127 Ų | 127 | 103.4 Ų | 103.4 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.2 | -42.4 | 175.9 | -77.4 | 179.3 | 174.2 | 150.3 | 3.9 | 112.1 | E108 G114 E115 V116 | E108-R112 WeakPolarHBondContact O-CB 3.4Å; E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 2.89Å; E108-R112 IonicContact OE1-CZ 3.91Å; E108-R112 IonicContact OE1-NE 2.69Å; E108-R112 IonicContact OE1-NH1 3.82Å; E108-R112 PolarHBondContact OE1-NH1 2.92Å; E108-R112 IonicContact OE1-NH2 2.84Å; E108-R112 PolarHBondContact OE1-NH2 2.93Å; R112-G114 VanDerWaalsContact C-N 3.29Å; R112-G114 PolarHBondContact O-N 3.41Å; R112-E115 PolarHBondContact O-N 3.41Å; R112-V116 VanDerWaalsContact O-CG2 3.32Å; R112-V116 WeakPolarHBondContact O-CG2 3.42Å; R112-V116 PolarHBondContact O-N 3.48Å |
| 113 | L | 96.4 | Very high | 96.4 | Very high | 89 Ų | 89 | 104.1 Ų | 104.1 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 176.2 | -169.1 | 73 | 0 | 0 | 0 | 111.5 | N109 H110 N111 R117 | N109-L113 VanDerWaalsContact O-CB 3.31Å; N109-L113 WeakPolarHBondContact O-CB 3.37Å; N109-L113 PolarHBondContact O-N 2.96Å; H110-L113 PolarHBondContact O-N 3.45Å; N111-L113 VanDerWaalsContact C-N 3.29Å; N111-L113 PolarHBondContact O-N 3.34Å; L113-R117 WeakPolarHBondContact O-CB 3.48Å; L113-R117 WeakPolarHBondContact O-CG 3.28Å; L113-R117 PolarHBondContact O-N 3.46Å |
| 114 | G | 96 | Very high | 96.4 | Very high | 41 Ų | 41 | 103 Ų | 103 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H110 N111 R112 R117 A118 | H110-G114 PolarHBondContact O-N 2.96Å; N111-G114 CarbonylContact O-C 3.57Å; N111-G114 WeakPolarHBondContact O-CA 3.26Å; N111-G114 PolarHBondContact O-N 3.41Å; R112-G114 VanDerWaalsContact C-N 3.29Å; R112-G114 PolarHBondContact O-N 3.41Å; G114-R117 PolarHBondContact O-N 3.46Å; G114-A118 WeakPolarHBondContact O-CB 3.35Å; G114-A118 PolarHBondContact O-N 2.83Å |
| 115 | E | 96.4 | Very high | 96.4 | Very high | 115 Ų | 115 | 103.7 Ų | 103.7 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 177.2 | -71.6 | 170.4 | 176.8 | 0 | 0 | 111.3 | N111 R112 R117 A118 E119 | N111-E115 WeakPolarHBondContact O-CG 3.4Å; N111-E115 PolarHBondContact O-N 3.04Å; R112-E115 PolarHBondContact O-N 3.41Å; E115-R117 VanDerWaalsContact C-N 3.29Å; E115-R117 PolarHBondContact O-N 2.93Å; E115-A118 WeakPolarHBondContact O-CB 3.5Å; E115-A118 PolarHBondContact O-N 3.07Å; E115-A118 VanDerWaalsContact O-N 3.08Å; E115-E119 WeakPolarHBondContact O-CG 3.39Å; E115-E119 PolarHBondContact O-N 3.44Å |
| 116 | V | 96.2 | Very high | 96.4 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | R112 A120 | R112-V116 VanDerWaalsContact O-CG2 3.32Å; R112-V116 WeakPolarHBondContact O-CG2 3.42Å; R112-V116 PolarHBondContact O-N 3.48Å; V116-A120 VanDerWaalsContact O-CB 3.28Å; V116-A120 WeakPolarHBondContact O-CB 3.47Å; V116-A120 PolarHBondContact O-N 2.86Å |
| 117 | R | 96.9 | Very high | 96.4 | Very high | 169 Ų | 169 | 100.9 Ų | 100.9 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | 175.4 | -77.8 | 175.3 | 179.8 | -171.3 | 1.1 | 112 | L113 G114 E115 M121 | L113-R117 WeakPolarHBondContact O-CB 3.48Å; L113-R117 WeakPolarHBondContact O-CG 3.28Å; L113-R117 PolarHBondContact O-N 3.46Å; G114-R117 PolarHBondContact O-N 3.46Å; E115-R117 VanDerWaalsContact C-N 3.29Å; E115-R117 PolarHBondContact O-N 2.93Å; R117-M121 WeakPolarHBondContact O-CB 3.42Å; R117-M121 PolarHBondContact O-N 3.23Å |
| 118 | A | 96.3 | Very high | 96.3 | Very high | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | G114 E115 M121 T122 | G114-A118 WeakPolarHBondContact O-CB 3.35Å; G114-A118 PolarHBondContact O-N 2.83Å; E115-A118 WeakPolarHBondContact O-CB 3.5Å; E115-A118 PolarHBondContact O-N 3.07Å; E115-A118 VanDerWaalsContact O-N 3.08Å; A118-M121 PolarHBondContact O-N 3.45Å; A118-T122 WeakPolarHBondContact O-CG2 3.5Å; A118-T122 PolarHBondContact O-N 2.97Å; A118-T122 PolarHBondContact O-OG1 2.87Å |
| 119 | E | 95.9 | Very high | 96.3 | Very high | 111 Ų | 111 | 101.7 Ų | 101.7 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.5 | -71.8 | 179.3 | 178.9 | 0 | 0 | 112.4 | E115 M121 T122 Q123 | E115-E119 WeakPolarHBondContact O-CG 3.39Å; E115-E119 PolarHBondContact O-N 3.44Å; E119-M121 VanDerWaalsContact C-N 3.27Å; E119-M121 PolarHBondContact O-N 3.47Å; E119-T122 WeakPolarHBondContact CA-OG1 3.32Å; E119-T122 PolarHBondContact O-N 3.07Å; E119-T122 PolarHBondContact O-OG1 3.45Å; E119-Q123 WeakPolarHBondContact O-CB 3.19Å; E119-Q123 VanDerWaalsContact O-CG 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.33Å; E119-Q123 PolarHBondContact O-N 3.19Å |
| 120 | A | 95.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 102 Ų | 102 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V116 L124 | V116-A120 VanDerWaalsContact O-CB 3.28Å; V116-A120 WeakPolarHBondContact O-CB 3.47Å; V116-A120 PolarHBondContact O-N 2.86Å; A120-L124 VanDerWaalsContact O-CB 3.32Å; A120-L124 WeakPolarHBondContact O-CB 3.43Å; A120-L124 PolarHBondContact O-N 2.84Å |
| 121 | M | 96.7 | Very high | 96.2 | Very high | 146 Ų | 146 | 101.2 Ų | 101.2 | 72% | 0.719 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.8 | -38.2 | 179.2 | -165.2 | 167 | -174.2 | 0 | 0 | 112.3 | R117 A118 E119 K125 | R117-M121 WeakPolarHBondContact O-CB 3.42Å; R117-M121 PolarHBondContact O-N 3.23Å; A118-M121 PolarHBondContact O-N 3.45Å; E119-M121 VanDerWaalsContact C-N 3.27Å; E119-M121 PolarHBondContact O-N 3.47Å; M121-K125 WeakPolarHBondContact O-CB 3.45Å; M121-K125 PolarHBondContact O-N 3.21Å |
| 122 | T | 96.4 | Very high | 96.2 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | A118 E119 L124 K125 L126 | A118-T122 WeakPolarHBondContact O-CG2 3.5Å; A118-T122 PolarHBondContact O-N 2.97Å; A118-T122 PolarHBondContact O-OG1 2.87Å; E119-T122 WeakPolarHBondContact CA-OG1 3.32Å; E119-T122 PolarHBondContact O-N 3.07Å; E119-T122 PolarHBondContact O-OG1 3.45Å; T122-L124 PolarHBondContact O-N 2.98Å; T122-K125 PolarHBondContact O-N 3.39Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 2.88Å |
| 123 | Q | 95.8 | Very high | 96.2 | Very high | 129 Ų | 129 | 100.6 Ų | 100.6 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 174.7 | -73.1 | 178.9 | 11 | 0 | 0 | 112.1 | E119 K125 L126 A127 | E119-Q123 WeakPolarHBondContact O-CB 3.19Å; E119-Q123 VanDerWaalsContact O-CG 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.33Å; E119-Q123 PolarHBondContact O-N 3.19Å; Q123-K125 VanDerWaalsContact C-N 3.31Å; Q123-K125 PolarHBondContact O-N 2.94Å; Q123-L126 PolarHBondContact O-N 3.01Å; Q123-A127 WeakPolarHBondContact O-CB 3.44Å; Q123-A127 PolarHBondContact O-N 3.48Å |
| 124 | L | 96.5 | Very high | 96.2 | Very high | 121 Ų | 121 | 100.3 Ų | 100.3 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 176.9 | -176.1 | 65.5 | 0 | 0 | 0 | 111.4 | A120 T122 A127 Q128 | A120-L124 VanDerWaalsContact O-CB 3.32Å; A120-L124 WeakPolarHBondContact O-CB 3.43Å; A120-L124 PolarHBondContact O-N 2.84Å; T122-L124 PolarHBondContact O-N 2.98Å; L124-A127 PolarHBondContact O-N 3.44Å; L124-Q128 WeakPolarHBondContact O-CB 3.38Å; L124-Q128 PolarHBondContact O-N 2.81Å |
| 125 | K | 96.8 | Very high | 96.2 | Very high | 128 Ų | 128 | 103.6 Ų | 103.6 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -43.9 | 177.9 | -169.1 | 175.9 | 179.1 | -175.3 | 0 | 112.1 | M121 T122 Q123 A127 Q128 E129 | M121-K125 WeakPolarHBondContact O-CB 3.45Å; M121-K125 PolarHBondContact O-N 3.21Å; T122-K125 PolarHBondContact O-N 3.39Å; Q123-K125 VanDerWaalsContact C-N 3.31Å; Q123-K125 PolarHBondContact O-N 2.94Å; K125-A127 VanDerWaalsContact C-N 3.34Å; K125-A127 PolarHBondContact O-N 2.73Å; K125-Q128 PolarHBondContact O-N 2.93Å; K125-E129 VanDerWaalsContact CE-OE1 3.31Å; K125-E129 WeakPolarHBondContact CE-OE1 3.33Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 3.39Å |
| 126 | L | 96.4 | Very high | 96.2 | Very high | 112 Ų | 112 | 101 Ų | 101 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 174.9 | -73.4 | 171 | 0 | 0 | 0 | 111.8 | T122 Q123 Q128 E129 H130 | T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 2.88Å; Q123-L126 PolarHBondContact O-N 3.01Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 3.4Å; L126-E129 PolarHBondContact O-N 3.22Å; L126-H130 WeakPolarHBondContact O-CB 3.45Å; L126-H130 PolarHBondContact O-N 3.48Å |
| 127 | A | 95.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 101.8 Ų | 101.8 | 35% | 0.347 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q123 L124 K125 H130 H131 | Q123-A127 WeakPolarHBondContact O-CB 3.44Å; Q123-A127 PolarHBondContact O-N 3.48Å; L124-A127 PolarHBondContact O-N 3.44Å; K125-A127 VanDerWaalsContact C-N 3.34Å; K125-A127 PolarHBondContact O-N 2.73Å; A127-H130 PolarHBondContact O-N 3.46Å; A127-H131 PolarHBondContact O-CD2 2.91Å; A127-H131 PolarHBondContact O-N 2.92Å |
| 128 | Q | 96.4 | Very high | 96.1 | Very high | 127 Ų | 127 | 99.4 Ų | 99.4 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 176.1 | -173 | 178.2 | 3.5 | 0 | 0 | 111.9 | L124 K125 L126 H130 H131 V132 | L124-Q128 WeakPolarHBondContact O-CB 3.38Å; L124-Q128 PolarHBondContact O-N 2.81Å; K125-Q128 PolarHBondContact O-N 2.93Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 3.4Å; Q128-H130 VanDerWaalsContact C-N 3.34Å; Q128-H130 PolarHBondContact O-N 2.88Å; Q128-H131 PolarHBondContact O-N 3.38Å; Q128-V132 WeakPolarHBondContact O-CG2 3.36Å; Q128-V132 PolarHBondContact O-N 3.17Å |
| 129 | E | 96.6 | Very high | 96.1 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.7 | -73.5 | 172.7 | -173.1 | 0 | 0 | 111.5 | K125 L126 V132 L133 | K125-E129 VanDerWaalsContact CE-OE1 3.31Å; K125-E129 WeakPolarHBondContact CE-OE1 3.33Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 3.39Å; L126-E129 PolarHBondContact O-N 3.22Å; E129-V132 PolarHBondContact O-N 3Å; E129-L133 WeakPolarHBondContact O-CG 3.45Å; E129-L133 PolarHBondContact O-N 2.98Å |
| 130 | H | 95.8 | Very high | 96.2 | Very high | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.7 | -177.3 | -97.1 | 0 | 0 | 0 | 112.5 | L126 A127 Q128 V132 L133 Q134 | L126-H130 WeakPolarHBondContact O-CB 3.45Å; L126-H130 PolarHBondContact O-N 3.48Å; A127-H130 PolarHBondContact O-N 3.46Å; Q128-H130 VanDerWaalsContact C-N 3.34Å; Q128-H130 PolarHBondContact O-N 2.88Å; H130-V132 VanDerWaalsContact C-N 3.34Å; H130-V132 PolarHBondContact O-N 3.37Å; H130-L133 PolarHBondContact O-N 3.12Å; H130-Q134 VanDerWaalsContact CE1-CD 3.47Å; H130-Q134 PolarHBondContact CE1-NE2 3.4Å; H130-Q134 WeakPolarHBondContact O-CG 3.47Å; H130-Q134 PolarHBondContact O-N 3.1Å |
| 131 | H | 94.7 | Very high | 96.2 | Very high | 119 Ų | 119 | 103.4 Ų | 103.4 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 175.1 | -79 | -53.8 | 0 | 0 | 0 | 112.5 | A127 Q128 L133 Q134 E135 | A127-H131 PolarHBondContact O-CD2 2.91Å; A127-H131 PolarHBondContact O-N 2.92Å; Q128-H131 PolarHBondContact O-N 3.38Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 2.95Å; H131-Q134 PolarHBondContact O-N 2.93Å; H131-E135 WeakPolarHBondContact O-CB 3.47Å; H131-E135 PolarHBondContact O-N 3.49Å |
| 132 | V | 97.1 | Very high | 96.2 | Very high | 70 Ų | 70 | 102.4 Ų | 102.4 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | Q128 E129 H130 E135 N136 | Q128-V132 WeakPolarHBondContact O-CG2 3.36Å; Q128-V132 PolarHBondContact O-N 3.17Å; E129-V132 PolarHBondContact O-N 3Å; H130-V132 VanDerWaalsContact C-N 3.34Å; H130-V132 PolarHBondContact O-N 3.37Å; V132-E135 PolarHBondContact O-N 3.15Å; V132-N136 WeakPolarHBondContact O-CB 3.04Å; V132-N136 PolarHBondContact O-N 3.04Å; V132-N136 PolarHBondContact O-ND2 3.49Å |
| 133 | L | 97 | Very high | 96.2 | Very high | 109 Ų | 109 | 105.2 Ų | 105.2 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -48.2 | 175.1 | -72.3 | 172.6 | 0 | 0 | 0 | 111.7 | E129 H130 H131 E135 N136 E137 | E129-L133 WeakPolarHBondContact O-CG 3.45Å; E129-L133 PolarHBondContact O-N 2.98Å; H130-L133 PolarHBondContact O-N 3.12Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 2.95Å; L133-E135 VanDerWaalsContact C-N 3.33Å; L133-E135 PolarHBondContact O-N 3.02Å; L133-N136 WeakPolarHBondContact O-CB 3.33Å; L133-N136 PolarHBondContact O-N 3.33Å; L133-E137 WeakPolarHBondContact O-CG 3.39Å; L133-E137 PolarHBondContact O-N 3.27Å |
| 134 | Q | 95.5 | Very high | 96.2 | Very high | 83 Ų | 83 | 104.7 Ų | 104.7 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.7 | -73.5 | -173 | -24.5 | 0 | 0 | 112.4 | H130 H131 N136 E137 L138 | H130-Q134 VanDerWaalsContact CE1-CD 3.47Å; H130-Q134 PolarHBondContact CE1-NE2 3.4Å; H130-Q134 WeakPolarHBondContact O-CG 3.47Å; H130-Q134 PolarHBondContact O-N 3.1Å; H131-Q134 PolarHBondContact O-N 2.93Å; Q134-N136 VanDerWaalsContact C-N 3.32Å; Q134-N136 PolarHBondContact O-N 3.01Å; Q134-E137 PolarHBondContact O-N 2.95Å; Q134-L138 WeakPolarHBondContact O-CG 3.5Å; Q134-L138 PolarHBondContact O-N 3.02Å |
| 135 | E | 95.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177 | -166.6 | -172 | 160.4 | 0 | 0 | 111.2 | H131 V132 L133 E137 L138 Q139 | H131-E135 WeakPolarHBondContact O-CB 3.47Å; H131-E135 PolarHBondContact O-N 3.49Å; V132-E135 PolarHBondContact O-N 3.15Å; L133-E135 VanDerWaalsContact C-N 3.33Å; L133-E135 PolarHBondContact O-N 3.02Å; E135-E137 PolarHBondContact O-N 3.39Å; E135-L138 PolarHBondContact O-N 3.15Å; E135-Q139 WeakPolarHBondContact O-CB 3.28Å; E135-Q139 VanDerWaalsContact O-CG 3.29Å; E135-Q139 WeakPolarHBondContact O-CG 3.48Å; E135-Q139 PolarHBondContact O-N 3.5Å; E135-Q139 PolarHBondContact OE1-NE2 2.94Å |
| 136 | N | 96.5 | Very high | 96.2 | Very high | 61 Ų | 61 | 104.8 Ų | 104.8 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.3 | -78 | -50 | 0 | 0 | 0 | 112.7 | V132 L133 Q134 Q139 R140 | V132-N136 WeakPolarHBondContact O-CB 3.04Å; V132-N136 PolarHBondContact O-N 3.04Å; V132-N136 PolarHBondContact O-ND2 3.49Å; L133-N136 WeakPolarHBondContact O-CB 3.33Å; L133-N136 PolarHBondContact O-N 3.33Å; Q134-N136 VanDerWaalsContact C-N 3.32Å; Q134-N136 PolarHBondContact O-N 3.01Å; N136-Q139 PolarHBondContact O-N 3.43Å; N136-R140 WeakPolarHBondContact O-CG 3.4Å; N136-R140 PolarHBondContact O-N 3.28Å |
| 137 | E | 96.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 107.2 Ų | 107.2 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -51.6 | 173.5 | -73.1 | 177.6 | 169.4 | 0 | 0 | 111.1 | L133 Q134 E135 Q139 R140 D141 | L133-E137 WeakPolarHBondContact O-CG 3.39Å; L133-E137 PolarHBondContact O-N 3.27Å; Q134-E137 PolarHBondContact O-N 2.95Å; E135-E137 PolarHBondContact O-N 3.39Å; E137-Q139 VanDerWaalsContact C-N 3.25Å; E137-Q139 PolarHBondContact O-N 3.33Å; E137-R140 WeakPolarHBondContact O-CA 3.48Å; E137-R140 WeakPolarHBondContact O-CB 3.33Å; E137-R140 PolarHBondContact O-N 3.07Å; E137-D141 PolarHBondContact O-N 3.49Å |
| 138 | L | 95.7 | Very high | 96.2 | Very high | 119 Ų | 119 | 109.2 Ų | 109.2 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.5 | -37.2 | 176.9 | -70.7 | 172.9 | 0 | 0 | 0 | 112.3 | Q134 E135 K142 | Q134-L138 WeakPolarHBondContact O-CG 3.5Å; Q134-L138 PolarHBondContact O-N 3.02Å; E135-L138 PolarHBondContact O-N 3.15Å; L138-K142 VanDerWaalsContact O-CB 3.23Å; L138-K142 WeakPolarHBondContact O-CB 3.25Å; L138-K142 PolarHBondContact O-N 3.03Å |
| 139 | Q | 96.6 | Very high | 96.1 | Very high | 74 Ų | 74 | 108.3 Ų | 108.3 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 174.4 | -73.8 | -174.6 | 15.9 | 0 | 0 | 112.7 | E135 N136 E137 R143 | E135-Q139 WeakPolarHBondContact O-CB 3.28Å; E135-Q139 VanDerWaalsContact O-CG 3.29Å; E135-Q139 WeakPolarHBondContact O-CG 3.48Å; E135-Q139 PolarHBondContact O-N 3.5Å; E135-Q139 PolarHBondContact OE1-NE2 2.94Å; N136-Q139 PolarHBondContact O-N 3.43Å; E137-Q139 VanDerWaalsContact C-N 3.25Å; E137-Q139 PolarHBondContact O-N 3.33Å; Q139-R143 WeakPolarHBondContact O-CG 3.39Å; Q139-R143 PolarHBondContact O-N 2.93Å; Q139-R143 VanDerWaalsContact O-N 3.14Å; Q139-R143 PolarHBondContact O-NE 2.92Å |
| 140 | R | 96.9 | Very high | 96.1 | Very high | 152 Ų | 152 | 109.5 Ų | 109.5 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -47.5 | 173.6 | -72.8 | 171.6 | -173.6 | 150.4 | 1.9 | 110.6 | N136 E137 K142 R143 Q144 | N136-R140 WeakPolarHBondContact O-CG 3.4Å; N136-R140 PolarHBondContact O-N 3.28Å; E137-R140 WeakPolarHBondContact O-CA 3.48Å; E137-R140 WeakPolarHBondContact O-CB 3.33Å; E137-R140 PolarHBondContact O-N 3.07Å; R140-K142 VanDerWaalsContact C-N 3.35Å; R140-K142 PolarHBondContact O-N 3.38Å; R140-R143 WeakPolarHBondContact O-CB 3.39Å; R140-R143 PolarHBondContact O-N 2.93Å; R140-Q144 PolarHBondContact O-N 3.14Å |
| 141 | D | 95.5 | Very high | 96.1 | Very high | 81 Ų | 81 | 109.2 Ų | 109.2 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 178.4 | -68.4 | -9.2 | 0 | 0 | 0 | 111.3 | E137 R143 Q144 L145 | E137-D141 PolarHBondContact O-N 3.49Å; D141-R143 VanDerWaalsContact C-N 3.29Å; D141-R143 PolarHBondContact O-N 3.27Å; D141-Q144 PolarHBondContact O-N 3.41Å; D141-Q144 VanDerWaalsContact O-N 3.16Å; D141-L145 WeakPolarHBondContact O-CB 3.21Å; D141-L145 WeakPolarHBondContact O-CG 3.38Å; D141-L145 PolarHBondContact O-N 3.43Å |
| 142 | K | 96.7 | Very high | 96.1 | Very high | 125 Ų | 125 | 113.1 Ų | 113.1 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | 174 | 179.9 | -179 | 175.8 | -179.4 | 0 | 112.1 | L138 R140 R146 | L138-K142 VanDerWaalsContact O-CB 3.23Å; L138-K142 WeakPolarHBondContact O-CB 3.25Å; L138-K142 PolarHBondContact O-N 3.03Å; R140-K142 VanDerWaalsContact C-N 3.35Å; R140-K142 PolarHBondContact O-N 3.38Å; K142-R146 WeakPolarHBondContact O-CB 3.42Å; K142-R146 VanDerWaalsContact O-CG 3.3Å; K142-R146 WeakPolarHBondContact O-CG 3.28Å; K142-R146 PolarHBondContact O-N 2.93Å; K142-R146 VanDerWaalsContact O-N 3.11Å |
| 143 | R | 96.2 | Very high | 95.9 | Very high | 139 Ų | 139 | 114.5 Ų | 114.5 | 53% | 0.525 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 176.9 | -77.3 | -178.2 | -73.3 | -111.2 | -4.4 | 111.5 | Q139 R140 D141 R146 R147 | Q139-R143 WeakPolarHBondContact O-CG 3.39Å; Q139-R143 PolarHBondContact O-N 2.93Å; Q139-R143 VanDerWaalsContact O-N 3.14Å; Q139-R143 PolarHBondContact O-NE 2.92Å; R140-R143 WeakPolarHBondContact O-CB 3.39Å; R140-R143 PolarHBondContact O-N 2.93Å; D141-R143 VanDerWaalsContact C-N 3.29Å; D141-R143 PolarHBondContact O-N 3.27Å; R143-R146 PolarHBondContact O-N 3.46Å; R143-R147 PolarHBondContact O-N 2.65Å; R143-R147 VanDerWaalsContact O-N 3.08Å |
| 144 | Q | 96.5 | Very high | 95.8 | Very high | 118 Ų | 118 | 115.3 Ų | 115.3 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | 178.1 | -174 | 170.7 | -5.7 | 0 | 0 | 111.8 | R140 D141 R146 R147 M148 | R140-Q144 PolarHBondContact O-N 3.14Å; D141-Q144 PolarHBondContact O-N 3.41Å; D141-Q144 VanDerWaalsContact O-N 3.16Å; Q144-R146 VanDerWaalsContact C-N 3.31Å; Q144-R146 PolarHBondContact O-N 3.46Å; Q144-R147 WeakPolarHBondContact O-CB 3.49Å; Q144-R147 PolarHBondContact O-N 2.81Å; Q144-M148 PolarHBondContact O-N 3.4Å |
| 145 | L | 95.5 | Very high | 95.8 | Very high | 107 Ų | 107 | 116 Ų | 116 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.5 | -42 | 174.9 | -73.5 | 167.9 | 0 | 0 | 0 | 111.8 | D141 R147 M148 L149 | D141-L145 WeakPolarHBondContact O-CB 3.21Å; D141-L145 WeakPolarHBondContact O-CG 3.38Å; D141-L145 PolarHBondContact O-N 3.43Å; L145-R147 VanDerWaalsContact C-N 3.32Å; L145-R147 PolarHBondContact O-N 3.42Å; L145-M148 HydrophobicContact CD2-CE 3.63Å; L145-M148 HydrophobicContact CG-CE 4.4Å; L145-M148 PolarHBondContact O-N 2.89Å; L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 PolarHBondContact O-N 3.47Å |
| 146 | R | 96.5 | Very high | 95.6 | Very high | 145 Ų | 145 | 113.6 Ų | 113.6 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 174.8 | -78 | 178.2 | 177.4 | -117.3 | -3.5 | 113 | K142 R143 Q144 R150 | K142-R146 WeakPolarHBondContact O-CB 3.42Å; K142-R146 VanDerWaalsContact O-CG 3.3Å; K142-R146 WeakPolarHBondContact O-CG 3.28Å; K142-R146 PolarHBondContact O-N 2.93Å; K142-R146 VanDerWaalsContact O-N 3.11Å; R143-R146 PolarHBondContact O-N 3.46Å; Q144-R146 VanDerWaalsContact C-N 3.31Å; Q144-R146 PolarHBondContact O-N 3.46Å; R146-R150 WeakPolarHBondContact O-CG 3.44Å; R146-R150 PolarHBondContact O-N 2.94Å |
| 147 | R | 96.5 | Very high | 95.5 | Very high | 162 Ų | 162 | 116.1 Ų | 116.1 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.3 | -50.1 | 174.1 | 179.3 | -178 | -78.8 | 171.1 | -5.5 | 110.6 | R143 Q144 L145 L149 R150 E151 | R143-R147 PolarHBondContact O-N 2.65Å; R143-R147 VanDerWaalsContact O-N 3.08Å; Q144-R147 WeakPolarHBondContact O-CB 3.49Å; Q144-R147 PolarHBondContact O-N 2.81Å; L145-R147 VanDerWaalsContact C-N 3.32Å; L145-R147 PolarHBondContact O-N 3.42Å; R147-L149 VanDerWaalsContact C-N 3.28Å; R147-L149 PolarHBondContact O-N 3.16Å; R147-R150 PolarHBondContact O-N 3.04Å; R147-R150 VanDerWaalsContact O-N 3.1Å; R147-E151 WeakPolarHBondContact CD-OE1 3.48Å; R147-E151 HydrophobicContact CG-CG 4.44Å; R147-E151 VanDerWaalsContact CG-OE1 3.22Å; R147-E151 WeakPolarHBondContact CG-OE1 3.11Å; R147-E151 PolarHBondContact O-N 2.93Å |
| 148 | M | 95.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 115.1 Ų | 115.1 | 42% | 0.419 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 178.8 | -68.2 | -167.7 | -58.3 | 0 | 0 | 112.7 | Q144 L145 R152 | Q144-M148 PolarHBondContact O-N 3.4Å; L145-M148 HydrophobicContact CD2-CE 3.63Å; L145-M148 HydrophobicContact CG-CE 4.4Å; L145-M148 PolarHBondContact O-N 2.89Å; M148-R152 WeakPolarHBondContact O-CB 3.33Å; M148-R152 WeakPolarHBondContact O-CG 3.38Å; M148-R152 PolarHBondContact O-N 3.09Å |
| 149 | L | 95.5 | Very high | 95.5 | Very high | 107 Ų | 107 | 115 Ų | 115 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.6 | -172.2 | 71.3 | 0 | 0 | 0 | 111.3 | L145 R147 R152 M153 | L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 PolarHBondContact O-N 3.47Å; R147-L149 VanDerWaalsContact C-N 3.28Å; R147-L149 PolarHBondContact O-N 3.16Å; L149-R152 PolarHBondContact O-N 3.18Å; L149-M153 HydrophobicContact CG-CE 4.24Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.94Å |
| 150 | R | 95.9 | Very high | 95.4 | Very high | 123 Ų | 123 | 115.6 Ų | 115.6 | 46% | 0.464 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 175.7 | -76.2 | -173.1 | -65.5 | -98.9 | -1.7 | 112 | R146 R147 R152 M153 E154 | R146-R150 WeakPolarHBondContact O-CG 3.44Å; R146-R150 PolarHBondContact O-N 2.94Å; R147-R150 PolarHBondContact O-N 3.04Å; R147-R150 VanDerWaalsContact O-N 3.1Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 2.87Å; R150-M153 HydrophobicContact CG-CE 4.17Å; R150-M153 PolarHBondContact O-N 3.37Å; R150-M153 VanDerWaalsContact O-N 3.11Å; R150-E154 WeakPolarHBondContact O-CG 3.42Å; R150-E154 PolarHBondContact O-N 2.84Å |
| 151 | E | 95.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 116.5 Ų | 116.5 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 178 | -71.6 | 168.2 | -175.4 | 0 | 0 | 111.6 | R147 E154 M155 | R147-E151 WeakPolarHBondContact CD-OE1 3.48Å; R147-E151 HydrophobicContact CG-CG 4.44Å; R147-E151 VanDerWaalsContact CG-OE1 3.22Å; R147-E151 WeakPolarHBondContact CG-OE1 3.11Å; R147-E151 PolarHBondContact O-N 2.93Å; E151-E154 PolarHBondContact O-N 3.04Å; E151-M155 WeakPolarHBondContact O-CB 3.43Å; E151-M155 VanDerWaalsContact O-CG 3.24Å; E151-M155 WeakPolarHBondContact O-CG 3.5Å; E151-M155 PolarHBondContact O-N 3.42Å |
| 152 | R | 94.4 | Very high | 95.3 | Very high | 200 Ų | 200 | 118.3 Ų | 118.3 | 76% | 0.755 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 174.7 | -81.1 | -169.9 | 176 | -142.7 | 1.1 | 113 | M148 L149 R150 S156 | M148-R152 WeakPolarHBondContact O-CB 3.33Å; M148-R152 WeakPolarHBondContact O-CG 3.38Å; M148-R152 PolarHBondContact O-N 3.09Å; L149-R152 PolarHBondContact O-N 3.18Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 2.87Å; R152-S156 WeakPolarHBondContact O-CB 3.42Å; R152-S156 PolarHBondContact O-N 3.3Å |
| 153 | M | 94.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 117.2 Ų | 117.2 | 49% | 0.493 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 177 | -72.1 | -175.3 | -58.6 | 0 | 0 | 111.2 | L149 R150 M155 S156 E157 | L149-M153 HydrophobicContact CG-CE 4.24Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.94Å; R150-M153 HydrophobicContact CG-CE 4.17Å; R150-M153 PolarHBondContact O-N 3.37Å; R150-M153 VanDerWaalsContact O-N 3.11Å; M153-M155 VanDerWaalsContact C-N 3.35Å; M153-M155 PolarHBondContact O-N 3.49Å; M153-S156 PolarHBondContact O-N 3.13Å; M153-E157 PolarHBondContact O-N 2.89Å |
| 154 | E | 94.7 | Very high | 95.1 | Very high | 126 Ų | 126 | 115.9 Ų | 115.9 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 176.9 | -72.1 | 171.1 | -169.4 | 0 | 0 | 111.7 | R150 E151 E157 M158 | R150-E154 WeakPolarHBondContact O-CG 3.42Å; R150-E154 PolarHBondContact O-N 2.84Å; E151-E154 PolarHBondContact O-N 3.04Å; E154-E157 PolarHBondContact O-N 3.17Å; E154-M158 WeakPolarHBondContact O-CB 3.13Å; E154-M158 PolarHBondContact O-N 3.02Å |
| 155 | M | 94.7 | Very high | 95.1 | Very high | 98 Ų | 98 | 113 Ų | 113 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 174.8 | -74.8 | -60.5 | -59.7 | 0 | 0 | 112.4 | E151 M153 M158 Q159 | E151-M155 WeakPolarHBondContact O-CB 3.43Å; E151-M155 VanDerWaalsContact O-CG 3.24Å; E151-M155 WeakPolarHBondContact O-CG 3.5Å; E151-M155 PolarHBondContact O-N 3.42Å; M153-M155 VanDerWaalsContact C-N 3.35Å; M153-M155 PolarHBondContact O-N 3.49Å; M155-M158 HydrophobicContact CE-CE 3.68Å; M155-M158 PolarHBondContact O-N 3.28Å; M155-M158 HydrophobicContact SD-CE 3.86Å; M155-Q159 WeakPolarHBondContact O-CG 3.5Å; M155-Q159 PolarHBondContact O-N 2.93Å |
| 156 | S | 92.4 | Very high | 95.1 | Very high | 58 Ų | 58 | 112.4 Ų | 112.4 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 176.9 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | R152 M153 M158 Q159 L160 | R152-S156 WeakPolarHBondContact O-CB 3.42Å; R152-S156 PolarHBondContact O-N 3.3Å; M153-S156 PolarHBondContact O-N 3.13Å; S156-M158 VanDerWaalsContact C-N 3.34Å; S156-Q159 PolarHBondContact O-N 3.27Å; S156-L160 PolarHBondContact O-N 3.39Å |
| 157 | E | 94.9 | Very high | 95 | Very high | 115 Ų | 115 | 111.6 Ų | 111.6 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 174.5 | -81.3 | -169.6 | 166 | 0 | 0 | 111.5 | M153 E154 Q159 L160 R161 | M153-E157 PolarHBondContact O-N 2.89Å; E154-E157 PolarHBondContact O-N 3.17Å; E157-Q159 VanDerWaalsContact C-N 3.34Å; E157-Q159 PolarHBondContact O-N 3.36Å; E157-L160 PolarHBondContact O-N 3.31Å; E157-R161 WeakPolarHBondContact O-CG 2.83Å; E157-R161 PolarHBondContact O-N 3.15Å |
| 158 | M | 95.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 109 Ų | 109 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.1 | -172.3 | -180 | 72.1 | 0 | 0 | 111.5 | E154 M155 S156 R161 Q162 | E154-M158 WeakPolarHBondContact O-CB 3.13Å; E154-M158 PolarHBondContact O-N 3.02Å; M155-M158 HydrophobicContact CE-CE 3.68Å; M155-M158 PolarHBondContact O-N 3.28Å; M155-M158 HydrophobicContact SD-CE 3.86Å; S156-M158 VanDerWaalsContact C-N 3.34Å; M158-R161 PolarHBondContact O-N 2.99Å; M158-Q162 WeakPolarHBondContact O-CB 3.38Å; M158-Q162 WeakPolarHBondContact O-CG 3.41Å; M158-Q162 PolarHBondContact O-N 3.15Å |
| 159 | Q | 94.9 | Very high | 95 | Very high | 117 Ų | 117 | 110 Ų | 110 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.5 | -74.9 | 175 | -16.8 | 0 | 0 | 112.1 | M155 S156 E157 Q162 M163 | M155-Q159 WeakPolarHBondContact O-CG 3.5Å; M155-Q159 PolarHBondContact O-N 2.93Å; S156-Q159 PolarHBondContact O-N 3.27Å; E157-Q159 VanDerWaalsContact C-N 3.34Å; E157-Q159 PolarHBondContact O-N 3.36Å; Q159-Q162 PolarHBondContact O-N 2.84Å; Q159-M163 WeakPolarHBondContact O-CB 3.44Å; Q159-M163 PolarHBondContact O-N 2.69Å |
| 160 | L | 94.4 | Very high | 95 | Very high | 86 Ų | 86 | 109 Ų | 109 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 174.2 | -97.1 | 149.4 | 0 | 0 | 0 | 111.6 | S156 E157 Q162 M163 E164 | S156-L160 PolarHBondContact O-N 3.39Å; E157-L160 PolarHBondContact O-N 3.31Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; L160-Q162 PolarHBondContact O-N 2.9Å; L160-M163 PolarHBondContact O-N 3.49Å; L160-M163 VanDerWaalsContact O-N 3.16Å; L160-E164 WeakPolarHBondContact O-CG 3.34Å; L160-E164 PolarHBondContact O-N 2.86Å |
| 161 | R | 95.2 | Very high | 94.9 | Very high | 172 Ų | 172 | 106.9 Ų | 106.9 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -39.9 | 177.3 | -72 | -176.6 | -169.9 | 176.7 | 8 | 112.7 | E157 M158 M163 A165 | E157-R161 WeakPolarHBondContact O-CG 2.83Å; E157-R161 PolarHBondContact O-N 3.15Å; M158-R161 PolarHBondContact O-N 2.99Å; R161-M163 VanDerWaalsContact C-N 3.34Å; R161-A165 WeakPolarHBondContact O-CB 3.31Å; R161-A165 PolarHBondContact O-N 3.44Å |
| 162 | Q | 95.3 | Very high | 95 | Very high | 118 Ų | 118 | 107.1 Ų | 107.1 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 175.3 | -76.3 | 176.2 | 3.1 | 0 | 0 | 111.4 | M158 Q159 L160 A165 H166 | M158-Q162 WeakPolarHBondContact O-CB 3.38Å; M158-Q162 WeakPolarHBondContact O-CG 3.41Å; M158-Q162 PolarHBondContact O-N 3.15Å; Q159-Q162 PolarHBondContact O-N 2.84Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; L160-Q162 PolarHBondContact O-N 2.9Å; Q162-A165 PolarHBondContact O-N 2.91Å; Q162-H166 WeakPolarHBondContact O-CB 3.33Å; Q162-H166 PolarHBondContact O-N 2.74Å |
| 163 | M | 94.7 | Very high | 95 | Very high | 102 Ų | 102 | 101.6 Ų | 101.6 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 178.2 | -163.4 | 174.6 | 72.8 | 0 | 0 | 111.7 | Q159 L160 R161 H166 F167 | Q159-M163 WeakPolarHBondContact O-CB 3.44Å; Q159-M163 PolarHBondContact O-N 2.69Å; L160-M163 PolarHBondContact O-N 3.49Å; L160-M163 VanDerWaalsContact O-N 3.16Å; R161-M163 VanDerWaalsContact C-N 3.34Å; M163-H166 PolarHBondContact O-N 3.37Å; M163-F167 HydrophobicContact CE-CE2 4.19Å; M163-F167 HydrophobicContact CG-CD2 3.85Å; M163-F167 HydrophobicContact CG-CE2 3.51Å; M163-F167 WeakPolarHBondContact O-CD2 3.32Å; M163-F167 PolarHBondContact O-N 2.9Å; M163-F167 HydrophobicContact SD-CE2 4Å |
| 164 | E | 94.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 173.6 | -73.9 | 175.8 | 169 | 0 | 0 | 112 | L160 H166 F167 N168 | L160-E164 WeakPolarHBondContact O-CG 3.34Å; L160-E164 PolarHBondContact O-N 2.86Å; E164-H166 VanDerWaalsContact C-N 3.33Å; E164-H166 PolarHBondContact O-N 3.43Å; E164-F167 PolarHBondContact O-N 3.24Å; E164-N168 WeakPolarHBondContact O-CB 3.35Å; E164-N168 VanDerWaalsContact O-CG 3.24Å; E164-N168 PolarHBondContact O-N 3.44Å; E164-N168 PolarHBondContact O-ND2 3.12Å |
| 165 | A | 95.7 | Very high | 95.1 | Very high | 59 Ų | 59 | 103.8 Ų | 103.8 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R161 Q162 N168 E169 | R161-A165 WeakPolarHBondContact O-CB 3.31Å; R161-A165 PolarHBondContact O-N 3.44Å; Q162-A165 PolarHBondContact O-N 2.91Å; A165-N168 PolarHBondContact O-N 2.95Å; A165-E169 PolarHBondContact O-N 2.98Å |
| 166 | H | 95.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 102.4 Ų | 102.4 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.6 | -174.1 | 61 | 0 | 0 | 0 | 112.6 | Q162 M163 E164 E169 K170 | Q162-H166 WeakPolarHBondContact O-CB 3.33Å; Q162-H166 PolarHBondContact O-N 2.74Å; M163-H166 PolarHBondContact O-N 3.37Å; E164-H166 VanDerWaalsContact C-N 3.33Å; E164-H166 PolarHBondContact O-N 3.43Å; H166-E169 IonicContact ND1-OE2 3.03Å; H166-E169 PolarHBondContact O-N 3.4Å; H166-K170 WeakPolarHBondContact O-CG 3.47Å; H166-K170 PolarHBondContact O-N 2.98Å |
| 167 | F | 93.9 | Very high | 95.4 | Very high | 127 Ų | 127 | 102.6 Ų | 102.6 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 175.9 | -79.7 | -57 | 0 | 0 | 0 | 112.3 | M163 E164 K170 L171 | M163-F167 HydrophobicContact CE-CE2 4.19Å; M163-F167 HydrophobicContact CG-CD2 3.85Å; M163-F167 HydrophobicContact CG-CE2 3.51Å; M163-F167 WeakPolarHBondContact O-CD2 3.32Å; M163-F167 PolarHBondContact O-N 2.9Å; M163-F167 HydrophobicContact SD-CE2 4Å; E164-F167 PolarHBondContact O-N 3.24Å; F167-K170 PolarHBondContact O-N 3.4Å; F167-L171 VanDerWaalsContact O-CB 3.31Å; F167-L171 WeakPolarHBondContact O-CB 3.38Å; F167-L171 PolarHBondContact O-N 2.92Å |
| 168 | N | 95.8 | Very high | 95.4 | Very high | 107 Ų | 107 | 103.3 Ų | 103.3 | 57% | 0.572 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -40.3 | 176.2 | -74.4 | -29.1 | 0 | 0 | 0 | 112 | E164 A165 L171 L172 | E164-N168 WeakPolarHBondContact O-CB 3.35Å; E164-N168 VanDerWaalsContact O-CG 3.24Å; E164-N168 PolarHBondContact O-N 3.44Å; E164-N168 PolarHBondContact O-ND2 3.12Å; A165-N168 PolarHBondContact O-N 2.95Å; N168-L171 PolarHBondContact O-N 3.5Å; N168-L172 WeakPolarHBondContact O-CB 3.47Å; N168-L172 PolarHBondContact O-N 2.87Å |
| 169 | E | 96.3 | Very high | 95.4 | Very high | 108 Ų | 108 | 103.6 Ų | 103.6 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 173.5 | -177.4 | -179.4 | -156 | 0 | 0 | 111.2 | A165 H166 L171 L172 E173 | A165-E169 PolarHBondContact O-N 2.98Å; H166-E169 IonicContact ND1-OE2 3.03Å; H166-E169 PolarHBondContact O-N 3.4Å; E169-L171 VanDerWaalsContact C-N 3.34Å; E169-L171 PolarHBondContact O-N 2.87Å; E169-L172 WeakPolarHBondContact O-CB 3.33Å; E169-L172 PolarHBondContact O-N 3.44Å; E169-L172 VanDerWaalsContact O-N 3.16Å; E169-E173 WeakPolarHBondContact O-CG 3.31Å; E169-E173 PolarHBondContact O-N 3.39Å |
| 170 | K | 95.8 | Very high | 95.4 | Very high | 85 Ų | 85 | 105.8 Ų | 105.8 | 37% | 0.37 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 178.2 | -69.1 | -71.2 | 154.3 | -147.2 | 0 | 112.8 | H166 F167 L172 E173 Q174 | H166-K170 WeakPolarHBondContact O-CG 3.47Å; H166-K170 PolarHBondContact O-N 2.98Å; F167-K170 PolarHBondContact O-N 3.4Å; K170-L172 VanDerWaalsContact C-N 3.35Å; K170-E173 WeakPolarHBondContact CD-OE2 3.38Å; K170-E173 IonicContact NZ-OE1 2.61Å; K170-E173 PolarHBondContact NZ-OE1 2.91Å; K170-E173 IonicContact NZ-OE2 2.97Å; K170-E173 PolarHBondContact NZ-OE2 3.06Å; K170-E173 PolarHBondContact O-N 2.86Å; K170-Q174 WeakPolarHBondContact O-CG 3.35Å; K170-Q174 PolarHBondContact O-N 3.11Å |
| 171 | L | 95 | Very high | 95.5 | Very high | 78 Ų | 78 | 107.1 Ų | 107.1 | 41% | 0.408 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.5 | -173 | 68.6 | 0 | 0 | 0 | 111.4 | F167 N168 E169 Q174 R175 | F167-L171 VanDerWaalsContact O-CB 3.31Å; F167-L171 WeakPolarHBondContact O-CB 3.38Å; F167-L171 PolarHBondContact O-N 2.92Å; N168-L171 PolarHBondContact O-N 3.5Å; E169-L171 VanDerWaalsContact C-N 3.34Å; E169-L171 PolarHBondContact O-N 2.87Å; L171-Q174 PolarHBondContact O-N 3.28Å; L171-R175 VanDerWaalsContact O-CG 3.31Å; L171-R175 WeakPolarHBondContact O-CG 3.25Å; L171-R175 PolarHBondContact O-N 3.35Å |
| 172 | L | 95.7 | Very high | 95.5 | Very high | 103 Ų | 103 | 105 Ų | 105 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 175.9 | -178.4 | 63.2 | 0 | 0 | 0 | 111.4 | N168 E169 K170 Q174 R175 I176 | N168-L172 WeakPolarHBondContact O-CB 3.47Å; N168-L172 PolarHBondContact O-N 2.87Å; E169-L172 WeakPolarHBondContact O-CB 3.33Å; E169-L172 PolarHBondContact O-N 3.44Å; E169-L172 VanDerWaalsContact O-N 3.16Å; K170-L172 VanDerWaalsContact C-N 3.35Å; L172-Q174 VanDerWaalsContact C-N 3.33Å; L172-Q174 PolarHBondContact O-N 3.33Å; L172-R175 PolarHBondContact O-N 2.93Å; L172-I176 HydrophobicContact CD1-CD1 4.25Å; L172-I176 HydrophobicContact CD1-CG1 4.42Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.47Å |
| 173 | E | 95.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 104.4 Ų | 104.4 | 39% | 0.393 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.3 | -49.4 | 173.6 | -74.5 | 176.2 | 177.6 | 0 | 0 | 111 | E169 K170 R175 I176 T177 | E169-E173 WeakPolarHBondContact O-CG 3.31Å; E169-E173 PolarHBondContact O-N 3.39Å; K170-E173 WeakPolarHBondContact CD-OE2 3.38Å; K170-E173 IonicContact NZ-OE1 2.61Å; K170-E173 PolarHBondContact NZ-OE1 2.91Å; K170-E173 IonicContact NZ-OE2 2.97Å; K170-E173 PolarHBondContact NZ-OE2 3.06Å; K170-E173 PolarHBondContact O-N 2.86Å; E173-R175 PolarHBondContact O-N 3.5Å; E173-I176 PolarHBondContact O-N 3.3Å; E173-T177 WeakPolarHBondContact O-CG2 3.35Å; E173-T177 PolarHBondContact O-N 2.88Å; E173-T177 PolarHBondContact O-OG1 3.47Å |
| 174 | Q | 95.6 | Very high | 95.5 | Very high | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 177.7 | -75.5 | -174.7 | -10.6 | 0 | 0 | 113.2 | K170 L171 L172 I176 T177 F178 | K170-Q174 WeakPolarHBondContact O-CG 3.35Å; K170-Q174 PolarHBondContact O-N 3.11Å; L171-Q174 PolarHBondContact O-N 3.28Å; L172-Q174 VanDerWaalsContact C-N 3.33Å; L172-Q174 PolarHBondContact O-N 3.33Å; Q174-I176 VanDerWaalsContact C-N 3.35Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.17Å; Q174-T177 PolarHBondContact O-N 2.97Å; Q174-T177 PolarHBondContact O-OG1 3.34Å; Q174-F178 WeakPolarHBondContact O-CD2 3.37Å; Q174-F178 PolarHBondContact O-N 3.03Å |
| 175 | R | 95.7 | Very high | 95.5 | Very high | 160 Ų | 160 | 103.1 Ų | 103.1 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 175.1 | -76.9 | 173.3 | -176.5 | -96.6 | 1.9 | 111.1 | L171 L172 E173 F178 E179 | L171-R175 VanDerWaalsContact O-CG 3.31Å; L171-R175 WeakPolarHBondContact O-CG 3.25Å; L171-R175 PolarHBondContact O-N 3.35Å; L172-R175 PolarHBondContact O-N 2.93Å; E173-R175 PolarHBondContact O-N 3.5Å; R175-F178 PolarHBondContact O-N 3.32Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 PolarHBondContact O-N 3.43Å |
| 176 | I | 96 | Very high | 95.3 | Very high | 68 Ų | 68 | 105 Ų | 105 | 35% | 0.349 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.4 | -67.6 | 167.8 | 0 | 0 | 0 | 110.6 | L172 E173 Q174 E179 R180 | L172-I176 HydrophobicContact CD1-CD1 4.25Å; L172-I176 HydrophobicContact CD1-CG1 4.42Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.47Å; E173-I176 PolarHBondContact O-N 3.3Å; Q174-I176 VanDerWaalsContact C-N 3.35Å; I176-E179 PolarHBondContact O-N 2.82Å; I176-R180 WeakPolarHBondContact O-CG 3.39Å; I176-R180 PolarHBondContact O-N 2.99Å |
| 177 | T | 95.9 | Very high | 95.3 | Very high | 63 Ų | 63 | 106.4 Ų | 106.4 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | E173 Q174 E179 R180 E181 | E173-T177 WeakPolarHBondContact O-CG2 3.35Å; E173-T177 PolarHBondContact O-N 2.88Å; E173-T177 PolarHBondContact O-OG1 3.47Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.17Å; Q174-T177 PolarHBondContact O-N 2.97Å; Q174-T177 PolarHBondContact O-OG1 3.34Å; T177-E179 VanDerWaalsContact C-N 3.29Å; T177-E179 PolarHBondContact O-N 3.44Å; T177-R180 WeakPolarHBondContact O-CB 3.41Å; T177-R180 PolarHBondContact O-N 3.42Å; T177-E181 WeakPolarHBondContact O-CG 3.49Å; T177-E181 PolarHBondContact O-N 2.91Å |
| 178 | F | 95.2 | Very high | 95.4 | Very high | 129 Ų | 129 | 104.1 Ų | 104.1 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.5 | -34.4 | 177.8 | -74.6 | -48.6 | 0 | 0 | 0 | 112.8 | Q174 R175 E181 R182 | Q174-F178 WeakPolarHBondContact O-CD2 3.37Å; Q174-F178 PolarHBondContact O-N 3.03Å; R175-F178 PolarHBondContact O-N 3.32Å; F178-E181 WeakPolarHBondContact CD1-OE2 3.41Å; F178-R182 VanDerWaalsContact O-CB 3.25Å; F178-R182 WeakPolarHBondContact O-CB 3.4Å; F178-R182 PolarHBondContact O-N 2.96Å |
| 179 | E | 95.5 | Very high | 95.3 | Very high | 92 Ų | 92 | 103.7 Ų | 103.7 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.3 | -36 | 176.7 | -168 | 171.3 | -171.9 | 0 | 0 | 112.2 | R175 I176 T177 K183 | R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 PolarHBondContact O-N 3.43Å; I176-E179 PolarHBondContact O-N 2.82Å; T177-E179 VanDerWaalsContact C-N 3.29Å; T177-E179 PolarHBondContact O-N 3.44Å; E179-K183 WeakPolarHBondContact O-CG 3.5Å; E179-K183 PolarHBondContact O-N 3.44Å; E179-K183 VanDerWaalsContact O-N 3.11Å; E179-K183 IonicContact OE1-NZ 3.1Å |
| 180 | R | 95.7 | Very high | 95.2 | Very high | 162 Ų | 162 | 104.1 Ų | 104.1 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.7 | -51.9 | 170.9 | -73 | 176.7 | -173.2 | 164.6 | 3.2 | 111.1 | I176 T177 R182 K183 D184 | I176-R180 WeakPolarHBondContact O-CG 3.39Å; I176-R180 PolarHBondContact O-N 2.99Å; T177-R180 WeakPolarHBondContact O-CB 3.41Å; T177-R180 PolarHBondContact O-N 3.42Å; R180-R182 VanDerWaalsContact C-N 3.26Å; R180-R182 PolarHBondContact O-N 3.43Å; R180-K183 PolarHBondContact O-N 3.48Å; R180-D184 PolarHBondContact O-N 2.88Å |
| 181 | E | 95.8 | Very high | 95.2 | Very high | 115 Ų | 115 | 106.5 Ų | 106.5 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 178.5 | -72.9 | 177.2 | 172.7 | 0 | 0 | 111.8 | T177 F178 D184 N185 | T177-E181 WeakPolarHBondContact O-CG 3.49Å; T177-E181 PolarHBondContact O-N 2.91Å; F178-E181 WeakPolarHBondContact CD1-OE2 3.41Å; E181-D184 PolarHBondContact O-N 3.38Å; E181-N185 WeakPolarHBondContact O-CB 3.17Å; E181-N185 PolarHBondContact O-N 2.95Å |
| 182 | R | 95 | Very high | 95.1 | Very high | 127 Ų | 127 | 107.3 Ų | 107.3 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.8 | -176.8 | -176 | 69.1 | 109.1 | -8.2 | 111.8 | F178 R180 N185 E186 | F178-R182 VanDerWaalsContact O-CB 3.25Å; F178-R182 WeakPolarHBondContact O-CB 3.4Å; F178-R182 PolarHBondContact O-N 2.96Å; R180-R182 VanDerWaalsContact C-N 3.26Å; R180-R182 PolarHBondContact O-N 3.43Å; R182-N185 PolarHBondContact O-N 3.27Å; R182-E186 HydrophobicContact CG-CG 4.49Å; R182-E186 WeakPolarHBondContact CG-OE1 3.46Å; R182-E186 IonicContact CZ-OE1 3.26Å; R182-E186 IonicContact NE-OE1 2.7Å; R182-E186 IonicContact NH1-OE1 2.63Å; R182-E186 PolarHBondContact NH1-OE1 3Å; R182-E186 IonicContact NH1-OE2 3.98Å; R182-E186 WeakPolarHBondContact O-CB 3.3Å; R182-E186 WeakPolarHBondContact O-CG 3.43Å; R182-E186 PolarHBondContact O-N 3.02Å |
| 183 | K | 95.7 | Very high | 95 | Very high | 106 Ų | 106 | 107.9 Ų | 107.9 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 179.1 | -76.6 | 176.9 | -179 | 173.6 | 0 | 111.8 | E179 R180 N185 E186 M187 | E179-K183 WeakPolarHBondContact O-CG 3.5Å; E179-K183 PolarHBondContact O-N 3.44Å; E179-K183 VanDerWaalsContact O-N 3.11Å; E179-K183 IonicContact OE1-NZ 3.1Å; R180-K183 PolarHBondContact O-N 3.48Å; K183-N185 VanDerWaalsContact C-N 3.29Å; K183-N185 PolarHBondContact O-N 2.96Å; K183-E186 PolarHBondContact O-N 3.37Å; K183-M187 WeakPolarHBondContact O-CG 3.46Å; K183-M187 PolarHBondContact O-N 3.28Å |
| 184 | D | 95 | Very high | 95 | Very high | 97 Ų | 97 | 108.8 Ų | 108.8 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.8 | -66.9 | -16.8 | 0 | 0 | 0 | 111 | R180 E181 M187 L188 | R180-D184 PolarHBondContact O-N 2.88Å; E181-D184 PolarHBondContact O-N 3.38Å; D184-M187 PolarHBondContact O-N 2.9Å; D184-L188 WeakPolarHBondContact O-CB 3.46Å; D184-L188 PolarHBondContact O-N 3.02Å |
| 185 | N | 94.3 | Very high | 94.9 | Very high | 88 Ų | 88 | 108.1 Ų | 108.1 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 176.7 | -159.1 | -74 | 0 | 0 | 0 | 112.1 | E181 R182 K183 L188 H189 | E181-N185 WeakPolarHBondContact O-CB 3.17Å; E181-N185 PolarHBondContact O-N 2.95Å; R182-N185 PolarHBondContact O-N 3.27Å; K183-N185 VanDerWaalsContact C-N 3.29Å; K183-N185 PolarHBondContact O-N 2.96Å; N185-L188 PolarHBondContact O-N 2.91Å; N185-H189 PolarHBondContact O-CD2 3.2Å; N185-H189 PolarHBondContact O-N 3.44Å; N185-H189 PolarHBondContact OD1-CD2 3.43Å; N185-H189 PolarHBondContact OD1-NE2 3.32Å; N185-H189 VanDerWaalsContact OD1-NE2 3.15Å |
| 186 | E | 92.6 | Very high | 94.8 | Very high | 98 Ų | 98 | 105.9 Ų | 105.9 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 173.3 | -77.2 | 171.7 | -169.8 | 0 | 0 | 111 | R182 K183 L188 H189 E190 | R182-E186 HydrophobicContact CG-CG 4.49Å; R182-E186 WeakPolarHBondContact CG-OE1 3.46Å; R182-E186 IonicContact CZ-OE1 3.26Å; R182-E186 IonicContact NE-OE1 2.7Å; R182-E186 IonicContact NH1-OE1 2.63Å; R182-E186 PolarHBondContact NH1-OE1 3Å; R182-E186 IonicContact NH1-OE2 3.98Å; R182-E186 WeakPolarHBondContact O-CB 3.3Å; R182-E186 WeakPolarHBondContact O-CG 3.43Å; R182-E186 PolarHBondContact O-N 3.02Å; K183-E186 PolarHBondContact O-N 3.37Å; E186-L188 PolarHBondContact O-N 3.42Å; E186-H189 PolarHBondContact O-N 3.23Å; E186-E190 WeakPolarHBondContact O-CB 3.46Å; E186-E190 PolarHBondContact O-N 3.12Å |
| 187 | M | 95.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 109.1 Ų | 109.1 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 176.9 | -72.5 | -163.8 | -55.6 | 0 | 0 | 112.5 | K183 D184 H189 E190 E191 | K183-M187 WeakPolarHBondContact O-CG 3.46Å; K183-M187 PolarHBondContact O-N 3.28Å; D184-M187 PolarHBondContact O-N 2.9Å; M187-H189 VanDerWaalsContact C-N 3.29Å; M187-H189 PolarHBondContact O-N 3.42Å; M187-E190 PolarHBondContact O-N 3.39Å; M187-E191 WeakPolarHBondContact O-CB 3.24Å; M187-E191 PolarHBondContact O-N 2.96Å |
| 188 | L | 95.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 108.9 Ų | 108.9 | 41% | 0.414 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 178 | 179.7 | 67.2 | 0 | 0 | 0 | 111.9 | D184 N185 E186 K192 | D184-L188 WeakPolarHBondContact O-CB 3.46Å; D184-L188 PolarHBondContact O-N 3.02Å; N185-L188 PolarHBondContact O-N 2.91Å; E186-L188 PolarHBondContact O-N 3.42Å; L188-K192 WeakPolarHBondContact O-CG 3.44Å; L188-K192 PolarHBondContact O-N 2.95Å; L188-K192 VanDerWaalsContact O-N 3.15Å |
| 189 | H | 92.4 | Very high | 94.7 | Very high | 98 Ų | 98 | 108.5 Ų | 108.5 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.1 | -37.7 | 177.8 | -77.3 | -59 | 0 | 0 | 0 | 112.4 | N185 E186 M187 K192 M193 | N185-H189 PolarHBondContact O-CD2 3.2Å; N185-H189 PolarHBondContact O-N 3.44Å; N185-H189 PolarHBondContact OD1-CD2 3.43Å; N185-H189 PolarHBondContact OD1-NE2 3.32Å; N185-H189 VanDerWaalsContact OD1-NE2 3.15Å; E186-H189 PolarHBondContact O-N 3.23Å; M187-H189 VanDerWaalsContact C-N 3.29Å; M187-H189 PolarHBondContact O-N 3.42Å; H189-K192 PolarHBondContact O-N 2.95Å; H189-M193 VanDerWaalsContact O-CG 3.28Å; H189-M193 WeakPolarHBondContact O-CG 3.33Å; H189-M193 PolarHBondContact O-N 3.01Å |
| 190 | E | 94.8 | Very high | 94.5 | Very high | 117 Ų | 117 | 108.4 Ų | 108.4 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 174.7 | -167.4 | 63.4 | -156.7 | 0 | 0 | 111.2 | E186 M187 K192 M193 I194 | E186-E190 WeakPolarHBondContact O-CB 3.46Å; E186-E190 PolarHBondContact O-N 3.12Å; M187-E190 PolarHBondContact O-N 3.39Å; E190-K192 PolarHBondContact O-N 2.95Å; E190-M193 WeakPolarHBondContact O-CB 3.38Å; E190-M193 PolarHBondContact O-N 3.3Å; E190-M193 VanDerWaalsContact O-N 3.14Å; E190-I194 HydrophobicContact CG-CD1 4.31Å; E190-I194 WeakPolarHBondContact O-CG1 3.41Å; E190-I194 PolarHBondContact O-N 3.12Å |
| 191 | E | 95.4 | Very high | 94.4 | Very high | 136 Ų | 136 | 105.2 Ų | 105.2 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.8 | -45.8 | 175.8 | -173.3 | 179.4 | -170.4 | 0 | 0 | 111.4 | M187 M193 I194 E195 | M187-E191 WeakPolarHBondContact O-CB 3.24Å; M187-E191 PolarHBondContact O-N 2.96Å; E191-M193 VanDerWaalsContact C-N 3.32Å; E191-M193 PolarHBondContact O-N 2.93Å; E191-I194 PolarHBondContact O-N 3.33Å; E191-E195 WeakPolarHBondContact O-CB 3.46Å; E191-E195 PolarHBondContact O-N 3.2Å |
| 192 | K | 94.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 175.1 | -76.8 | 175.1 | -179.7 | 174.7 | 0 | 112.6 | L188 H189 E190 E195 Q196 | L188-K192 WeakPolarHBondContact O-CG 3.44Å; L188-K192 PolarHBondContact O-N 2.95Å; L188-K192 VanDerWaalsContact O-N 3.15Å; H189-K192 PolarHBondContact O-N 2.95Å; E190-K192 PolarHBondContact O-N 2.95Å; K192-E195 PolarHBondContact O-N 3.43Å; K192-Q196 WeakPolarHBondContact O-CB 3.45Å; K192-Q196 VanDerWaalsContact O-CG 3.28Å; K192-Q196 WeakPolarHBondContact O-CG 3.39Å; K192-Q196 PolarHBondContact O-N 3.26Å |
| 193 | M | 92.7 | Very high | 94.2 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 177.3 | -74.4 | -63.5 | -71 | 0 | 0 | 111.4 | H189 E190 E191 Q196 K197 | H189-M193 VanDerWaalsContact O-CG 3.28Å; H189-M193 WeakPolarHBondContact O-CG 3.33Å; H189-M193 PolarHBondContact O-N 3.01Å; E190-M193 WeakPolarHBondContact O-CB 3.38Å; E190-M193 PolarHBondContact O-N 3.3Å; E190-M193 VanDerWaalsContact O-N 3.14Å; E191-M193 VanDerWaalsContact C-N 3.32Å; E191-M193 PolarHBondContact O-N 2.93Å; M193-Q196 PolarHBondContact O-N 2.69Å; M193-K197 WeakPolarHBondContact O-CB 3.45Å; M193-K197 PolarHBondContact O-N 3.44Å |
| 194 | I | 95.1 | Very high | 93.9 | Very high | 104 Ų | 104 | 106.7 Ų | 106.7 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 174.9 | -67 | 168.2 | 0 | 0 | 0 | 110.5 | E190 E191 Q196 K197 A198 | E190-I194 HydrophobicContact CG-CD1 4.31Å; E190-I194 WeakPolarHBondContact O-CG1 3.41Å; E190-I194 PolarHBondContact O-N 3.12Å; E191-I194 PolarHBondContact O-N 3.33Å; I194-Q196 PolarHBondContact O-N 2.94Å; I194-K197 PolarHBondContact O-N 3.03Å; I194-A198 WeakPolarHBondContact O-CB 3.34Å; I194-A198 PolarHBondContact O-N 3.42Å |
| 195 | E | 95.1 | Very high | 93.9 | Very high | 98 Ų | 98 | 104 Ų | 104 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 178.5 | -166.8 | -162.8 | 169 | 0 | 0 | 111.6 | E191 K192 K197 A198 K199 | E191-E195 WeakPolarHBondContact O-CB 3.46Å; E191-E195 PolarHBondContact O-N 3.2Å; K192-E195 PolarHBondContact O-N 3.43Å; E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.39Å; E195-A198 PolarHBondContact O-N 3.09Å; E195-K199 WeakPolarHBondContact O-CG 3.43Å; E195-K199 PolarHBondContact O-N 3.16Å; E195-K199 WeakPolarHBondContact OE1-CE 3.41Å; E195-K199 IonicContact OE1-NZ 3.71Å; E195-K199 PolarHBondContact OE1-NZ 2.91Å; E195-K199 IonicContact OE2-NZ 3.98Å |
| 196 | Q | 93.9 | Very high | 93.8 | Very high | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 175.9 | -76.5 | -178.8 | -4.2 | 0 | 0 | 112.1 | K192 M193 I194 K199 L200 | K192-Q196 WeakPolarHBondContact O-CB 3.45Å; K192-Q196 VanDerWaalsContact O-CG 3.28Å; K192-Q196 WeakPolarHBondContact O-CG 3.39Å; K192-Q196 PolarHBondContact O-N 3.26Å; M193-Q196 PolarHBondContact O-N 2.69Å; I194-Q196 PolarHBondContact O-N 2.94Å; Q196-K199 PolarHBondContact O-N 2.97Å; Q196-L200 PolarHBondContact O-N 3.48Å |
| 197 | K | 94.4 | Very high | 93.7 | Very high | 137 Ų | 137 | 101.8 Ų | 101.8 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | 176.5 | -165.3 | 178.9 | -179.1 | -176.2 | 0 | 111.3 | M193 I194 E195 K199 L200 D201 | M193-K197 WeakPolarHBondContact O-CB 3.45Å; M193-K197 PolarHBondContact O-N 3.44Å; I194-K197 PolarHBondContact O-N 3.03Å; E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.39Å; K197-K199 VanDerWaalsContact C-N 3.32Å; K197-K199 PolarHBondContact O-N 3.47Å; K197-L200 PolarHBondContact O-N 2.93Å; K197-D201 VanDerWaalsContact O-CG 3.32Å; K197-D201 PolarHBondContact O-N 3.44Å |
| 198 | A | 94.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 100.9 Ų | 100.9 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I194 E195 D201 L202 | I194-A198 WeakPolarHBondContact O-CB 3.34Å; I194-A198 PolarHBondContact O-N 3.42Å; E195-A198 PolarHBondContact O-N 3.09Å; A198-D201 PolarHBondContact O-N 3.42Å; A198-L202 WeakPolarHBondContact O-CB 3.44Å; A198-L202 PolarHBondContact O-N 3.04Å |
| 199 | K | 94.1 | Very high | 93.3 | Very high | 121 Ų | 121 | 103.1 Ų | 103.1 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 174.3 | -74.8 | 173.4 | -175.8 | 167.7 | 0 | 112.3 | E195 Q196 K197 F203 | E195-K199 WeakPolarHBondContact O-CG 3.43Å; E195-K199 PolarHBondContact O-N 3.16Å; E195-K199 WeakPolarHBondContact OE1-CE 3.41Å; E195-K199 IonicContact OE1-NZ 3.71Å; E195-K199 PolarHBondContact OE1-NZ 2.91Å; E195-K199 IonicContact OE2-NZ 3.98Å; Q196-K199 PolarHBondContact O-N 2.97Å; K197-K199 VanDerWaalsContact C-N 3.32Å; K197-K199 PolarHBondContact O-N 3.47Å; K199-F203 WeakPolarHBondContact O-CB 3.32Å; K199-F203 PolarHBondContact O-N 3.37Å |
| 200 | L | 92.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 175.8 | -80.8 | 163.6 | 0 | 0 | 0 | 111.4 | Q196 K197 L202 F203 Y204 | Q196-L200 PolarHBondContact O-N 3.48Å; K197-L200 PolarHBondContact O-N 2.93Å; L200-L202 VanDerWaalsContact C-N 3.33Å; L200-L202 PolarHBondContact O-N 2.83Å; L200-F203 PolarHBondContact O-N 3.42Å; L200-Y204 HydrophobicContact CB-CD2 4.48Å; L200-Y204 HydrophobicContact CB-CE2 4.38Å; L200-Y204 HydrophobicContact CD2-CE2 4.29Å; L200-Y204 WeakPolarHBondContact O-CD2 3.39Å; L200-Y204 PolarHBondContact O-N 3.22Å |
| 201 | D | 93.2 | Very high | 93.2 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.7 | -69.7 | -21.3 | 0 | 0 | 0 | 111.3 | K197 A198 Y204 G205 | K197-D201 VanDerWaalsContact O-CG 3.32Å; K197-D201 PolarHBondContact O-N 3.44Å; A198-D201 PolarHBondContact O-N 3.42Å; D201-Y204 PolarHBondContact O-N 3.46Å; D201-G205 PolarHBondContact O-N 3.48Å |
| 202 | L | 93.9 | Very high | 93 | Very high | 123 Ų | 123 | 98.4 Ų | 98.4 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 173.1 | -178.9 | 64.6 | 0 | 0 | 0 | 111.5 | A198 L200 Y204 G205 T206 | A198-L202 WeakPolarHBondContact O-CB 3.44Å; A198-L202 PolarHBondContact O-N 3.04Å; L200-L202 VanDerWaalsContact C-N 3.33Å; L200-L202 PolarHBondContact O-N 2.83Å; L202-Y204 PolarHBondContact O-N 2.84Å; L202-G205 PolarHBondContact O-N 3.09Å; L202-T206 PolarHBondContact O-N 2.96Å; L202-T206 PolarHBondContact O-OG1 3.48Å; L202-T206 VanDerWaalsContact O-OG1 3.07Å |
| 203 | F | 93 | Very high | 92.8 | Very high | 123 Ų | 123 | 98.4 Ų | 98.4 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 178.5 | 179 | -113.7 | 0 | 0 | 0 | 112.2 | K199 L200 Q207 | K199-F203 WeakPolarHBondContact O-CB 3.32Å; K199-F203 PolarHBondContact O-N 3.37Å; L200-F203 PolarHBondContact O-N 3.42Å; F203-Q207 PolarHBondContact O-N 2.95Å |
| 204 | Y | 90.2 | Very high | 92.8 | Very high | 133 Ų | 133 | 100.2 Ų | 100.2 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 173.5 | -75.7 | -58.4 | 0 | 0 | 0 | 111.8 | L200 D201 L202 Q207 M208 | L200-Y204 HydrophobicContact CB-CD2 4.48Å; L200-Y204 HydrophobicContact CB-CE2 4.38Å; L200-Y204 HydrophobicContact CD2-CE2 4.29Å; L200-Y204 WeakPolarHBondContact O-CD2 3.39Å; L200-Y204 PolarHBondContact O-N 3.22Å; D201-Y204 PolarHBondContact O-N 3.46Å; L202-Y204 PolarHBondContact O-N 2.84Å; Y204-Q207 PolarHBondContact O-N 3.34Å; Y204-M208 WeakPolarHBondContact O-CG 3.23Å; Y204-M208 PolarHBondContact O-N 2.83Å |
| 205 | G | 93.6 | Very high | 92.7 | Very high | 40 Ų | 40 | 101 Ų | 101 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D201 L202 M208 F209 | D201-G205 PolarHBondContact O-N 3.48Å; L202-G205 PolarHBondContact O-N 3.09Å; G205-M208 PolarHBondContact O-N 3.26Å; G205-F209 PolarHBondContact O-N 3.35Å |
| 206 | T | 92.8 | Very high | 92.5 | Very high | 67 Ų | 67 | 100.6 Ų | 100.6 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | L202 M208 F209 E210 | L202-T206 PolarHBondContact O-N 2.96Å; L202-T206 PolarHBondContact O-OG1 3.48Å; L202-T206 VanDerWaalsContact O-OG1 3.07Å; T206-M208 VanDerWaalsContact C-N 3.34Å; T206-M208 PolarHBondContact O-N 3.32Å; T206-F209 PolarHBondContact O-N 3.35Å; T206-E210 WeakPolarHBondContact O-CG 3.48Å; T206-E210 PolarHBondContact O-N 3Å |
| 207 | Q | 91.2 | Very high | 92.4 | Very high | 73 Ų | 73 | 99.8 Ų | 99.8 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.8 | -81.8 | -169.7 | 63.2 | 0 | 0 | 113 | F203 Y204 E210 V211 | F203-Q207 PolarHBondContact O-N 2.95Å; Y204-Q207 PolarHBondContact O-N 3.34Å; Q207-E210 PolarHBondContact O-N 3.29Å; Q207-V211 VanDerWaalsContact O-CG2 3.28Å; Q207-V211 WeakPolarHBondContact O-CG2 3.24Å; Q207-V211 PolarHBondContact O-N 3.46Å |
| 208 | M | 90.8 | Very high | 92.3 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 175.8 | -72.1 | -57.4 | 101.9 | 0 | 0 | 110.9 | Y204 G205 T206 E210 V211 E212 | Y204-M208 WeakPolarHBondContact O-CG 3.23Å; Y204-M208 PolarHBondContact O-N 2.83Å; G205-M208 PolarHBondContact O-N 3.26Å; T206-M208 VanDerWaalsContact C-N 3.34Å; T206-M208 PolarHBondContact O-N 3.32Å; M208-E210 PolarHBondContact O-N 3.19Å; M208-V211 PolarHBondContact O-N 2.92Å; M208-E212 WeakPolarHBondContact O-CG 3.43Å; M208-E212 PolarHBondContact O-N 2.97Å |
| 209 | F | 92.2 | Very high | 92.1 | Very high | 127 Ų | 127 | 101.2 Ų | 101.2 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 176.3 | -174 | -96.8 | 0 | 0 | 0 | 112.2 | G205 T206 V211 E212 E213 | G205-F209 PolarHBondContact O-N 3.35Å; T206-F209 PolarHBondContact O-N 3.35Å; F209-V211 VanDerWaalsContact C-N 3.31Å; F209-V211 PolarHBondContact O-N 2.94Å; F209-E212 PolarHBondContact O-N 3.37Å; F209-E213 HydrophobicContact CD1-CG 4.18Å; F209-E213 HydrophobicContact CE1-CG 3.67Å; F209-E213 HydrophobicContact CZ-CG 3.87Å; F209-E213 PolarHBondContact O-N 2.88Å |
| 210 | E | 92.1 | Very high | 92 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 175.4 | -75.1 | 178.9 | -173.8 | 0 | 0 | 113.1 | T206 Q207 M208 R214 | T206-E210 WeakPolarHBondContact O-CG 3.48Å; T206-E210 PolarHBondContact O-N 3Å; Q207-E210 PolarHBondContact O-N 3.29Å; M208-E210 PolarHBondContact O-N 3.19Å; E210-R214 WeakPolarHBondContact O-CB 3.33Å; E210-R214 WeakPolarHBondContact O-CG 3.49Å; E210-R214 PolarHBondContact O-N 3.44Å; E210-R214 VanDerWaalsContact O-N 3.11Å; E210-R214 PolarHBondContact O-NE 3.46Å |
| 211 | V | 91.8 | Very high | 92 | Very high | 37 Ų | 37 | 99.7 Ų | 99.7 | 22% | 0.224 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | Q207 M208 F209 R214 K215 | Q207-V211 VanDerWaalsContact O-CG2 3.28Å; Q207-V211 WeakPolarHBondContact O-CG2 3.24Å; Q207-V211 PolarHBondContact O-N 3.46Å; M208-V211 PolarHBondContact O-N 2.92Å; F209-V211 VanDerWaalsContact C-N 3.31Å; F209-V211 PolarHBondContact O-N 2.94Å; V211-R214 VanDerWaalsContact CG2-NH2 3.25Å; V211-R214 PolarHBondContact O-N 3.16Å; V211-K215 HydrophobicContact CG1-CD 4.16Å; V211-K215 WeakPolarHBondContact O-CG 3.34Å; V211-K215 PolarHBondContact O-N 3.4Å |
| 212 | E | 91.7 | Very high | 91.9 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.3 | -76.2 | 179.7 | 176.7 | 0 | 0 | 111.6 | M208 F209 R214 K215 N216 | M208-E212 WeakPolarHBondContact O-CG 3.43Å; M208-E212 PolarHBondContact O-N 2.97Å; F209-E212 PolarHBondContact O-N 3.37Å; E212-R214 PolarHBondContact O-N 3.45Å; E212-K215 WeakPolarHBondContact O-CB 3.33Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 VanDerWaalsContact O-N 3.15Å; E212-N216 WeakPolarHBondContact O-CB 3.47Å; E212-N216 VanDerWaalsContact O-CG 3.26Å; E212-N216 PolarHBondContact O-N 3.06Å; E212-N216 PolarHBondContact O-ND2 2.63Å |
| 213 | E | 90.9 | Very high | 91.7 | Very high | 96 Ų | 96 | 99.7 Ų | 99.7 | 45% | 0.449 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175 | -83.6 | -63.9 | 114.1 | 0 | 0 | 111.9 | F209 K215 N216 Q217 | F209-E213 HydrophobicContact CD1-CG 4.18Å; F209-E213 HydrophobicContact CE1-CG 3.67Å; F209-E213 HydrophobicContact CZ-CG 3.87Å; F209-E213 PolarHBondContact O-N 2.88Å; E213-K215 VanDerWaalsContact C-N 3.32Å; E213-K215 PolarHBondContact O-N 2.94Å; E213-N216 PolarHBondContact O-N 3.41Å; E213-Q217 WeakPolarHBondContact O-CB 3.48Å; E213-Q217 PolarHBondContact O-N 3.47Å |
| 214 | R | 91.9 | Very high | 91.7 | Very high | 151 Ų | 151 | 97.9 Ų | 97.9 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.5 | -40.7 | 174.7 | -81.7 | -176.4 | -80.7 | 124.5 | -9.9 | 112.5 | E210 V211 E212 Q218 | E210-R214 WeakPolarHBondContact O-CB 3.33Å; E210-R214 WeakPolarHBondContact O-CG 3.49Å; E210-R214 PolarHBondContact O-N 3.44Å; E210-R214 VanDerWaalsContact O-N 3.11Å; E210-R214 PolarHBondContact O-NE 3.46Å; V211-R214 VanDerWaalsContact CG2-NH2 3.25Å; V211-R214 PolarHBondContact O-N 3.16Å; E212-R214 PolarHBondContact O-N 3.45Å; R214-Q218 WeakPolarHBondContact O-CB 3.38Å; R214-Q218 PolarHBondContact O-N 3.28Å |
| 215 | K | 92 | Very high | 91.6 | Very high | 122 Ų | 122 | 98 Ų | 98 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 176.5 | -74.8 | 173.9 | 178.1 | 178.3 | 0 | 111.7 | V211 E212 E213 Q217 Q218 I219 | V211-K215 HydrophobicContact CG1-CD 4.16Å; V211-K215 WeakPolarHBondContact O-CG 3.34Å; V211-K215 PolarHBondContact O-N 3.4Å; E212-K215 WeakPolarHBondContact O-CB 3.33Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 VanDerWaalsContact O-N 3.15Å; E213-K215 VanDerWaalsContact C-N 3.32Å; E213-K215 PolarHBondContact O-N 2.94Å; K215-Q217 VanDerWaalsContact C-N 3.34Å; K215-Q218 PolarHBondContact O-N 3.25Å; K215-I219 VanDerWaalsContact O-CG1 3.3Å; K215-I219 WeakPolarHBondContact O-CG1 3.4Å; K215-I219 PolarHBondContact O-N 2.91Å |
| 216 | N | 91.8 | Very high | 91.4 | Very high | 89 Ų | 89 | 101.9 Ų | 101.9 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 177.7 | -72.7 | -19.8 | 0 | 0 | 0 | 111.2 | E212 E213 I219 K220 | E212-N216 WeakPolarHBondContact O-CB 3.47Å; E212-N216 VanDerWaalsContact O-CG 3.26Å; E212-N216 PolarHBondContact O-N 3.06Å; E212-N216 PolarHBondContact O-ND2 2.63Å; E213-N216 PolarHBondContact O-N 3.41Å; N216-I219 PolarHBondContact O-N 2.7Å; N216-K220 WeakPolarHBondContact O-CB 3.29Å; N216-K220 PolarHBondContact O-N 2.87Å |
| 217 | Q | 92.2 | Very high | 91.3 | Very high | 95 Ų | 95 | 103.4 Ų | 103.4 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 173.6 | -172.5 | 59 | 50.3 | 0 | 0 | 111.1 | E213 K215 I219 K220 D221 | E213-Q217 WeakPolarHBondContact O-CB 3.48Å; E213-Q217 PolarHBondContact O-N 3.47Å; K215-Q217 VanDerWaalsContact C-N 3.34Å; Q217-I219 VanDerWaalsContact C-N 3.35Å; Q217-I219 PolarHBondContact O-N 3.02Å; Q217-K220 WeakPolarHBondContact O-CB 3.48Å; Q217-K220 PolarHBondContact O-N 2.91Å; Q217-D221 PolarHBondContact NE2-OD1 3.24Å; Q217-D221 PolarHBondContact O-N 3.29Å |
| 218 | Q | 91.7 | Very high | 91.2 | Very high | 136 Ų | 136 | 105.2 Ų | 105.2 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 176.1 | -173.6 | -179.4 | 9.7 | 0 | 0 | 112.6 | R214 K215 K220 D221 L222 | R214-Q218 WeakPolarHBondContact O-CB 3.38Å; R214-Q218 PolarHBondContact O-N 3.28Å; K215-Q218 PolarHBondContact O-N 3.25Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; Q218-D221 PolarHBondContact O-N 3.36Å; Q218-L222 WeakPolarHBondContact O-CB 3.49Å; Q218-L222 PolarHBondContact O-N 3.01Å |
| 219 | I | 90.1 | Very high | 91.1 | Very high | 89 Ų | 89 | 102.9 Ų | 102.9 | 46% | 0.456 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.2 | -71.3 | 165.4 | 0 | 0 | 0 | 109.9 | K215 N216 Q217 L222 Q223 | K215-I219 VanDerWaalsContact O-CG1 3.3Å; K215-I219 WeakPolarHBondContact O-CG1 3.4Å; K215-I219 PolarHBondContact O-N 2.91Å; N216-I219 PolarHBondContact O-N 2.7Å; Q217-I219 VanDerWaalsContact C-N 3.35Å; Q217-I219 PolarHBondContact O-N 3.02Å; I219-L222 PolarHBondContact O-N 3.4Å; I219-Q223 WeakPolarHBondContact O-CG 3.49Å; I219-Q223 PolarHBondContact O-N 2.88Å |
| 220 | K | 92.2 | Very high | 90.9 | Very high | 111 Ų | 111 | 103.5 Ų | 103.5 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 177.8 | -173.1 | -178.1 | 177.7 | -175.7 | 0 | 111.5 | N216 Q217 Q218 L222 Q223 D224 | N216-K220 WeakPolarHBondContact O-CB 3.29Å; N216-K220 PolarHBondContact O-N 2.87Å; Q217-K220 WeakPolarHBondContact O-CB 3.48Å; Q217-K220 PolarHBondContact O-N 2.91Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 2.9Å; K220-Q223 WeakPolarHBondContact O-CB 3.28Å; K220-Q223 PolarHBondContact O-N 2.88Å; K220-Q223 VanDerWaalsContact O-N 3.12Å; K220-D224 PolarHBondContact O-N 2.73Å |
| 221 | D | 91.9 | Very high | 90.7 | Very high | 69 Ų | 69 | 102.7 Ų | 102.7 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 177.2 | -64.1 | -16.2 | 0 | 0 | 0 | 110.9 | Q217 Q218 D224 H225 | Q217-D221 PolarHBondContact NE2-OD1 3.24Å; Q217-D221 PolarHBondContact O-N 3.29Å; Q218-D221 PolarHBondContact O-N 3.36Å; D221-D224 PolarHBondContact O-N 3.14Å; D221-H225 WeakPolarHBondContact O-CB 3.43Å; D221-H225 PolarHBondContact O-N 2.77Å; D221-H225 PolarHBondContact O-ND1 3.25Å |
| 222 | L | 91.4 | Very high | 90.4 | Very high | 102 Ų | 102 | 105.2 Ų | 105.2 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 177.3 | -163.2 | 73.8 | 0 | 0 | 0 | 111.9 | Q218 I219 K220 H225 H226 | Q218-L222 WeakPolarHBondContact O-CB 3.49Å; Q218-L222 PolarHBondContact O-N 3.01Å; I219-L222 PolarHBondContact O-N 3.4Å; K220-L222 PolarHBondContact O-N 2.9Å; L222-H225 PolarHBondContact O-N 3.44Å; L222-H226 WeakPolarHBondContact O-CB 3.31Å; L222-H226 PolarHBondContact O-CD2 2.93Å; L222-H226 PolarHBondContact O-N 2.85Å |
| 223 | Q | 90.5 | Very high | 90 | Very high | 115 Ų | 115 | 104.7 Ų | 104.7 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 173.2 | -74.7 | 176.7 | -32.7 | 0 | 0 | 111.1 | I219 K220 H225 H226 D227 | I219-Q223 WeakPolarHBondContact O-CG 3.49Å; I219-Q223 PolarHBondContact O-N 2.88Å; K220-Q223 WeakPolarHBondContact O-CB 3.28Å; K220-Q223 PolarHBondContact O-N 2.88Å; K220-Q223 VanDerWaalsContact O-N 3.12Å; Q223-H225 VanDerWaalsContact C-N 3.32Å; Q223-H225 PolarHBondContact O-N 3.3Å; Q223-H226 WeakPolarHBondContact O-CB 3.48Å; Q223-H226 PolarHBondContact O-N 3.39Å; Q223-H226 VanDerWaalsContact O-N 3.12Å; Q223-D227 PolarHBondContact O-N 3.41Å |
| 224 | D | 91.6 | Very high | 89.8 | Confident | 85 Ų | 85 | 106 Ų | 106 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 178.6 | -69.9 | -18.2 | 0 | 0 | 0 | 111.2 | K220 D221 D227 L228 | K220-D224 PolarHBondContact O-N 2.73Å; D221-D224 PolarHBondContact O-N 3.14Å; D224-D227 PolarHBondContact O-N 3.16Å; D224-L228 WeakPolarHBondContact O-CB 3.4Å; D224-L228 PolarHBondContact O-N 2.92Å |
| 225 | H | 89.5 | Confident | 89.4 | Confident | 135 Ų | 135 | 102.9 Ų | 102.9 | 63% | 0.625 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 174.2 | -80.5 | 78.2 | 0 | 0 | 0 | 112.5 | D221 L222 Q223 L228 A229 | D221-H225 WeakPolarHBondContact O-CB 3.43Å; D221-H225 PolarHBondContact O-N 2.77Å; D221-H225 PolarHBondContact O-ND1 3.25Å; L222-H225 PolarHBondContact O-N 3.44Å; Q223-H225 VanDerWaalsContact C-N 3.32Å; Q223-H225 PolarHBondContact O-N 3.3Å; H225-L228 PolarHBondContact O-N 3.44Å; H225-A229 VanDerWaalsContact O-CB 3.29Å; H225-A229 WeakPolarHBondContact O-CB 3.24Å; H225-A229 PolarHBondContact O-N 3.34Å |
| 226 | H | 89.6 | Confident | 89 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 177 | -82.1 | -148.2 | 0 | 0 | 0 | 111.5 | L222 Q223 L228 A229 F230 | L222-H226 WeakPolarHBondContact O-CB 3.31Å; L222-H226 PolarHBondContact O-CD2 2.93Å; L222-H226 PolarHBondContact O-N 2.85Å; Q223-H226 WeakPolarHBondContact O-CB 3.48Å; Q223-H226 PolarHBondContact O-N 3.39Å; Q223-H226 VanDerWaalsContact O-N 3.12Å; H226-L228 VanDerWaalsContact C-N 3.34Å; H226-A229 PolarHBondContact O-N 2.93Å; H226-F230 WeakPolarHBondContact O-CB 3.42Å; H226-F230 PolarHBondContact O-N 3.46Å |
| 227 | D | 89.2 | Confident | 88.5 | Confident | 100 Ų | 100 | 105.4 Ų | 105.4 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 176.8 | -78.8 | -16 | 0 | 0 | 0 | 111.5 | Q223 D224 F230 N231 | Q223-D227 PolarHBondContact O-N 3.41Å; D224-D227 PolarHBondContact O-N 3.16Å; D227-F230 PolarHBondContact O-N 3.49Å; D227-N231 WeakPolarHBondContact O-CB 3.33Å; D227-N231 PolarHBondContact O-N 2.94Å; D227-N231 PolarHBondContact O-ND2 3.25Å |
| 228 | L | 90.4 | Very high | 88.1 | Confident | 110 Ų | 110 | 105.3 Ų | 105.3 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -47.9 | 175.4 | -158.7 | 131.1 | 0 | 0 | 0 | 111.1 | D224 H225 H226 F230 N231 D232 | D224-L228 WeakPolarHBondContact O-CB 3.4Å; D224-L228 PolarHBondContact O-N 2.92Å; H225-L228 PolarHBondContact O-N 3.44Å; H226-L228 VanDerWaalsContact C-N 3.34Å; L228-F230 VanDerWaalsContact C-N 3.31Å; L228-F230 PolarHBondContact O-N 2.93Å; L228-N231 PolarHBondContact O-N 3.32Å; L228-D232 WeakPolarHBondContact O-CB 3.33Å; L228-D232 PolarHBondContact O-N 2.93Å |
| 229 | A | 87.8 | Confident | 87.6 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H225 H226 D232 M233 | H225-A229 VanDerWaalsContact O-CB 3.29Å; H225-A229 WeakPolarHBondContact O-CB 3.24Å; H225-A229 PolarHBondContact O-N 3.34Å; H226-A229 PolarHBondContact O-N 2.93Å; A229-D232 PolarHBondContact O-N 3.41Å; A229-M233 VanDerWaalsContact O-CB 3.24Å; A229-M233 WeakPolarHBondContact O-CB 3.49Å; A229-M233 PolarHBondContact O-N 2.86Å |
| 230 | F | 88.8 | Confident | 87 | Confident | 140 Ų | 140 | 102 Ų | 102 | 61% | 0.614 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 175.2 | -177.9 | -96.3 | 0 | 0 | 0 | 111.3 | H226 D227 L228 M233 K234 | H226-F230 WeakPolarHBondContact O-CB 3.42Å; H226-F230 PolarHBondContact O-N 3.46Å; D227-F230 PolarHBondContact O-N 3.49Å; L228-F230 VanDerWaalsContact C-N 3.31Å; L228-F230 PolarHBondContact O-N 2.93Å; F230-M233 PolarHBondContact O-N 3.48Å; F230-K234 VanDerWaalsContact O-CB 3.23Å; F230-K234 WeakPolarHBondContact O-CB 3.37Å; F230-K234 PolarHBondContact O-N 3.18Å |
| 231 | N | 87.5 | Confident | 86.3 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 174.1 | -84.4 | -33 | 0 | 0 | 0 | 112.1 | D227 L228 M233 K234 N235 | D227-N231 WeakPolarHBondContact O-CB 3.33Å; D227-N231 PolarHBondContact O-N 2.94Å; D227-N231 PolarHBondContact O-ND2 3.25Å; L228-N231 PolarHBondContact O-N 3.32Å; N231-M233 VanDerWaalsContact C-N 3.35Å; N231-K234 PolarHBondContact O-N 2.96Å; N231-N235 WeakPolarHBondContact O-CB 3.42Å; N231-N235 PolarHBondContact O-N 3.49Å; N231-N235 PolarHBondContact O-ND2 2.98Å |
| 232 | D | 86.3 | Confident | 85.7 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.1 | -74.1 | -13.6 | 0 | 0 | 0 | 111.2 | L228 A229 N235 Y236 | L228-D232 WeakPolarHBondContact O-CB 3.33Å; L228-D232 PolarHBondContact O-N 2.93Å; A229-D232 PolarHBondContact O-N 3.41Å; D232-N235 PolarHBondContact O-N 2.77Å; D232-Y236 VanDerWaalsContact O-CB 3.28Å; D232-Y236 WeakPolarHBondContact O-CB 3.33Å; D232-Y236 PolarHBondContact O-N 3.34Å |
| 233 | M | 82.7 | Confident | 84.9 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 50% | 0.498 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.2 | -169.6 | 165.4 | -157.6 | 0 | 0 | 111.5 | A229 F230 N231 Y236 Y237 | A229-M233 VanDerWaalsContact O-CB 3.24Å; A229-M233 WeakPolarHBondContact O-CB 3.49Å; A229-M233 PolarHBondContact O-N 2.86Å; F230-M233 PolarHBondContact O-N 3.48Å; N231-M233 VanDerWaalsContact C-N 3.35Å; M233-Y236 PolarHBondContact O-N 3.26Å; M233-Y237 HydrophobicContact CE-CE2 3.5Å; M233-Y237 VanDerWaalsContact CE-OH 3.3Å; M233-Y237 WeakPolarHBondContact CE-OH 3.37Å; M233-Y237 HydrophobicContact CG-CD2 3.75Å; M233-Y237 HydrophobicContact CG-CE2 3.42Å; M233-Y237 VanDerWaalsContact CG-CE2 3.42Å; M233-Y237 WeakPolarHBondContact O-CD2 3.4Å; M233-Y237 PolarHBondContact O-N 2.88Å; M233-Y237 HydrophobicContact SD-CE2 4.1Å |
| 234 | K | 85.7 | Confident | 84 | Confident | 123 Ų | 123 | 100.6 Ų | 100.6 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 173.7 | -176.6 | -179 | 176 | -175.5 | 0 | 110.9 | F230 N231 Y237 N238 | F230-K234 VanDerWaalsContact O-CB 3.23Å; F230-K234 WeakPolarHBondContact O-CB 3.37Å; F230-K234 PolarHBondContact O-N 3.18Å; N231-K234 PolarHBondContact O-N 2.96Å; K234-Y237 PolarHBondContact O-N 3.44Å; K234-N238 WeakPolarHBondContact O-CB 3.31Å; K234-N238 PolarHBondContact O-N 3.2Å |
| 235 | N | 84.2 | Confident | 83.1 | Confident | 86 Ų | 86 | 102.1 Ų | 102.1 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.3 | -70.3 | -23.7 | 0 | 0 | 0 | 111.1 | N231 D232 Y237 N238 D239 | N231-N235 WeakPolarHBondContact O-CB 3.42Å; N231-N235 PolarHBondContact O-N 3.49Å; N231-N235 PolarHBondContact O-ND2 2.98Å; D232-N235 PolarHBondContact O-N 2.77Å; N235-Y237 VanDerWaalsContact C-N 3.35Å; N235-Y237 PolarHBondContact O-N 2.88Å; N235-N238 CarbonylContact O-C 3.59Å; N235-N238 WeakPolarHBondContact O-CB 3.31Å; N235-N238 PolarHBondContact O-N 3.45Å; N235-N238 VanDerWaalsContact O-N 3.08Å; N235-D239 WeakPolarHBondContact O-CB 3.5Å; N235-D239 PolarHBondContact O-N 3.43Å |
| 236 | Y | 83.3 | Confident | 82 | Confident | 141 Ų | 141 | 98.9 Ų | 98.9 | 55% | 0.553 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.9 | -45.4 | 175.4 | 175.8 | -103.6 | 0 | 0 | 0 | 112.2 | D232 M233 D239 I240 | D232-Y236 VanDerWaalsContact O-CB 3.28Å; D232-Y236 WeakPolarHBondContact O-CB 3.33Å; D232-Y236 PolarHBondContact O-N 3.34Å; M233-Y236 PolarHBondContact O-N 3.26Å; Y236-D239 PolarHBondContact O-N 2.89Å; Y236-I240 HydrophobicContact CD1-CD1 3.81Å; Y236-I240 HydrophobicContact CE1-CD1 3.22Å; Y236-I240 HydrophobicContact CE1-CG1 4.29Å; Y236-I240 HydrophobicContact CE2-CD1 4.11Å; Y236-I240 HydrophobicContact CG-CD1 4.47Å; Y236-I240 VanDerWaalsContact CZ-CD1 3.4Å; Y236-I240 WeakPolarHBondContact O-CB 3.43Å; Y236-I240 WeakPolarHBondContact O-CG1 3.49Å; Y236-I240 PolarHBondContact O-N 2.86Å |
| 237 | Y | 82.4 | Confident | 80.9 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -35.2 | 175.3 | -76 | -57.7 | 0 | 0 | 0 | 112.4 | M233 K234 N235 D239 I240 T241 | M233-Y237 HydrophobicContact CE-CE2 3.5Å; M233-Y237 VanDerWaalsContact CE-OH 3.3Å; M233-Y237 WeakPolarHBondContact CE-OH 3.37Å; M233-Y237 HydrophobicContact CG-CD2 3.75Å; M233-Y237 HydrophobicContact CG-CE2 3.42Å; M233-Y237 VanDerWaalsContact CG-CE2 3.42Å; M233-Y237 WeakPolarHBondContact O-CD2 3.4Å; M233-Y237 PolarHBondContact O-N 2.88Å; M233-Y237 HydrophobicContact SD-CE2 4.1Å; K234-Y237 PolarHBondContact O-N 3.44Å; N235-Y237 VanDerWaalsContact C-N 3.35Å; N235-Y237 PolarHBondContact O-N 2.88Å; Y237-D239 VanDerWaalsContact C-N 3.35Å; Y237-I240 HydrophobicContact CD1-CD1 4.36Å; Y237-I240 CarbonylContact O-C 3.57Å; Y237-I240 PolarHBondContact O-N 3.09Å; Y237-T241 WeakPolarHBondContact O-CB 3.41Å; Y237-T241 PolarHBondContact O-N 2.95Å; Y237-T241 PolarHBondContact O-OG1 3.3Å |
| 238 | N | 83.7 | Confident | 79.6 | Confident | 94 Ų | 94 | 95.6 Ų | 95.6 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.6 | -137.8 | 17 | 0 | 0 | 0 | 111 | K234 N235 T241 L242 | K234-N238 WeakPolarHBondContact O-CB 3.31Å; K234-N238 PolarHBondContact O-N 3.2Å; N235-N238 CarbonylContact O-C 3.59Å; N235-N238 WeakPolarHBondContact O-CB 3.31Å; N235-N238 PolarHBondContact O-N 3.45Å; N235-N238 VanDerWaalsContact O-N 3.08Å; N238-T241 WeakPolarHBondContact O-CB 3.43Å; N238-T241 PolarHBondContact O-N 3.32Å; N238-T241 VanDerWaalsContact O-N 3.09Å; N238-L242 PolarHBondContact O-N 2.93Å |
| 239 | D | 79.9 | Confident | 78.2 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 173.9 | -73 | -15 | 0 | 0 | 0 | 111.2 | N235 Y236 Y237 T241 L242 N243 | N235-D239 WeakPolarHBondContact O-CB 3.5Å; N235-D239 PolarHBondContact O-N 3.43Å; Y236-D239 PolarHBondContact O-N 2.89Å; Y237-D239 VanDerWaalsContact C-N 3.35Å; D239-T241 VanDerWaalsContact C-N 3.26Å; D239-T241 PolarHBondContact O-N 2.98Å; D239-L242 PolarHBondContact O-N 3.48Å; D239-N243 WeakPolarHBondContact O-CB 3.37Å; D239-N243 PolarHBondContact O-N 3.42Å |
| 240 | I | 77.6 | Confident | 76.8 | Confident | 51 Ų | 51 | 91.9 Ų | 91.9 | 26% | 0.262 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 169.8 | -77.2 | 178.3 | 0 | 0 | 0 | 110.6 | Y236 Y237 N243 N244 | Y236-I240 HydrophobicContact CD1-CD1 3.81Å; Y236-I240 HydrophobicContact CE1-CD1 3.22Å; Y236-I240 HydrophobicContact CE1-CG1 4.29Å; Y236-I240 HydrophobicContact CE2-CD1 4.11Å; Y236-I240 HydrophobicContact CG-CD1 4.47Å; Y236-I240 VanDerWaalsContact CZ-CD1 3.4Å; Y236-I240 WeakPolarHBondContact O-CB 3.43Å; Y236-I240 WeakPolarHBondContact O-CG1 3.49Å; Y236-I240 PolarHBondContact O-N 2.86Å; Y237-I240 HydrophobicContact CD1-CD1 4.36Å; Y237-I240 CarbonylContact O-C 3.57Å; Y237-I240 PolarHBondContact O-N 3.09Å; I240-N243 PolarHBondContact O-N 3.36Å; I240-N244 WeakPolarHBondContact CG2-ND2 3.4Å; I240-N244 WeakPolarHBondContact O-CA 3.3Å; I240-N244 WeakPolarHBondContact O-CB 3.45Å; I240-N244 PolarHBondContact O-N 2.99Å; I240-N244 PolarHBondContact O-ND2 3.26Å; I240-N244 PolarHBondContact O-OD1 3.1Å |
| 241 | T | 78.1 | Confident | 74.9 | Confident | 74 Ų | 74 | 89.3 Ų | 89.3 | 45% | 0.454 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.9 | -42.8 | -177.9 | -48 | 0 | 0 | 0 | 0 | 110.6 | Y237 N238 D239 N244 L245 | Y237-T241 WeakPolarHBondContact O-CB 3.41Å; Y237-T241 PolarHBondContact O-N 2.95Å; Y237-T241 PolarHBondContact O-OG1 3.3Å; N238-T241 WeakPolarHBondContact O-CB 3.43Å; N238-T241 PolarHBondContact O-N 3.32Å; N238-T241 VanDerWaalsContact O-N 3.09Å; D239-T241 VanDerWaalsContact C-N 3.26Å; D239-T241 PolarHBondContact O-N 2.98Å; T241-N244 PolarHBondContact O-N 3.39Å; T241-L245 PolarHBondContact O-N 2.87Å |
| 242 | L | 78.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 93.4 Ų | 93.4 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 172.3 | -83.2 | 161.9 | 0 | 0 | 0 | 111.9 | N238 D239 L245 A246 | N238-L242 PolarHBondContact O-N 2.93Å; D239-L242 PolarHBondContact O-N 3.48Å; L242-L245 WeakPolarHBondContact O-CB 3.34Å; L242-L245 PolarHBondContact O-N 3.41Å; L242-A246 PolarHBondContact O-N 3.11Å; L242-A246 VanDerWaalsContact O-N 3.08Å |
| 243 | N | 75.2 | Confident | 71.7 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 57% | 0.572 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68 | -37.9 | 177.6 | -162.7 | 7.4 | 0 | 0 | 0 | 111.1 | D239 I240 L245 A246 L247 | D239-N243 WeakPolarHBondContact O-CB 3.37Å; D239-N243 PolarHBondContact O-N 3.42Å; I240-N243 PolarHBondContact O-N 3.36Å; N243-L245 VanDerWaalsContact C-N 3.32Å; N243-L245 PolarHBondContact O-N 2.81Å; N243-A246 CarbonylContact O-C 3.6Å; N243-A246 WeakPolarHBondContact O-CB 3.5Å; N243-A246 PolarHBondContact O-N 2.94Å; N243-L247 WeakPolarHBondContact O-CB 3.4Å; N243-L247 PolarHBondContact O-N 3.35Å |
| 244 | N | 71.6 | Confident | 70.2 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 173.7 | -76.8 | -17.4 | 0 | 0 | 0 | 111.5 | I240 T241 L247 I248 | I240-N244 WeakPolarHBondContact CG2-ND2 3.4Å; I240-N244 WeakPolarHBondContact O-CA 3.3Å; I240-N244 WeakPolarHBondContact O-CB 3.45Å; I240-N244 PolarHBondContact O-N 2.99Å; I240-N244 PolarHBondContact O-ND2 3.26Å; I240-N244 PolarHBondContact O-OD1 3.1Å; T241-N244 PolarHBondContact O-N 3.39Å; N244-L247 CarbonylContact O-C 3.5Å; N244-L247 PolarHBondContact O-N 3.44Å; N244-I248 WeakPolarHBondContact O-CB 3.48Å; N244-I248 WeakPolarHBondContact O-CD1 3.45Å; N244-I248 WeakPolarHBondContact O-CG1 3.3Å; N244-I248 PolarHBondContact O-N 3.26Å |
| 245 | L | 73.7 | Confident | 68.4 | Low | 117 Ų | 117 | 96 Ų | 96 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.3 | -42.1 | 171.9 | -83.7 | 157 | 0 | 0 | 0 | 111.7 | T241 L242 N243 G249 | T241-L245 PolarHBondContact O-N 2.87Å; L242-L245 WeakPolarHBondContact O-CB 3.34Å; L242-L245 PolarHBondContact O-N 3.41Å; N243-L245 VanDerWaalsContact C-N 3.32Å; N243-L245 PolarHBondContact O-N 2.81Å; L245-G249 PolarHBondContact O-N 2.89Å |
| 246 | A | 66.3 | Low | 66.8 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L242 N243 G249 S250 | L242-A246 PolarHBondContact O-N 3.11Å; L242-A246 VanDerWaalsContact O-N 3.08Å; N243-A246 CarbonylContact O-C 3.6Å; N243-A246 WeakPolarHBondContact O-CB 3.5Å; N243-A246 PolarHBondContact O-N 2.94Å; A246-G249 WeakPolarHBondContact O-CA 3.32Å; A246-G249 PolarHBondContact O-N 3.28Å; A246-S250 PolarHBondContact O-N 3.47Å; A246-S250 VanDerWaalsContact O-N 3.17Å |
| 247 | L | 64.9 | Low | 64.9 | Low | 56 Ų | 56 | 101.4 Ų | 101.4 | 29% | 0.293 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.6 | -34.1 | 178.2 | -172.2 | 65.3 | 0 | 0 | 0 | 111.8 | N243 N244 G249 S250 M251 | N243-L247 WeakPolarHBondContact O-CB 3.4Å; N243-L247 PolarHBondContact O-N 3.35Å; N244-L247 CarbonylContact O-C 3.5Å; N244-L247 PolarHBondContact O-N 3.44Å; L247-G249 PolarHBondContact O-N 2.99Å; L247-S250 PolarHBondContact O-N 2.9Å; L247-S250 PolarHBondContact O-OG 3.5Å; L247-M251 HydrophobicContact CD1-CE 3.94Å; L247-M251 HydrophobicContact CD1-CG 3.91Å; L247-M251 HydrophobicContact CD1-SD 4.24Å; L247-M251 HydrophobicContact CD2-CE 3.67Å; L247-M251 HydrophobicContact CD2-SD 3.95Å; L247-M251 HydrophobicContact CG-CE 3.78Å; L247-M251 HydrophobicContact CG-CG 3.8Å; L247-M251 HydrophobicContact CG-SD 3.65Å; L247-M251 WeakPolarHBondContact O-CA 3.39Å; L247-M251 WeakPolarHBondContact O-CB 3.37Å; L247-M251 WeakPolarHBondContact O-CG 3.31Å; L247-M251 PolarHBondContact O-N 2.88Å |
| 248 | I | 63.6 | Low | 63.2 | Low | 96 Ų | 96 | 102.1 Ų | 102.1 | 49% | 0.492 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 170.3 | -74.9 | 162.2 | 0 | 0 | 0 | 110.3 | N244 K252 | N244-I248 WeakPolarHBondContact O-CB 3.48Å; N244-I248 WeakPolarHBondContact O-CD1 3.45Å; N244-I248 WeakPolarHBondContact O-CG1 3.3Å; N244-I248 PolarHBondContact O-N 3.26Å; I248-K252 WeakPolarHBondContact O-CG 3.45Å; I248-K252 PolarHBondContact O-N 3.37Å |
| 249 | G | 59.4 | Low | 61.5 | Low | 49 Ų | 49 | 107.6 Ų | 107.6 | 51% | 0.505 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -49.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | L245 A246 L247 | L245-G249 PolarHBondContact O-N 2.89Å; A246-G249 WeakPolarHBondContact O-CA 3.32Å; A246-G249 PolarHBondContact O-N 3.28Å; L247-G249 PolarHBondContact O-N 2.99Å |
| 250 | S | 59.4 | Low | 59.8 | Low | 40 Ų | 40 | 111.7 Ų | 111.7 | 28% | 0.28 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -82 | -26.4 | -178.5 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | A246 L247 E253 Q254 | A246-S250 PolarHBondContact O-N 3.47Å; A246-S250 VanDerWaalsContact O-N 3.17Å; L247-S250 PolarHBondContact O-N 2.9Å; L247-S250 PolarHBondContact O-OG 3.5Å; S250-E253 WeakPolarHBondContact O-CA 3.47Å; S250-E253 VanDerWaalsContact O-CB 3.26Å; S250-E253 WeakPolarHBondContact O-CB 3.37Å; S250-E253 PolarHBondContact O-N 3.1Å; S250-E253 VanDerWaalsContact O-N 3.08Å; S250-Q254 PolarHBondContact O-N 3.43Å; S250-Q254 VanDerWaalsContact O-N 3.08Å |
| 251 | M | 49.6 | Very low | 58 | Low | 87 Ų | 87 | 118.4 Ų | 118.4 | 43% | 0.429 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.8 | -23.2 | 177.7 | -78.2 | -173 | 160.1 | 0 | 0 | 112.6 | L247 E253 Q254 L255 | L247-M251 HydrophobicContact CD1-CE 3.94Å; L247-M251 HydrophobicContact CD1-CG 3.91Å; L247-M251 HydrophobicContact CD1-SD 4.24Å; L247-M251 HydrophobicContact CD2-CE 3.67Å; L247-M251 HydrophobicContact CD2-SD 3.95Å; L247-M251 HydrophobicContact CG-CE 3.78Å; L247-M251 HydrophobicContact CG-CG 3.8Å; L247-M251 HydrophobicContact CG-SD 3.65Å; L247-M251 WeakPolarHBondContact O-CA 3.39Å; L247-M251 WeakPolarHBondContact O-CB 3.37Å; L247-M251 WeakPolarHBondContact O-CG 3.31Å; L247-M251 PolarHBondContact O-N 2.88Å; M251-E253 PolarHBondContact O-N 3.01Å; M251-Q254 PolarHBondContact O-N 3.5Å; M251-L255 WeakPolarHBondContact O-CA 3.32Å; M251-L255 WeakPolarHBondContact O-CB 3.29Å; M251-L255 WeakPolarHBondContact O-CD1 3.38Å; M251-L255 WeakPolarHBondContact O-CG 3.23Å; M251-L255 PolarHBondContact O-N 3.11Å |
| 252 | K | 54.8 | Low | 56.3 | Low | 170 Ų | 170 | 119.4 Ų | 119.4 | 74% | 0.739 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.1 | -25.5 | 165 | -79.8 | -179 | 177.6 | -179.3 | 0 | 112.3 | I248 | I248-K252 WeakPolarHBondContact O-CG 3.45Å; I248-K252 PolarHBondContact O-N 3.37Å |
| 253 | E | 51.6 | Low | 54.8 | Low | 169 Ų | 169 | 123.5 Ų | 123.5 | 79% | 0.79 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -90.2 | -26.4 | 178.8 | -139.8 | 169.4 | -164.5 | 0 | 0 | 112.4 | S250 M251 | S250-E253 WeakPolarHBondContact O-CA 3.47Å; S250-E253 VanDerWaalsContact O-CB 3.26Å; S250-E253 WeakPolarHBondContact O-CB 3.37Å; S250-E253 PolarHBondContact O-N 3.1Å; S250-E253 VanDerWaalsContact O-N 3.08Å; M251-E253 PolarHBondContact O-N 3.01Å |
| 254 | Q | 51 | Low | 53.8 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 51% | 0.505 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -104.9 | -11.8 | -177.1 | -65.9 | -179.1 | -11.3 | 0 | 0 | 115 | S250 M251 E256 H257 | S250-Q254 PolarHBondContact O-N 3.43Å; S250-Q254 VanDerWaalsContact O-N 3.08Å; M251-Q254 PolarHBondContact O-N 3.5Å; Q254-E256 PolarHBondContact O-N 2.89Å; Q254-E256 VanDerWaalsContact O-N 3.1Å; Q254-H257 PolarHBondContact O-N 2.95Å |
| 255 | L | 47.3 | Very low | 52.9 | Low | 93 Ų | 93 | 131.3 Ų | 131.3 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.1 | -13.5 | 174.2 | -94.1 | 166 | 0 | 0 | 0 | 113.9 | M251 | M251-L255 WeakPolarHBondContact O-CA 3.32Å; M251-L255 WeakPolarHBondContact O-CB 3.29Å; M251-L255 WeakPolarHBondContact O-CD1 3.38Å; M251-L255 WeakPolarHBondContact O-CG 3.23Å; M251-L255 PolarHBondContact O-N 3.11Å |
| 256 | E | 50.3 | Low | 52.1 | Low | 179 Ų | 179 | 132.5 Ų | 132.5 | 84% | 0.836 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -22.9 | 172.6 | -158.1 | 61.2 | -152.8 | 0 | 0 | 112.3 | Q254 | Q254-E256 PolarHBondContact O-N 2.89Å; Q254-E256 VanDerWaalsContact O-N 3.1Å |
| 257 | H | 43.7 | Very low | 51.8 | Low | 160 Ų | 160 | 140.2 Ų | 140.2 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -30.6 | -163.5 | -159 | -75.4 | 0 | 0 | 0 | 116.5 | Q254 | Q254-H257 PolarHBondContact O-N 2.95Š|
| 258 | L | 47.8 | Very low | 51.8 | Low | 138 Ų | 138 | 144.7 Ų | 144.7 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -105.1 | 5 | -170.6 | -73.5 | 168.7 | 0 | 0 | 0 | 115.7 | K260 | L258-K260 PolarHBondContact O-N 3.35Š|
| 259 | R | 46.5 | Very low | 51.9 | Low | 208 Ų | 208 | 144.1 Ų | 144.1 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 7.3 | -178.7 | -126.6 | 174.6 | -172.9 | 172 | 1.9 | 115.8 | ||
| 260 | K | 45.3 | Very low | 52.3 | Low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -11.6 | -162.4 | -94 | -177.8 | 178.8 | 174.9 | 0 | 119.4 | L258 | L258-K260 PolarHBondContact O-N 3.35Š|
| 261 | Q | 40 | Very low | 52.6 | Low | 191 Ų | 191 | 149.4 Ų | 149.4 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -156.3 | 2.1 | -169.4 | -130 | 165.8 | -9.3 | 0 | 0 | 125.3 | ||
| 262 | A | 42.1 | Very low | 53.4 | Low | 96 Ų | 96 | 150.2 Ų | 150.2 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | trans | -108.9 | -4.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | R264 | A262-R264 PolarHBondContact O-N 2.96Š| ||
| 263 | E | 45.8 | Very low | 54.1 | Low | 199 Ų | 199 | 144.5 Ų | 144.5 | 93% | 0.93 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 17.5 | -161.1 | -118.8 | 178.7 | -173.8 | 0 | 0 | 118.1 | ||
| 264 | R | 54.6 | Low | 55 | Low | 250 Ų | 250 | 139.6 Ų | 139.6 | 94% | 0.943 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -13 | -172.7 | -85.2 | -175.7 | 180 | 176.8 | 0.4 | 118.4 | A262 | A262-R264 PolarHBondContact O-N 2.96Š|
| 265 | S | 52.3 | Low | 55.9 | Low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -95.2 | -24.8 | -169.3 | 60.6 | 0 | 0 | 0 | 0 | 117.5 | ||
| 266 | D | 58.6 | Low | 56.9 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -7.2 | -161.1 | -70.2 | -3.6 | 0 | 0 | 0 | 116.2 | ||
| 267 | R | 58.5 | Low | 57.9 | Low | 228 Ų | 228 | 142 Ų | 142 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -16.6 | -172.3 | -81 | -176.9 | -180 | 166.3 | 2.7 | 116.5 | ||
| 268 | I | 64.5 | Low | 59.3 | Low | 150 Ų | 150 | 142.5 Ų | 142.5 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -89.3 | -17 | -171.2 | -63.4 | 174.7 | 0 | 0 | 0 | 113 | ||
| 269 | A | 66.5 | Low | 60.4 | Low | 84 Ų | 84 | 141.5 Ų | 141.5 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -82.9 | -20.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 270 | A | 67 | Low | 61.9 | Low | 69 Ų | 69 | 138 Ų | 138 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -83.3 | -35.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | T272 A273 | A270-T272 PolarHBondContact O-N 3Å; A270-A273 PolarHBondContact O-N 3.32Å |
| 271 | D | 67.1 | Low | 63.3 | Low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71 | -30.7 | -171 | -68.5 | -18 | 0 | 0 | 0 | 113.1 | A273 | D271-A273 VanDerWaalsContact C-N 3.29Å; D271-A273 PolarHBondContact O-N 2.95Å |
| 272 | T | 66.1 | Low | 65.3 | Low | 104 Ų | 104 | 130.7 Ų | 130.7 | 64% | 0.638 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.1 | -19.5 | -177.9 | -31 | 0 | 0 | 0 | 0 | 113.3 | A270 | A270-T272 PolarHBondContact O-N 3Å |
| 273 | A | 69 | Low | 67.1 | Low | 50 Ų | 50 | 131.6 Ų | 131.6 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -86.2 | -19.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A270 D271 | A270-A273 PolarHBondContact O-N 3.32Å; D271-A273 VanDerWaalsContact C-N 3.29Å; D271-A273 PolarHBondContact O-N 2.95Å |
| 274 | A | 71 | Confident | 68.8 | Low | 66 Ų | 66 | 126.9 Ų | 126.9 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -80.7 | -40 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N276 R277 | A274-N276 PolarHBondContact O-N 3.44Å; A274-R277 PolarHBondContact O-N 2.95Å |
| 275 | E | 70.5 | Confident | 70.1 | Confident | 107 Ų | 107 | 121 Ų | 121 | 50% | 0.5 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.3 | -30.4 | -174.3 | -152.1 | 61.9 | -150.1 | 0 | 0 | 112.7 | R277 R278 | E275-R277 VanDerWaalsContact C-N 3.32Å; E275-R277 PolarHBondContact O-N 3.37Å; E275-R278 PolarHBondContact O-N 3.49Å; E275-R278 IonicContact OE1-CZ 3.66Å; E275-R278 IonicContact OE1-NE 3.23Å; E275-R278 PolarHBondContact OE1-NE 3.25Å; E275-R278 IonicContact OE1-NH2 3.18Å; E275-R278 PolarHBondContact OE1-NH2 2.82Å |
| 276 | N | 67.7 | Low | 71.6 | Confident | 129 Ų | 129 | 119 Ų | 119 | 69% | 0.69 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.6 | -22.5 | 177.5 | -102.8 | -37.8 | 0 | 0 | 0 | 114.1 | A274 | A274-N276 PolarHBondContact O-N 3.44Å |
| 277 | R | 70.1 | Confident | 72.8 | Confident | 194 Ų | 194 | 116.6 Ų | 116.6 | 73% | 0.732 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.9 | -29.9 | 177.4 | -67.5 | -175.1 | -158.5 | 165 | 6.2 | 112.5 | A274 E275 L279 | A274-R277 PolarHBondContact O-N 2.95Å; E275-R277 VanDerWaalsContact C-N 3.32Å; E275-R277 PolarHBondContact O-N 3.37Å; R277-L279 VanDerWaalsContact C-N 3.33Å; R277-L279 PolarHBondContact O-N 3.49Å |
| 278 | R | 73.3 | Confident | 74.2 | Confident | 170 Ų | 170 | 110.4 Ų | 110.4 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.2 | -24.1 | -173.7 | -161.9 | 174.1 | 73.2 | 101.8 | -2 | 114.3 | E275 | E275-R278 PolarHBondContact O-N 3.49Å; E275-R278 IonicContact OE1-CZ 3.66Å; E275-R278 IonicContact OE1-NE 3.23Å; E275-R278 PolarHBondContact OE1-NE 3.25Å; E275-R278 IonicContact OE1-NH2 3.18Å; E275-R278 PolarHBondContact OE1-NH2 2.82Å |
| 279 | L | 71.7 | Confident | 75.4 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -11.6 | -174 | -68.8 | 170.8 | 0 | 0 | 0 | 114.7 | R277 | R277-L279 VanDerWaalsContact C-N 3.33Å; R277-L279 PolarHBondContact O-N 3.49Å |
| 280 | K | 78 | Confident | 76.4 | Confident | 133 Ų | 133 | 108.4 Ų | 108.4 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -81.2 | -41 | -170.6 | -165.6 | 178.1 | 176.1 | -171.3 | 0 | 113.5 | L283 E284 | K280-L283 PolarHBondContact O-N 2.85Å; K280-E284 VanDerWaalsContact CE-OE1 3.25Å; K280-E284 WeakPolarHBondContact CE-OE1 3.46Å; K280-E284 PolarHBondContact O-N 2.97Å |
| 281 | E | 74.8 | Confident | 77.4 | Confident | 143 Ų | 143 | 109.6 Ų | 109.6 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.2 | -42 | -174.5 | -67.2 | 177.3 | 162.5 | 0 | 0 | 114.5 | L283 E284 H285 | E281-L283 VanDerWaalsContact C-N 3.27Å; E281-L283 PolarHBondContact O-N 3.18Å; E281-E284 PolarHBondContact O-N 3.49Å; E281-H285 PolarHBondContact O-N 3.01Å; E281-H285 PolarHBondContact O-ND1 2.81Å |
| 282 | P | 81.4 | Confident | 78.6 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -31.6 | 177.1 | -21.8 | 34.3 | 0 | 0 | 0 | 112.8 | A286 | P282-A286 PolarHBondContact O-N 3.48Å; P282-A286 VanDerWaalsContact O-N 3.17Å |
| 283 | L | 79.5 | Confident | 79.7 | Confident | 116 Ų | 116 | 110.6 Ų | 110.6 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.8 | -39.7 | 179.3 | -174.6 | 65.1 | 0 | 0 | 0 | 111.8 | K280 E281 N287 | K280-L283 PolarHBondContact O-N 2.85Å; E281-L283 VanDerWaalsContact C-N 3.27Å; E281-L283 PolarHBondContact O-N 3.18Å; L283-N287 PolarHBondContact O-N 3.09Å |
| 284 | E | 83.2 | Confident | 80.7 | Confident | 99 Ų | 99 | 115.4 Ų | 115.4 | 46% | 0.463 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -40.6 | 176 | -75.2 | 178.6 | 179.2 | 0 | 0 | 111.8 | K280 E281 N287 I288 | K280-E284 VanDerWaalsContact CE-OE1 3.25Å; K280-E284 WeakPolarHBondContact CE-OE1 3.46Å; K280-E284 PolarHBondContact O-N 2.97Å; E281-E284 PolarHBondContact O-N 3.49Å; E284-N287 PolarHBondContact O-N 3.44Å; E284-I288 WeakPolarHBondContact O-CG1 3.44Å; E284-I288 PolarHBondContact O-N 2.96Å; E284-I288 VanDerWaalsContact O-N 3.13Å |
| 285 | H | 82.1 | Confident | 81.6 | Confident | 127 Ų | 127 | 120.9 Ų | 120.9 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -42.7 | 176.7 | -84.9 | 54 | 0 | 0 | 0 | 112.9 | E281 N287 I288 Q289 | E281-H285 PolarHBondContact O-N 3.01Å; E281-H285 PolarHBondContact O-ND1 2.81Å; H285-N287 VanDerWaalsContact C-N 3.3Å; H285-N287 PolarHBondContact O-N 3.28Å; H285-I288 PolarHBondContact O-N 3.36Å; H285-Q289 PolarHBondContact O-N 3.26Å |
| 286 | A | 82 | Confident | 82.6 | Confident | 55 Ų | 55 | 121.9 Ų | 121.9 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P282 L290 | P282-A286 PolarHBondContact O-N 3.48Å; P282-A286 VanDerWaalsContact O-N 3.17Å; A286-L290 WeakPolarHBondContact O-CB 3.41Å; A286-L290 PolarHBondContact O-N 3.34Å |
| 287 | N | 84.6 | Confident | 83.7 | Confident | 90 Ų | 90 | 120.6 Ų | 120.6 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.7 | -36.6 | 177.6 | -95.2 | -20.6 | 0 | 0 | 0 | 113.2 | L283 E284 H285 N291 | L283-N287 PolarHBondContact O-N 3.09Å; E284-N287 PolarHBondContact O-N 3.44Å; H285-N287 VanDerWaalsContact C-N 3.3Å; H285-N287 PolarHBondContact O-N 3.28Å; N287-N291 PolarHBondContact O-N 3.08Å; N287-N291 PolarHBondContact O-ND2 3.38Å |
| 288 | I | 88.5 | Confident | 84.8 | Confident | 98 Ų | 98 | 116.3 Ų | 116.3 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 176.3 | -67.2 | 167.3 | 0 | 0 | 0 | 110.2 | E284 H285 L290 N291 E292 | E284-I288 WeakPolarHBondContact O-CG1 3.44Å; E284-I288 PolarHBondContact O-N 2.96Å; E284-I288 VanDerWaalsContact O-N 3.13Å; H285-I288 PolarHBondContact O-N 3.36Å; I288-L290 VanDerWaalsContact C-N 3.33Å; I288-L290 PolarHBondContact O-N 2.93Å; I288-N291 PolarHBondContact O-N 3.44Å; I288-N291 VanDerWaalsContact O-N 3.15Å; I288-E292 PolarHBondContact O-N 2.91Å |
| 289 | Q | 89.1 | Confident | 85.7 | Confident | 110 Ų | 110 | 113.8 Ų | 113.8 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 179.1 | -69.2 | -176.2 | -2.4 | 0 | 0 | 112.3 | H285 N291 E292 Y293 | H285-Q289 PolarHBondContact O-N 3.26Å; Q289-N291 VanDerWaalsContact C-N 3.3Å; Q289-N291 PolarHBondContact O-N 3.24Å; Q289-E292 PolarHBondContact O-N 2.87Å; Q289-Y293 HydrophobicContact CB-CE2 4.4Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.22Å; Q289-Y293 PolarHBondContact O-N 2.92Å |
| 290 | L | 87.2 | Confident | 86.7 | Confident | 82 Ų | 82 | 115.3 Ų | 115.3 | 43% | 0.429 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 175.5 | -170.1 | 90 | 0 | 0 | 0 | 111.6 | A286 I288 Y293 R294 | A286-L290 WeakPolarHBondContact O-CB 3.41Å; A286-L290 PolarHBondContact O-N 3.34Å; I288-L290 VanDerWaalsContact C-N 3.33Å; I288-L290 PolarHBondContact O-N 2.93Å; L290-Y293 PolarHBondContact O-N 3.11Å; L290-R294 WeakPolarHBondContact O-CG 3.45Å; L290-R294 PolarHBondContact O-N 3.07Å |
| 291 | N | 88.8 | Confident | 87.4 | Confident | 93 Ų | 93 | 114 Ų | 114 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | 179.3 | -79.3 | -28.8 | 0 | 0 | 0 | 112.7 | N287 I288 Q289 R294 R295 | N287-N291 PolarHBondContact O-N 3.08Å; N287-N291 PolarHBondContact O-ND2 3.38Å; I288-N291 PolarHBondContact O-N 3.44Å; I288-N291 VanDerWaalsContact O-N 3.15Å; Q289-N291 VanDerWaalsContact C-N 3.3Å; Q289-N291 PolarHBondContact O-N 3.24Å; N291-R294 PolarHBondContact O-N 2.98Å; N291-R295 PolarHBondContact O-N 2.96Å; N291-R295 VanDerWaalsContact O-N 3.1Å |
| 292 | E | 91.3 | Very high | 88.3 | Confident | 105 Ų | 105 | 114 Ų | 114 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.1 | -72.6 | -169.9 | 165.3 | 0 | 0 | 112.3 | I288 Q289 R294 R295 K296 | I288-E292 PolarHBondContact O-N 2.91Å; Q289-E292 PolarHBondContact O-N 2.87Å; E292-R294 VanDerWaalsContact C-N 3.33Å; E292-R294 PolarHBondContact O-N 3.36Å; E292-R295 PolarHBondContact O-N 3.37Å; E292-K296 PolarHBondContact O-N 3.32Å |
| 293 | Y | 89.2 | Confident | 88.9 | Confident | 152 Ų | 152 | 114.4 Ų | 114.4 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | 177.7 | -72.3 | -52.3 | 0 | 0 | 0 | 112.2 | Q289 L290 K296 L297 | Q289-Y293 HydrophobicContact CB-CE2 4.4Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.22Å; Q289-Y293 PolarHBondContact O-N 2.92Å; L290-Y293 PolarHBondContact O-N 3.11Å; Y293-K296 PolarHBondContact O-N 2.95Å; Y293-L297 WeakPolarHBondContact O-CB 3.34Å; Y293-L297 PolarHBondContact O-N 3.3Å |
| 294 | R | 90.2 | Very high | 89.6 | Confident | 152 Ų | 152 | 115.5 Ų | 115.5 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 172.4 | -77.9 | 179.3 | 175.5 | -177.2 | -1.1 | 112 | L290 N291 E292 K296 L297 E298 | L290-R294 WeakPolarHBondContact O-CG 3.45Å; L290-R294 PolarHBondContact O-N 3.07Å; N291-R294 PolarHBondContact O-N 2.98Å; E292-R294 VanDerWaalsContact C-N 3.33Å; E292-R294 PolarHBondContact O-N 3.36Å; R294-K296 PolarHBondContact O-N 3.42Å; R294-L297 PolarHBondContact O-N 2.86Å; R294-E298 PolarHBondContact O-N 3.07Å; R294-E298 VanDerWaalsContact O-N 3.08Å |
| 295 | R | 90.9 | Very high | 90.1 | Very high | 180 Ų | 180 | 116.1 Ų | 116.1 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 175.7 | -85.6 | -175.7 | 175.4 | 176.9 | -0 | 112.7 | N291 E292 L297 E298 F299 | N291-R295 PolarHBondContact O-N 2.96Å; N291-R295 VanDerWaalsContact O-N 3.1Å; E292-R295 PolarHBondContact O-N 3.37Å; R295-L297 VanDerWaalsContact C-N 3.28Å; R295-L297 PolarHBondContact O-N 2.84Å; R295-E298 PolarHBondContact O-N 3.49Å; R295-F299 WeakPolarHBondContact O-CD2 3.37Å; R295-F299 PolarHBondContact O-N 3.25Å; R295-F299 VanDerWaalsContact O-N 3.13Å |
| 296 | K | 91.6 | Very high | 90.7 | Very high | 129 Ų | 129 | 115.6 Ų | 115.6 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -38.7 | 178.2 | -73.7 | 176.5 | -179.1 | 169.4 | 0 | 111.8 | E292 Y293 R294 F299 Y300 | E292-K296 PolarHBondContact O-N 3.32Å; Y293-K296 PolarHBondContact O-N 2.95Å; R294-K296 PolarHBondContact O-N 3.42Å; K296-F299 PolarHBondContact O-N 2.95Å; K296-Y300 WeakPolarHBondContact O-CB 3.44Å; K296-Y300 PolarHBondContact O-N 3.34Å |
| 297 | L | 90.9 | Very high | 91.3 | Very high | 101 Ų | 101 | 117.4 Ų | 117.4 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.7 | -167.1 | 70.9 | 0 | 0 | 0 | 111.6 | Y293 R294 R295 F299 Y300 E301 | Y293-L297 WeakPolarHBondContact O-CB 3.34Å; Y293-L297 PolarHBondContact O-N 3.3Å; R294-L297 PolarHBondContact O-N 2.86Å; R295-L297 VanDerWaalsContact C-N 3.28Å; R295-L297 PolarHBondContact O-N 2.84Å; L297-F299 PolarHBondContact O-N 2.92Å; L297-Y300 PolarHBondContact O-N 2.91Å; L297-E301 WeakPolarHBondContact O-CG 3.48Å; L297-E301 PolarHBondContact O-N 3.25Å |
| 298 | E | 92.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 116.5 Ų | 116.5 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 176.1 | -73.1 | 177.7 | -168.1 | 0 | 0 | 112.6 | R294 R295 E301 R302 | R294-E298 PolarHBondContact O-N 3.07Å; R294-E298 VanDerWaalsContact O-N 3.08Å; R295-E298 PolarHBondContact O-N 3.49Å; E298-E301 PolarHBondContact O-N 3.24Å; E298-R302 WeakPolarHBondContact O-CG 3.31Å; E298-R302 PolarHBondContact O-N 3.14Å; E298-R302 VanDerWaalsContact O-N 3.12Å |
| 299 | F | 91.9 | Very high | 92.1 | Very high | 117 Ų | 117 | 120.2 Ų | 120.2 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.2 | -75.3 | -65.4 | 0 | 0 | 0 | 111.8 | R295 K296 L297 E301 R302 D303 | R295-F299 WeakPolarHBondContact O-CD2 3.37Å; R295-F299 PolarHBondContact O-N 3.25Å; R295-F299 VanDerWaalsContact O-N 3.13Å; K296-F299 PolarHBondContact O-N 2.95Å; L297-F299 PolarHBondContact O-N 2.92Å; F299-E301 VanDerWaalsContact C-N 3.3Å; F299-E301 PolarHBondContact O-N 3.32Å; F299-R302 PolarHBondContact O-N 3.44Å; F299-R302 VanDerWaalsContact O-N 3.15Å; F299-D303 PolarHBondContact O-N 3.15Å |
| 300 | Y | 93.2 | Very high | 92.4 | Very high | 150 Ų | 150 | 120 Ų | 120 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | 177.5 | -178.5 | -95.4 | 0 | 0 | 0 | 112.3 | K296 L297 D303 K304 | K296-Y300 WeakPolarHBondContact O-CB 3.44Å; K296-Y300 PolarHBondContact O-N 3.34Å; L297-Y300 PolarHBondContact O-N 2.91Å; Y300-D303 PolarHBondContact O-N 3.38Å; Y300-K304 HydrophobicContact CE1-CD 4.48Å; Y300-K304 WeakPolarHBondContact O-CB 3.39Å; Y300-K304 PolarHBondContact O-N 2.77Å |
| 301 | E | 92.9 | Very high | 92.8 | Very high | 106 Ų | 106 | 122.4 Ų | 122.4 | 50% | 0.495 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.9 | -74.1 | -175.2 | 168.1 | 0 | 0 | 112.5 | L297 E298 F299 K304 Q305 | L297-E301 WeakPolarHBondContact O-CG 3.48Å; L297-E301 PolarHBondContact O-N 3.25Å; E298-E301 PolarHBondContact O-N 3.24Å; F299-E301 VanDerWaalsContact C-N 3.3Å; F299-E301 PolarHBondContact O-N 3.32Å; E301-K304 PolarHBondContact O-N 3.23Å; E301-Q305 WeakPolarHBondContact O-CG 3.46Å; E301-Q305 PolarHBondContact O-N 3.44Å; E301-Q305 VanDerWaalsContact O-N 3.12Å |
| 302 | R | 93.5 | Very high | 93.2 | Very high | 142 Ų | 142 | 121.4 Ų | 121.4 | 54% | 0.536 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 175.1 | -72.7 | 179 | -171.8 | 167.6 | 7.1 | 111.8 | E298 F299 K304 Q305 Q306 | E298-R302 WeakPolarHBondContact O-CG 3.31Å; E298-R302 PolarHBondContact O-N 3.14Å; E298-R302 VanDerWaalsContact O-N 3.12Å; F299-R302 PolarHBondContact O-N 3.44Å; F299-R302 VanDerWaalsContact O-N 3.15Å; R302-K304 VanDerWaalsContact C-N 3.33Å; R302-K304 PolarHBondContact O-N 2.9Å; R302-Q305 PolarHBondContact O-N 3.33Å; R302-Q306 WeakPolarHBondContact O-CG 3.46Å; R302-Q306 PolarHBondContact O-N 2.9Å |
| 303 | D | 93.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 124.4 Ų | 124.4 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -40.4 | 179.9 | -70.5 | -12.9 | 0 | 0 | 0 | 111.4 | F299 Y300 Q305 Q306 L307 | F299-D303 PolarHBondContact O-N 3.15Å; Y300-D303 PolarHBondContact O-N 3.38Å; D303-Q305 VanDerWaalsContact C-N 3.31Å; D303-Q305 PolarHBondContact O-N 3.07Å; D303-Q306 PolarHBondContact O-N 3.43Å; D303-L307 WeakPolarHBondContact O-CB 3.48Å; D303-L307 PolarHBondContact O-N 2.87Å |
| 304 | K | 94.7 | Very high | 93.7 | Very high | 139 Ų | 139 | 121 Ų | 121 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 174.4 | -173.3 | 178.4 | 178.8 | -178.8 | 0 | 111.9 | Y300 E301 R302 S308 | Y300-K304 HydrophobicContact CE1-CD 4.48Å; Y300-K304 WeakPolarHBondContact O-CB 3.39Å; Y300-K304 PolarHBondContact O-N 2.77Å; E301-K304 PolarHBondContact O-N 3.23Å; R302-K304 VanDerWaalsContact C-N 3.33Å; R302-K304 PolarHBondContact O-N 2.9Å; K304-S308 PolarHBondContact O-N 3.16Å; K304-S308 VanDerWaalsContact O-N 3.15Å |
| 305 | Q | 94.2 | Very high | 94 | Very high | 113 Ų | 113 | 117.1 Ų | 117.1 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 175.6 | -70.5 | 179.4 | 17.1 | 0 | 0 | 112.2 | E301 R302 D303 S308 R309 | E301-Q305 WeakPolarHBondContact O-CG 3.46Å; E301-Q305 PolarHBondContact O-N 3.44Å; E301-Q305 VanDerWaalsContact O-N 3.12Å; R302-Q305 PolarHBondContact O-N 3.33Å; D303-Q305 VanDerWaalsContact C-N 3.31Å; D303-Q305 PolarHBondContact O-N 3.07Å; Q305-S308 PolarHBondContact O-N 2.91Å; Q305-R309 WeakPolarHBondContact O-CG 3.49Å; Q305-R309 PolarHBondContact O-N 3.31Å; Q305-R309 VanDerWaalsContact O-N 3.12Å |
| 306 | Q | 94.5 | Very high | 94.3 | Very high | 115 Ų | 115 | 117.6 Ų | 117.6 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.4 | -70.3 | -172.9 | 13.8 | 0 | 0 | 111.9 | R302 D303 S308 R309 L310 | R302-Q306 WeakPolarHBondContact O-CG 3.46Å; R302-Q306 PolarHBondContact O-N 2.9Å; D303-Q306 PolarHBondContact O-N 3.43Å; Q306-S308 VanDerWaalsContact C-N 3.31Å; Q306-S308 PolarHBondContact O-N 3.09Å; Q306-R309 PolarHBondContact O-N 3.1Å; Q306-L310 WeakPolarHBondContact O-CG 3.33Å; Q306-L310 PolarHBondContact O-N 2.9Å |
| 307 | L | 94.7 | Very high | 94.5 | Very high | 93 Ų | 93 | 115.5 Ų | 115.5 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 176.8 | -177.1 | 63.4 | 0 | 0 | 0 | 111.7 | D303 L310 K311 | D303-L307 WeakPolarHBondContact O-CB 3.48Å; D303-L307 PolarHBondContact O-N 2.87Å; L307-L310 PolarHBondContact O-N 2.81Å; L307-K311 HydrophobicContact CG-CD 4.47Å; L307-K311 WeakPolarHBondContact O-CB 3.39Å; L307-K311 WeakPolarHBondContact O-CG 3.49Å; L307-K311 PolarHBondContact O-N 3.28Å |
| 308 | S | 95.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 115.2 Ų | 115.2 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | K304 Q305 Q306 K311 T312 | K304-S308 PolarHBondContact O-N 3.16Å; K304-S308 VanDerWaalsContact O-N 3.15Å; Q305-S308 PolarHBondContact O-N 2.91Å; Q306-S308 VanDerWaalsContact C-N 3.31Å; Q306-S308 PolarHBondContact O-N 3.09Å; S308-K311 PolarHBondContact O-N 3.45Å; S308-T312 PolarHBondContact O-N 3.12Å; S308-T312 PolarHBondContact O-OG1 3.37Å |
| 309 | R | 95.4 | Very high | 94.9 | Very high | 176 Ų | 176 | 118 Ų | 118 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 175 | -67.6 | 176 | -173 | -179 | 3.9 | 111.7 | Q305 Q306 T312 R313 | Q305-R309 WeakPolarHBondContact O-CG 3.49Å; Q305-R309 PolarHBondContact O-N 3.31Å; Q305-R309 VanDerWaalsContact O-N 3.12Å; Q306-R309 PolarHBondContact O-N 3.1Å; R309-T312 PolarHBondContact O-N 2.87Å; R309-R313 PolarHBondContact O-N 3.17Å |
| 310 | L | 95.1 | Very high | 95.1 | Very high | 104 Ų | 104 | 119 Ų | 119 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 177.7 | -73.2 | 174.7 | 0 | 0 | 0 | 112.2 | Q306 L307 T312 R313 N314 | Q306-L310 WeakPolarHBondContact O-CG 3.33Å; Q306-L310 PolarHBondContact O-N 2.9Å; L307-L310 PolarHBondContact O-N 2.81Å; L310-T312 VanDerWaalsContact C-N 3.32Å; L310-T312 PolarHBondContact O-N 3.2Å; L310-R313 PolarHBondContact O-N 2.91Å; L310-N314 WeakPolarHBondContact O-CB 3.33Å; L310-N314 PolarHBondContact O-N 3.26Å |
| 311 | K | 95.9 | Very high | 95.3 | Very high | 134 Ų | 134 | 116.1 Ų | 116.1 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.5 | -42.5 | 174.1 | -77 | -178.4 | 176.2 | -175.6 | 0 | 112 | L307 S308 N314 T315 | L307-K311 HydrophobicContact CG-CD 4.47Å; L307-K311 WeakPolarHBondContact O-CB 3.39Å; L307-K311 WeakPolarHBondContact O-CG 3.49Å; L307-K311 PolarHBondContact O-N 3.28Å; S308-K311 PolarHBondContact O-N 3.45Å; K311-N314 PolarHBondContact O-N 3.41Å; K311-T315 WeakPolarHBondContact O-CG2 3.45Å; K311-T315 PolarHBondContact O-N 2.87Å; K311-T315 PolarHBondContact O-OG1 3.45Å; K311-T315 VanDerWaalsContact O-OG1 3.06Å |
| 312 | T | 95.7 | Very high | 95.4 | Very high | 71 Ų | 71 | 118.2 Ų | 118.2 | 44% | 0.436 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177.2 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | S308 R309 L310 T315 R316 | S308-T312 PolarHBondContact O-N 3.12Å; S308-T312 PolarHBondContact O-OG1 3.37Å; R309-T312 PolarHBondContact O-N 2.87Å; L310-T312 VanDerWaalsContact C-N 3.32Å; L310-T312 PolarHBondContact O-N 3.2Å; T312-T315 PolarHBondContact O-OG1 3.38Å; T312-R316 PolarHBondContact O-N 3.26Å |
| 313 | R | 96 | Very high | 95.6 | Very high | 168 Ų | 168 | 113.3 Ų | 113.3 | 63% | 0.634 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 174.1 | -177.6 | 177.6 | 173.4 | -178.1 | -2.4 | 111.5 | R309 L310 R316 L317 | R309-R313 PolarHBondContact O-N 3.17Å; L310-R313 PolarHBondContact O-N 2.91Å; R313-R316 PolarHBondContact O-N 3.48Å; R313-L317 HydrophobicContact CG-CD1 4.1Å; R313-L317 HydrophobicContact CG-CG 4.48Å; R313-L317 WeakPolarHBondContact O-CG 3.29Å; R313-L317 PolarHBondContact O-N 3.42Å |
| 314 | N | 95.6 | Very high | 95.7 | Very high | 82 Ų | 82 | 113.3 Ų | 113.3 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | -179 | -167.5 | 53.2 | 0 | 0 | 0 | 111.3 | L310 K311 R316 L317 E318 | L310-N314 WeakPolarHBondContact O-CB 3.33Å; L310-N314 PolarHBondContact O-N 3.26Å; K311-N314 PolarHBondContact O-N 3.41Å; N314-R316 VanDerWaalsContact C-N 3.3Å; N314-R316 PolarHBondContact O-N 3.48Å; N314-L317 PolarHBondContact O-N 3.38Å; N314-L317 VanDerWaalsContact O-N 3.08Å; N314-E318 PolarHBondContact ND2-OE1 3.07Å; N314-E318 WeakPolarHBondContact O-CG 3.27Å; N314-E318 PolarHBondContact O-N 2.91Å |
| 315 | T | 96.5 | Very high | 95.8 | Very high | 69 Ų | 69 | 109.9 Ų | 109.9 | 42% | 0.423 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -34.6 | 176.2 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | K311 T312 K319 | K311-T315 WeakPolarHBondContact O-CG2 3.45Å; K311-T315 PolarHBondContact O-N 2.87Å; K311-T315 PolarHBondContact O-OG1 3.45Å; K311-T315 VanDerWaalsContact O-OG1 3.06Å; T312-T315 PolarHBondContact O-OG1 3.38Å; T315-K319 WeakPolarHBondContact O-CG 3.36Å; T315-K319 PolarHBondContact O-N 3.19Å |
| 316 | R | 96.5 | Very high | 95.9 | Very high | 190 Ų | 190 | 112.9 Ų | 112.9 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.9 | -43.7 | 171.2 | -79.5 | -173 | -169.1 | -177.9 | 3.5 | 112.3 | T312 R313 N314 K319 K320 | T312-R316 PolarHBondContact O-N 3.26Å; R313-R316 PolarHBondContact O-N 3.48Å; N314-R316 VanDerWaalsContact C-N 3.3Å; N314-R316 PolarHBondContact O-N 3.48Å; R316-K319 PolarHBondContact O-N 3.07Å; R316-K320 PolarHBondContact O-N 3.5Å |
| 317 | L | 95.7 | Very high | 96 | Very high | 85 Ų | 85 | 112.6 Ų | 112.6 | 45% | 0.445 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 179.4 | -72.7 | 174.1 | 0 | 0 | 0 | 111.4 | R313 N314 K319 K320 V321 | R313-L317 HydrophobicContact CG-CD1 4.1Å; R313-L317 HydrophobicContact CG-CG 4.48Å; R313-L317 WeakPolarHBondContact O-CG 3.29Å; R313-L317 PolarHBondContact O-N 3.42Å; N314-L317 PolarHBondContact O-N 3.38Å; N314-L317 VanDerWaalsContact O-N 3.08Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3Å; L317-K320 CarbonylContact O-C 3.45Å; L317-K320 WeakPolarHBondContact O-CB 3.28Å; L317-K320 PolarHBondContact O-N 2.94Å; L317-K320 VanDerWaalsContact O-N 3.07Å; L317-V321 WeakPolarHBondContact O-CG2 3.49Å; L317-V321 PolarHBondContact O-N 2.98Å |
| 318 | E | 96.3 | Very high | 96 | Very high | 95 Ų | 95 | 110.3 Ų | 110.3 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 174.5 | -76.6 | 173.6 | -177.1 | 0 | 0 | 112.1 | N314 K320 V321 K322 | N314-E318 PolarHBondContact ND2-OE1 3.07Å; N314-E318 WeakPolarHBondContact O-CG 3.27Å; N314-E318 PolarHBondContact O-N 2.91Å; E318-K320 VanDerWaalsContact C-N 3.32Å; E318-K320 PolarHBondContact O-N 3Å; E318-V321 PolarHBondContact O-N 2.95Å; E318-K322 WeakPolarHBondContact O-CB 3.32Å; E318-K322 WeakPolarHBondContact O-CG 3.34Å; E318-K322 PolarHBondContact O-N 3.07Å |
| 319 | K | 96.6 | Very high | 96.1 | Very high | 163 Ų | 163 | 112.5 Ų | 112.5 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 173.9 | -75 | -179.6 | -179.9 | -174.3 | 0 | 111.9 | T315 R316 L317 K322 G323 | T315-K319 WeakPolarHBondContact O-CG 3.36Å; T315-K319 PolarHBondContact O-N 3.19Å; R316-K319 PolarHBondContact O-N 3.07Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3Å; K319-K322 PolarHBondContact O-N 3.1Å; K319-G323 PolarHBondContact O-N 2.97Å |
| 320 | K | 96.4 | Very high | 96.2 | Very high | 138 Ų | 138 | 107 Ų | 107 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | 178.5 | -168.5 | 170.7 | -177.5 | 177.6 | 0 | 112 | R316 L317 E318 G323 L324 | R316-K320 PolarHBondContact O-N 3.5Å; L317-K320 CarbonylContact O-C 3.45Å; L317-K320 WeakPolarHBondContact O-CB 3.28Å; L317-K320 PolarHBondContact O-N 2.94Å; L317-K320 VanDerWaalsContact O-N 3.07Å; E318-K320 VanDerWaalsContact C-N 3.32Å; E318-K320 PolarHBondContact O-N 3Å; K320-G323 PolarHBondContact O-N 3.49Å; K320-L324 HydrophobicContact CG-CD1 4.08Å; K320-L324 HydrophobicContact CG-CG 4.49Å; K320-L324 WeakPolarHBondContact O-CB 3.46Å; K320-L324 WeakPolarHBondContact O-CG 3.37Å; K320-L324 PolarHBondContact O-N 3.31Å |
| 321 | V | 95.9 | Very high | 96.2 | Very high | 89 Ų | 89 | 107.3 Ų | 107.3 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | L317 E318 G323 L324 T325 | L317-V321 WeakPolarHBondContact O-CG2 3.49Å; L317-V321 PolarHBondContact O-N 2.98Å; E318-V321 PolarHBondContact O-N 2.95Å; V321-G323 VanDerWaalsContact C-N 3.35Å; V321-G323 PolarHBondContact O-N 3.17Å; V321-L324 PolarHBondContact O-N 3.45Å; V321-T325 HydrophobicContact CG1-CG2 4.4Å; V321-T325 WeakPolarHBondContact O-CB 3.41Å; V321-T325 WeakPolarHBondContact O-CG2 3.37Å; V321-T325 PolarHBondContact O-N 3.36Å; V321-T325 PolarHBondContact O-OG1 3.34Å |
| 322 | K | 96.5 | Very high | 96.2 | Very high | 150 Ų | 150 | 105.6 Ų | 105.6 | 65% | 0.652 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 175.3 | -73.6 | -179.5 | 179.2 | -177.1 | 0 | 112.9 | E318 K319 T325 W326 | E318-K322 WeakPolarHBondContact O-CB 3.32Å; E318-K322 WeakPolarHBondContact O-CG 3.34Å; E318-K322 PolarHBondContact O-N 3.07Å; K319-K322 PolarHBondContact O-N 3.1Å; K322-T325 VanDerWaalsContact CA-OG1 3.28Å; K322-T325 WeakPolarHBondContact CA-OG1 3.4Å; K322-T325 PolarHBondContact O-OG1 2.82Å; K322-W326 PolarHBondContact O-N 2.86Å |
| 323 | G | 96.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 108.1 Ų | 108.1 | 40% | 0.402 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K319 K320 V321 T325 W326 E327 | K319-G323 PolarHBondContact O-N 2.97Å; K320-G323 PolarHBondContact O-N 3.49Å; V321-G323 VanDerWaalsContact C-N 3.35Å; V321-G323 PolarHBondContact O-N 3.17Å; G323-T325 PolarHBondContact O-N 3.02Å; G323-W326 PolarHBondContact O-N 3.41Å; G323-E327 WeakPolarHBondContact O-CB 3.33Å; G323-E327 PolarHBondContact O-N 3.12Å |
| 324 | L | 95.7 | Very high | 96.3 | Very high | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -34.6 | -179.6 | -72.3 | 171.8 | 0 | 0 | 0 | 113 | K320 V321 A328 | K320-L324 HydrophobicContact CG-CD1 4.08Å; K320-L324 HydrophobicContact CG-CG 4.49Å; K320-L324 WeakPolarHBondContact O-CB 3.46Å; K320-L324 WeakPolarHBondContact O-CG 3.37Å; K320-L324 PolarHBondContact O-N 3.31Å; V321-L324 PolarHBondContact O-N 3.45Å; L324-A328 VanDerWaalsContact O-CB 3.3Å; L324-A328 WeakPolarHBondContact O-CB 3.42Å; L324-A328 PolarHBondContact O-N 3.05Å |
| 325 | T | 96.2 | Very high | 96.3 | Very high | 68 Ų | 68 | 107.2 Ų | 107.2 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 176 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | V321 K322 G323 E327 A328 E329 | V321-T325 HydrophobicContact CG1-CG2 4.4Å; V321-T325 WeakPolarHBondContact O-CB 3.41Å; V321-T325 WeakPolarHBondContact O-CG2 3.37Å; V321-T325 PolarHBondContact O-N 3.36Å; V321-T325 PolarHBondContact O-OG1 3.34Å; K322-T325 VanDerWaalsContact CA-OG1 3.28Å; K322-T325 WeakPolarHBondContact CA-OG1 3.4Å; K322-T325 PolarHBondContact O-OG1 2.82Å; G323-T325 PolarHBondContact O-N 3.02Å; T325-E327 PolarHBondContact O-N 3.36Å; T325-A328 PolarHBondContact O-N 3.21Å; T325-E329 WeakPolarHBondContact O-CG 3.25Å; T325-E329 PolarHBondContact O-N 2.81Å |
| 326 | W | 97.2 | Very high | 96.3 | Very high | 175 Ų | 175 | 108.3 Ų | 108.3 | 66% | 0.663 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -40 | 175.7 | -174.9 | 78.3 | 0 | 0 | 0 | 112.9 | K322 G323 E329 T330 | K322-W326 PolarHBondContact O-N 2.86Å; G323-W326 PolarHBondContact O-N 3.41Å; W326-E329 PolarHBondContact O-N 3.3Å; W326-T330 WeakPolarHBondContact O-CB 3.49Å; W326-T330 PolarHBondContact O-N 3.33Å; W326-T330 PolarHBondContact O-OG1 2.91Å |
| 327 | E | 96.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 101.6 Ų | 101.6 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.9 | -171.5 | 174.3 | -171.1 | 0 | 0 | 111.4 | G323 T325 T330 L331 | G323-E327 WeakPolarHBondContact O-CB 3.33Å; G323-E327 PolarHBondContact O-N 3.12Å; T325-E327 PolarHBondContact O-N 3.36Å; E327-T330 PolarHBondContact O-N 3.41Å; E327-L331 HydrophobicContact CG-CD1 4.37Å; E327-L331 WeakPolarHBondContact O-CG 3.44Å; E327-L331 PolarHBondContact O-N 2.88Å |
| 328 | A | 94.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 101.2 Ų | 101.2 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L324 T325 T330 L331 I332 | L324-A328 VanDerWaalsContact O-CB 3.3Å; L324-A328 WeakPolarHBondContact O-CB 3.42Å; L324-A328 PolarHBondContact O-N 3.05Å; T325-A328 PolarHBondContact O-N 3.21Å; A328-T330 VanDerWaalsContact C-N 3.32Å; A328-T330 PolarHBondContact O-N 3.2Å; A328-L331 PolarHBondContact O-N 3.4Å; A328-I332 VanDerWaalsContact O-CG1 3.26Å; A328-I332 WeakPolarHBondContact O-CG1 3.44Å; A328-I332 PolarHBondContact O-N 3.17Å |
| 329 | E | 97 | Very high | 96.2 | Very high | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 175.8 | -74.1 | 171.9 | -176.7 | 0 | 0 | 111.7 | T325 W326 L331 I332 L333 | T325-E329 WeakPolarHBondContact O-CG 3.25Å; T325-E329 PolarHBondContact O-N 2.81Å; W326-E329 PolarHBondContact O-N 3.3Å; E329-L331 PolarHBondContact O-N 2.93Å; E329-I332 PolarHBondContact O-N 3.48Å; E329-L333 WeakPolarHBondContact O-CG 3.17Å; E329-L333 PolarHBondContact O-N 2.93Å |
| 330 | T | 96.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 94.3 Ų | 94.3 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.6 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | W326 E327 A328 L333 R334 | W326-T330 WeakPolarHBondContact O-CB 3.49Å; W326-T330 PolarHBondContact O-N 3.33Å; W326-T330 PolarHBondContact O-OG1 2.91Å; E327-T330 PolarHBondContact O-N 3.41Å; A328-T330 VanDerWaalsContact C-N 3.32Å; A328-T330 PolarHBondContact O-N 3.2Å; T330-L333 PolarHBondContact O-N 3.42Å; T330-R334 WeakPolarHBondContact O-CB 3.39Å; T330-R334 PolarHBondContact O-N 2.91Å |
| 331 | L | 96 | Very high | 96.1 | Very high | 109 Ų | 109 | 92.7 Ų | 92.7 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.7 | -38.3 | 176.8 | -73.9 | 172 | 0 | 0 | 0 | 112.3 | E327 A328 E329 R334 N335 | E327-L331 HydrophobicContact CG-CD1 4.37Å; E327-L331 WeakPolarHBondContact O-CG 3.44Å; E327-L331 PolarHBondContact O-N 2.88Å; A328-L331 PolarHBondContact O-N 3.4Å; E329-L331 PolarHBondContact O-N 2.93Å; L331-R334 PolarHBondContact O-N 3.23Å; L331-N335 WeakPolarHBondContact O-CB 3.42Å; L331-N335 PolarHBondContact O-N 3.3Å |
| 332 | I | 96.9 | Very high | 96.1 | Very high | 98 Ų | 98 | 95.3 Ų | 95.3 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -50.8 | 175.3 | -70.9 | 164.7 | 0 | 0 | 0 | 110 | A328 E329 R334 N335 D336 | A328-I332 VanDerWaalsContact O-CG1 3.26Å; A328-I332 WeakPolarHBondContact O-CG1 3.44Å; A328-I332 PolarHBondContact O-N 3.17Å; E329-I332 PolarHBondContact O-N 3.48Å; I332-R334 VanDerWaalsContact C-N 3.28Å; I332-R334 PolarHBondContact O-N 3.5Å; I332-N335 WeakPolarHBondContact O-CB 3.31Å; I332-N335 PolarHBondContact O-N 3.47Å; I332-N335 VanDerWaalsContact O-N 3.09Å; I332-D336 PolarHBondContact O-N 3.29Å |
| 333 | L | 96 | Very high | 96 | Very high | 124 Ų | 124 | 91.9 Ų | 91.9 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59 | -39.9 | 177.7 | -70.9 | 172.6 | 0 | 0 | 0 | 112.4 | E329 T330 D336 S337 | E329-L333 WeakPolarHBondContact O-CG 3.17Å; E329-L333 PolarHBondContact O-N 2.93Å; T330-L333 PolarHBondContact O-N 3.42Å; L333-D336 PolarHBondContact O-N 3.47Å; L333-S337 PolarHBondContact O-N 2.98Å; L333-S337 VanDerWaalsContact O-N 3.13Å |
| 334 | R | 96.2 | Very high | 96 | Very high | 140 Ų | 140 | 91.1 Ų | 91.1 | 53% | 0.528 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 176.2 | -177.2 | 57.2 | 176.9 | 169.7 | 4 | 111.8 | T330 L331 I332 S337 L338 | T330-R334 WeakPolarHBondContact O-CB 3.39Å; T330-R334 PolarHBondContact O-N 2.91Å; L331-R334 PolarHBondContact O-N 3.23Å; I332-R334 VanDerWaalsContact C-N 3.28Å; I332-R334 PolarHBondContact O-N 3.5Å; R334-S337 PolarHBondContact O-N 3Å; R334-L338 HydrophobicContact CG-CD1 4.31Å; R334-L338 WeakPolarHBondContact O-CG 3.21Å; R334-L338 PolarHBondContact O-N 3.27Å |
| 335 | N | 95.8 | Very high | 95.9 | Very high | 92 Ų | 92 | 91.6 Ų | 91.6 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 177 | -177 | 61.4 | 0 | 0 | 0 | 111.4 | L331 I332 S337 L338 V339 | L331-N335 WeakPolarHBondContact O-CB 3.42Å; L331-N335 PolarHBondContact O-N 3.3Å; I332-N335 WeakPolarHBondContact O-CB 3.31Å; I332-N335 PolarHBondContact O-N 3.47Å; I332-N335 VanDerWaalsContact O-N 3.09Å; N335-S337 VanDerWaalsContact C-N 3.31Å; N335-S337 PolarHBondContact O-N 2.92Å; N335-L338 PolarHBondContact O-N 3.36Å; N335-L338 VanDerWaalsContact O-N 3.12Å; N335-V339 WeakPolarHBondContact O-CG2 3.37Å; N335-V339 PolarHBondContact O-N 2.87Å |
| 336 | D | 96.3 | Very high | 95.8 | Very high | 91 Ų | 91 | 94 Ų | 94 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 177.5 | -67.3 | -16 | 0 | 0 | 0 | 111.4 | I332 L333 L338 V339 A340 | I332-D336 PolarHBondContact O-N 3.29Å; L333-D336 PolarHBondContact O-N 3.47Å; D336-L338 PolarHBondContact O-N 2.88Å; D336-V339 PolarHBondContact O-N 2.94Å; D336-A340 WeakPolarHBondContact O-CB 3.44Å; D336-A340 PolarHBondContact O-N 3.43Å |
| 337 | S | 95.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 91.9 Ų | 91.9 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 173.5 | -176.9 | 0 | 0 | 0 | 0 | 112.6 | L333 R334 N335 A340 E341 | L333-S337 PolarHBondContact O-N 2.98Å; L333-S337 VanDerWaalsContact O-N 3.13Å; R334-S337 PolarHBondContact O-N 3Å; N335-S337 VanDerWaalsContact C-N 3.31Å; N335-S337 PolarHBondContact O-N 2.92Å; S337-A340 PolarHBondContact O-N 2.94Å; S337-E341 WeakPolarHBondContact O-CG 3.28Å; S337-E341 PolarHBondContact O-N 3.02Å |
| 338 | L | 95.7 | Very high | 95.6 | Very high | 77 Ų | 77 | 93.9 Ų | 93.9 | 40% | 0.403 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 179.4 | -73.2 | 172.3 | 0 | 0 | 0 | 112.2 | R334 N335 D336 E341 R342 | R334-L338 HydrophobicContact CG-CD1 4.31Å; R334-L338 WeakPolarHBondContact O-CG 3.21Å; R334-L338 PolarHBondContact O-N 3.27Å; N335-L338 PolarHBondContact O-N 3.36Å; N335-L338 VanDerWaalsContact O-N 3.12Å; D336-L338 PolarHBondContact O-N 2.88Å; L338-E341 PolarHBondContact O-N 3.44Å; L338-R342 WeakPolarHBondContact O-CB 3.4Å; L338-R342 PolarHBondContact O-N 2.8Å |
| 339 | V | 96.5 | Very high | 95.5 | Very high | 50 Ų | 50 | 98 Ų | 98 | 30% | 0.303 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 174 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | N335 D336 R342 E343 | N335-V339 WeakPolarHBondContact O-CG2 3.37Å; N335-V339 PolarHBondContact O-N 2.87Å; D336-V339 PolarHBondContact O-N 2.94Å; V339-R342 WeakPolarHBondContact O-CB 3.28Å; V339-R342 PolarHBondContact O-N 3.24Å; V339-E343 WeakPolarHBondContact O-CG 3.38Å; V339-E343 PolarHBondContact O-N 3.37Å |
| 340 | A | 95 | Very high | 95.4 | Very high | 63 Ų | 63 | 96.4 Ų | 96.4 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D336 S337 R342 E343 G344 | D336-A340 WeakPolarHBondContact O-CB 3.44Å; D336-A340 PolarHBondContact O-N 3.43Å; S337-A340 PolarHBondContact O-N 2.94Å; A340-R342 PolarHBondContact O-N 3.4Å; A340-E343 PolarHBondContact O-N 3.03Å; A340-G344 PolarHBondContact O-N 3.27Å |
| 341 | E | 95.4 | Very high | 95.3 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.6 | -77.9 | 179.7 | -171.7 | 0 | 0 | 112.3 | S337 L338 G344 L345 | S337-E341 WeakPolarHBondContact O-CG 3.28Å; S337-E341 PolarHBondContact O-N 3.02Å; L338-E341 PolarHBondContact O-N 3.44Å; E341-G344 PolarHBondContact O-N 2.95Å; E341-L345 WeakPolarHBondContact O-CB 3.3Å; E341-L345 WeakPolarHBondContact O-CG 3.48Å; E341-L345 PolarHBondContact O-N 2.91Å |
| 342 | R | 96 | Very high | 95.2 | Very high | 144 Ų | 144 | 97.3 Ų | 97.3 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 177.2 | -175.4 | -165.9 | 74.1 | -155.6 | 1.7 | 111.4 | L338 V339 A340 G344 L345 K346 | L338-R342 WeakPolarHBondContact O-CB 3.4Å; L338-R342 PolarHBondContact O-N 2.8Å; V339-R342 WeakPolarHBondContact O-CB 3.28Å; V339-R342 PolarHBondContact O-N 3.24Å; A340-R342 PolarHBondContact O-N 3.4Å; R342-G344 VanDerWaalsContact C-N 3.35Å; R342-L345 PolarHBondContact O-N 2.73Å; R342-K346 WeakPolarHBondContact O-CB 3.42Å; R342-K346 PolarHBondContact O-N 2.9Å |
| 343 | E | 95.1 | Very high | 95 | Very high | 78 Ų | 78 | 95.5 Ų | 95.5 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.7 | -67.4 | -50.8 | 133 | 0 | 0 | 111.1 | V339 A340 L345 K346 E347 | V339-E343 WeakPolarHBondContact O-CG 3.38Å; V339-E343 PolarHBondContact O-N 3.37Å; A340-E343 PolarHBondContact O-N 3.03Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 3.1Å; E343-K346 WeakPolarHBondContact O-CB 3.42Å; E343-K346 PolarHBondContact O-N 2.93Å; E343-K346 VanDerWaalsContact O-N 3.16Å; E343-E347 PolarHBondContact O-N 3.06Å |
| 344 | G | 94.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 92.9 Ų | 92.9 | 25% | 0.247 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.3 | -28.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A340 E341 R342 R348 | A340-G344 PolarHBondContact O-N 3.27Å; E341-G344 PolarHBondContact O-N 2.95Å; R342-G344 VanDerWaalsContact C-N 3.35Å; G344-R348 WeakPolarHBondContact O-CG 3.37Å; G344-R348 PolarHBondContact O-N 3.47Å; G344-R348 PolarHBondContact O-NE 3.24Å |
| 345 | L | 94.7 | Very high | 94.7 | Very high | 103 Ų | 103 | 90.7 Ų | 90.7 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 170.8 | -83.3 | 164.8 | 0 | 0 | 0 | 111.8 | E341 R342 E343 R348 F349 | E341-L345 WeakPolarHBondContact O-CB 3.3Å; E341-L345 WeakPolarHBondContact O-CG 3.48Å; E341-L345 PolarHBondContact O-N 2.91Å; R342-L345 PolarHBondContact O-N 2.73Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 3.1Å; L345-R348 PolarHBondContact O-N 3.07Å; L345-F349 WeakPolarHBondContact O-CB 3.41Å; L345-F349 PolarHBondContact O-N 3.37Å |
| 346 | K | 94.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 91.5 Ų | 91.5 | 52% | 0.522 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.6 | -172.4 | -178.5 | 176.1 | -170.8 | 0 | 111.9 | R342 E343 F349 N350 | R342-K346 WeakPolarHBondContact O-CB 3.42Å; R342-K346 PolarHBondContact O-N 2.9Å; E343-K346 WeakPolarHBondContact O-CB 3.42Å; E343-K346 PolarHBondContact O-N 2.93Å; E343-K346 VanDerWaalsContact O-N 3.16Å; K346-F349 PolarHBondContact O-N 2.94Å; K346-N350 PolarHBondContact O-N 3.47Å; K346-N350 VanDerWaalsContact O-N 3.09Å; K346-N350 PolarHBondContact O-ND2 3.4Å |
| 347 | E | 94.4 | Very high | 94.4 | Very high | 130 Ų | 130 | 93.2 Ų | 93.2 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.8 | -52 | 174.3 | -170.6 | 173.5 | -163 | 0 | 0 | 111 | E343 F349 N350 D351 | E343-E347 PolarHBondContact O-N 3.06Å; E347-F349 VanDerWaalsContact C-N 3.28Å; E347-F349 PolarHBondContact O-N 3.26Å; E347-N350 WeakPolarHBondContact O-CB 3.31Å; E347-N350 PolarHBondContact O-N 3.04Å; E347-D351 PolarHBondContact O-N 2.93Å |
| 348 | R | 94.9 | Very high | 94.2 | Very high | 151 Ų | 151 | 96.6 Ų | 96.6 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -38.8 | 176.3 | -75.3 | -177.8 | -77.1 | -178.6 | -4.3 | 113.3 | G344 L345 D351 V352 | G344-R348 WeakPolarHBondContact O-CG 3.37Å; G344-R348 PolarHBondContact O-N 3.47Å; G344-R348 PolarHBondContact O-NE 3.24Å; L345-R348 PolarHBondContact O-N 3.07Å; R348-D351 PolarHBondContact O-N 3.25Å; R348-V352 VanDerWaalsContact O-CG2 3.32Å; R348-V352 WeakPolarHBondContact O-CG2 3.42Å; R348-V352 PolarHBondContact O-N 3.02Å |
| 349 | F | 93.2 | Very high | 94.1 | Very high | 133 Ų | 133 | 98.9 Ų | 98.9 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 176.3 | 177.3 | -101.9 | 0 | 0 | 0 | 111.7 | L345 K346 E347 V352 I353 | L345-F349 WeakPolarHBondContact O-CB 3.41Å; L345-F349 PolarHBondContact O-N 3.37Å; K346-F349 PolarHBondContact O-N 2.94Å; E347-F349 VanDerWaalsContact C-N 3.28Å; E347-F349 PolarHBondContact O-N 3.26Å; F349-V352 PolarHBondContact O-N 3.48Å; F349-I353 HydrophobicContact CD1-CD1 3.77Å; F349-I353 HydrophobicContact CE1-CD1 3.18Å; F349-I353 HydrophobicContact CE1-CG1 4.27Å; F349-I353 HydrophobicContact CE2-CD1 4.11Å; F349-I353 HydrophobicContact CG-CD1 4.46Å; F349-I353 HydrophobicContact CZ-CD1 3.4Å; F349-I353 HydrophobicContact CZ-CG1 4.27Å; F349-I353 WeakPolarHBondContact O-CG1 3.49Å; F349-I353 PolarHBondContact O-N 2.94Å |
| 350 | N | 94.3 | Very high | 93.9 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.9 | -72.2 | -24.6 | 0 | 0 | 0 | 111.6 | K346 E347 V352 I353 V354 | K346-N350 PolarHBondContact O-N 3.47Å; K346-N350 VanDerWaalsContact O-N 3.09Å; K346-N350 PolarHBondContact O-ND2 3.4Å; E347-N350 WeakPolarHBondContact O-CB 3.31Å; E347-N350 PolarHBondContact O-N 3.04Å; N350-V352 PolarHBondContact O-N 2.9Å; N350-I353 PolarHBondContact O-N 3.43Å; N350-V354 WeakPolarHBondContact O-CG2 3.35Å; N350-V354 PolarHBondContact O-N 3.49Å |
| 351 | D | 94.2 | Very high | 93.7 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 177 | -68.3 | -22 | 0 | 0 | 0 | 111.6 | E347 R348 I353 V354 E355 | E347-D351 PolarHBondContact O-N 2.93Å; R348-D351 PolarHBondContact O-N 3.25Å; D351-I353 VanDerWaalsContact C-N 3.34Å; D351-I353 PolarHBondContact O-N 2.95Å; D351-V354 PolarHBondContact O-N 3.35Å; D351-E355 WeakPolarHBondContact O-CB 3.46Å; D351-E355 PolarHBondContact O-N 3.36Å |
| 352 | V | 93.4 | Very high | 93.6 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -39.4 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | R348 F349 N350 E355 L356 | R348-V352 VanDerWaalsContact O-CG2 3.32Å; R348-V352 WeakPolarHBondContact O-CG2 3.42Å; R348-V352 PolarHBondContact O-N 3.02Å; F349-V352 PolarHBondContact O-N 3.48Å; N350-V352 PolarHBondContact O-N 2.9Å; V352-E355 PolarHBondContact O-N 2.88Å; V352-L356 VanDerWaalsContact O-CB 3.3Å; V352-L356 WeakPolarHBondContact O-CB 3.32Å; V352-L356 PolarHBondContact O-N 2.88Å |
| 353 | I | 92.7 | Very high | 93.5 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 175.5 | -75.3 | 178.4 | 0 | 0 | 0 | 110.8 | F349 N350 D351 E355 L356 Q357 | F349-I353 HydrophobicContact CD1-CD1 3.77Å; F349-I353 HydrophobicContact CE1-CD1 3.18Å; F349-I353 HydrophobicContact CE1-CG1 4.27Å; F349-I353 HydrophobicContact CE2-CD1 4.11Å; F349-I353 HydrophobicContact CG-CD1 4.46Å; F349-I353 HydrophobicContact CZ-CD1 3.4Å; F349-I353 HydrophobicContact CZ-CG1 4.27Å; F349-I353 WeakPolarHBondContact O-CG1 3.49Å; F349-I353 PolarHBondContact O-N 2.94Å; N350-I353 PolarHBondContact O-N 3.43Å; D351-I353 VanDerWaalsContact C-N 3.34Å; D351-I353 PolarHBondContact O-N 2.95Å; I353-E355 VanDerWaalsContact C-N 3.32Å; I353-E355 PolarHBondContact O-N 3.4Å; I353-L356 PolarHBondContact O-N 3.36Å; I353-Q357 HydrophobicContact CG2-CG 4.35Å; I353-Q357 WeakPolarHBondContact O-CB 3.45Å; I353-Q357 WeakPolarHBondContact O-CG 3.48Å; I353-Q357 PolarHBondContact O-N 3.3Å |
| 354 | V | 94.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 99.1 Ų | 99.1 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | -179.5 | 172 | 0 | 0 | 0 | 0 | 110.1 | N350 D351 L356 Q357 Q358 | N350-V354 WeakPolarHBondContact O-CG2 3.35Å; N350-V354 PolarHBondContact O-N 3.49Å; D351-V354 PolarHBondContact O-N 3.35Å; V354-L356 PolarHBondContact O-N 3.5Å; V354-Q357 PolarHBondContact O-N 3.01Å; V354-Q358 HydrophobicContact CG1-CG 4.47Å; V354-Q358 WeakPolarHBondContact O-CB 3.33Å; V354-Q358 VanDerWaalsContact O-CG 3.29Å; V354-Q358 WeakPolarHBondContact O-CG 3.49Å; V354-Q358 PolarHBondContact O-N 3.48Å |
| 355 | E | 93.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.6 | -165.8 | -171.6 | 166.6 | 0 | 0 | 111.8 | D351 V352 I353 Q358 K359 | D351-E355 WeakPolarHBondContact O-CB 3.46Å; D351-E355 PolarHBondContact O-N 3.36Å; V352-E355 PolarHBondContact O-N 2.88Å; I353-E355 VanDerWaalsContact C-N 3.32Å; I353-E355 PolarHBondContact O-N 3.4Å; E355-Q358 PolarHBondContact O-N 2.79Å; E355-K359 WeakPolarHBondContact O-CG 3.5Å; E355-K359 PolarHBondContact O-N 2.97Å; E355-K359 WeakPolarHBondContact OE1-CE 3.34Å; E355-K359 IonicContact OE1-NZ 2.84Å; E355-K359 PolarHBondContact OE1-NZ 3.12Å |
| 356 | L | 93.4 | Very high | 93.4 | Very high | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 176.9 | -176.8 | 66.7 | 0 | 0 | 0 | 111.8 | V352 I353 V354 K359 T360 | V352-L356 VanDerWaalsContact O-CB 3.3Å; V352-L356 WeakPolarHBondContact O-CB 3.32Å; V352-L356 PolarHBondContact O-N 2.88Å; I353-L356 PolarHBondContact O-N 3.36Å; V354-L356 PolarHBondContact O-N 3.5Å; L356-K359 PolarHBondContact O-N 3.03Å; L356-T360 HydrophobicContact CD1-CG2 4.39Å; L356-T360 WeakPolarHBondContact O-CB 3.43Å; L356-T360 WeakPolarHBondContact O-CG2 3.48Å; L356-T360 PolarHBondContact O-N 2.94Å; L356-T360 PolarHBondContact O-OG1 2.95Å |
| 357 | Q | 90.7 | Very high | 93.4 | Very high | 126 Ų | 126 | 100.5 Ų | 100.5 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 175.6 | -75.8 | 179.6 | -12.3 | 0 | 0 | 111.5 | I353 V354 T360 G361 | I353-Q357 HydrophobicContact CG2-CG 4.35Å; I353-Q357 WeakPolarHBondContact O-CB 3.45Å; I353-Q357 WeakPolarHBondContact O-CG 3.48Å; I353-Q357 PolarHBondContact O-N 3.3Å; V354-Q357 PolarHBondContact O-N 3.01Å; Q357-T360 WeakPolarHBondContact CA-OG1 3.32Å; Q357-T360 PolarHBondContact O-OG1 3.47Å; Q357-T360 VanDerWaalsContact O-OG1 3.11Å; Q357-G361 WeakPolarHBondContact O-CA 3.37Å; Q357-G361 PolarHBondContact O-N 2.99Å |
| 358 | Q | 91.8 | Very high | 93.4 | Very high | 121 Ų | 121 | 100.4 Ų | 100.4 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 175.4 | -73.9 | 176.2 | 8.8 | 0 | 0 | 111.8 | V354 E355 G361 L362 | V354-Q358 HydrophobicContact CG1-CG 4.47Å; V354-Q358 WeakPolarHBondContact O-CB 3.33Å; V354-Q358 VanDerWaalsContact O-CG 3.29Å; V354-Q358 WeakPolarHBondContact O-CG 3.49Å; V354-Q358 PolarHBondContact O-N 3.48Å; E355-Q358 PolarHBondContact O-N 2.79Å; Q358-G361 PolarHBondContact O-N 2.99Å; Q358-L362 WeakPolarHBondContact O-CB 3.43Å; Q358-L362 WeakPolarHBondContact O-CG 3.37Å; Q358-L362 PolarHBondContact O-N 3.34Å |
| 359 | K | 93.1 | Very high | 93.4 | Very high | 125 Ų | 125 | 102.1 Ų | 102.1 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 178.7 | -75.3 | 179.1 | -176.3 | 168.2 | 0 | 112.2 | E355 L356 K363 | E355-K359 WeakPolarHBondContact O-CG 3.5Å; E355-K359 PolarHBondContact O-N 2.97Å; E355-K359 WeakPolarHBondContact OE1-CE 3.34Å; E355-K359 IonicContact OE1-NZ 2.84Å; E355-K359 PolarHBondContact OE1-NZ 3.12Å; L356-K359 PolarHBondContact O-N 3.03Å; K359-K363 WeakPolarHBondContact O-CB 3.39Å; K359-K363 PolarHBondContact O-N 3.08Å; K359-K363 VanDerWaalsContact O-N 3.1Å |
| 360 | T | 92.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 102.4 Ų | 102.4 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 177.2 | 51 | 0 | 0 | 0 | 0 | 111.4 | L356 Q357 K363 N364 | L356-T360 HydrophobicContact CD1-CG2 4.39Å; L356-T360 WeakPolarHBondContact O-CB 3.43Å; L356-T360 WeakPolarHBondContact O-CG2 3.48Å; L356-T360 PolarHBondContact O-N 2.94Å; L356-T360 PolarHBondContact O-OG1 2.95Å; Q357-T360 WeakPolarHBondContact CA-OG1 3.32Å; Q357-T360 PolarHBondContact O-OG1 3.47Å; Q357-T360 VanDerWaalsContact O-OG1 3.11Å; T360-K363 PolarHBondContact O-N 3.36Å; T360-N364 VanDerWaalsContact O-CG 3.29Å; T360-N364 PolarHBondContact O-N 2.86Å; T360-N364 PolarHBondContact O-OD1 3.38Å |
| 361 | G | 91.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 103.2 Ų | 103.2 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q357 Q358 K363 N364 V365 | Q357-G361 WeakPolarHBondContact O-CA 3.37Å; Q357-G361 PolarHBondContact O-N 2.99Å; Q358-G361 PolarHBondContact O-N 2.99Å; G361-K363 VanDerWaalsContact C-N 3.35Å; G361-K363 PolarHBondContact O-N 3.3Å; G361-N364 PolarHBondContact O-N 3.45Å; G361-V365 WeakPolarHBondContact O-CG2 3.32Å; G361-V365 PolarHBondContact O-N 3.06Å |
| 362 | L | 93.4 | Very high | 93.5 | Very high | 118 Ų | 118 | 100.1 Ų | 100.1 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 175.1 | -77.3 | 164.6 | 0 | 0 | 0 | 112 | Q358 N364 V365 L366 | Q358-L362 WeakPolarHBondContact O-CB 3.43Å; Q358-L362 WeakPolarHBondContact O-CG 3.37Å; Q358-L362 PolarHBondContact O-N 3.34Å; L362-N364 VanDerWaalsContact C-N 3.35Å; L362-N364 PolarHBondContact O-N 3.4Å; L362-V365 PolarHBondContact O-N 2.94Å; L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 WeakPolarHBondContact O-CG 3.19Å; L362-L366 PolarHBondContact O-N 3.39Å |
| 363 | K | 94.4 | Very high | 93.6 | Very high | 138 Ų | 138 | 98.3 Ų | 98.3 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | 177 | -171.3 | 178.5 | -179.2 | -177.7 | 0 | 111.4 | K359 T360 G361 L366 L367 | K359-K363 WeakPolarHBondContact O-CB 3.39Å; K359-K363 PolarHBondContact O-N 3.08Å; K359-K363 VanDerWaalsContact O-N 3.1Å; T360-K363 PolarHBondContact O-N 3.36Å; G361-K363 VanDerWaalsContact C-N 3.35Å; G361-K363 PolarHBondContact O-N 3.3Å; K363-L366 PolarHBondContact O-N 2.95Å; K363-L367 HydrophobicContact CG-CD1 4.25Å; K363-L367 VanDerWaalsContact O-CG 3.31Å; K363-L367 WeakPolarHBondContact O-CG 3.43Å; K363-L367 PolarHBondContact O-N 3.23Å |
| 364 | N | 93.7 | Very high | 93.7 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 178 | -72 | -7.3 | 0 | 0 | 0 | 111.4 | T360 G361 L362 L366 L367 E368 | T360-N364 VanDerWaalsContact O-CG 3.29Å; T360-N364 PolarHBondContact O-N 2.86Å; T360-N364 PolarHBondContact O-OD1 3.38Å; G361-N364 PolarHBondContact O-N 3.45Å; L362-N364 VanDerWaalsContact C-N 3.35Å; L362-N364 PolarHBondContact O-N 3.4Å; N364-L366 VanDerWaalsContact C-N 3.29Å; N364-L366 PolarHBondContact O-N 3.42Å; N364-L367 PolarHBondContact O-N 3.4Å; N364-L367 VanDerWaalsContact O-N 3.09Å; N364-E368 WeakPolarHBondContact O-CG 3.37Å; N364-E368 PolarHBondContact O-N 3.47Å |
| 365 | V | 94.3 | Very high | 93.8 | Very high | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | G361 L362 E368 R369 | G361-V365 WeakPolarHBondContact O-CG2 3.32Å; G361-V365 PolarHBondContact O-N 3.06Å; L362-V365 PolarHBondContact O-N 2.94Å; V365-E368 PolarHBondContact O-N 2.87Å; V365-R369 WeakPolarHBondContact O-CB 3.45Å; V365-R369 VanDerWaalsContact O-CG 3.3Å; V365-R369 WeakPolarHBondContact O-CG 3.24Å; V365-R369 PolarHBondContact O-N 2.86Å |
| 366 | L | 93.6 | Very high | 93.9 | Very high | 117 Ų | 117 | 105.6 Ų | 105.6 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 175.6 | -74.5 | 171.7 | 0 | 0 | 0 | 112.2 | L362 K363 N364 R369 K370 | L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 WeakPolarHBondContact O-CG 3.19Å; L362-L366 PolarHBondContact O-N 3.39Å; K363-L366 PolarHBondContact O-N 2.95Å; N364-L366 VanDerWaalsContact C-N 3.29Å; N364-L366 PolarHBondContact O-N 3.42Å; L366-R369 PolarHBondContact O-N 2.94Å; L366-K370 WeakPolarHBondContact O-CB 3.49Å; L366-K370 PolarHBondContact O-N 2.99Å |
| 367 | L | 94.5 | Very high | 93.9 | Very high | 85 Ų | 85 | 104 Ų | 104 | 45% | 0.445 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 176.3 | -71.9 | 172.3 | 0 | 0 | 0 | 111.6 | K363 N364 R369 K370 I371 | K363-L367 HydrophobicContact CG-CD1 4.25Å; K363-L367 VanDerWaalsContact O-CG 3.31Å; K363-L367 WeakPolarHBondContact O-CG 3.43Å; K363-L367 PolarHBondContact O-N 3.23Å; N364-L367 PolarHBondContact O-N 3.4Å; N364-L367 VanDerWaalsContact O-N 3.09Å; L367-R369 PolarHBondContact O-N 3.4Å; L367-K370 WeakPolarHBondContact O-CB 3.03Å; L367-K370 PolarHBondContact O-N 3.26Å; L367-I371 WeakPolarHBondContact O-CG1 3.38Å; L367-I371 PolarHBondContact O-N 2.91Å |
| 368 | E | 94.5 | Very high | 94.1 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.3 | -45.8 | 174.8 | -74.6 | 175.2 | -177.4 | 0 | 0 | 111.5 | N364 V365 K370 I371 A372 | N364-E368 WeakPolarHBondContact O-CG 3.37Å; N364-E368 PolarHBondContact O-N 3.47Å; V365-E368 PolarHBondContact O-N 2.87Å; E368-K370 VanDerWaalsContact C-N 3.31Å; E368-K370 PolarHBondContact O-N 3.35Å; E368-I371 PolarHBondContact O-N 2.61Å; E368-A372 WeakPolarHBondContact O-CB 3.34Å; E368-A372 PolarHBondContact O-N 2.91Å |
| 369 | R | 94.5 | Very high | 94.2 | Very high | 187 Ų | 187 | 102.8 Ų | 102.8 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -38.7 | 175.8 | -73.1 | -179.4 | 79.1 | 164.8 | 6 | 112 | V365 L366 L367 A373 | V365-R369 WeakPolarHBondContact O-CB 3.45Å; V365-R369 VanDerWaalsContact O-CG 3.3Å; V365-R369 WeakPolarHBondContact O-CG 3.24Å; V365-R369 PolarHBondContact O-N 2.86Å; L366-R369 PolarHBondContact O-N 2.94Å; L367-R369 PolarHBondContact O-N 3.4Å; R369-A373 WeakPolarHBondContact O-CB 3.47Å; R369-A373 PolarHBondContact O-N 3.38Å |
| 370 | K | 95.8 | Very high | 94.2 | Very high | 139 Ų | 139 | 103 Ų | 103 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -44.2 | 176.3 | -174.3 | 174.6 | -179.8 | -180 | 0 | 111.3 | L366 L367 E368 A373 L374 | L366-K370 WeakPolarHBondContact O-CB 3.49Å; L366-K370 PolarHBondContact O-N 2.99Å; L367-K370 WeakPolarHBondContact O-CB 3.03Å; L367-K370 PolarHBondContact O-N 3.26Å; E368-K370 VanDerWaalsContact C-N 3.31Å; E368-K370 PolarHBondContact O-N 3.35Å; K370-A373 PolarHBondContact O-N 2.95Å; K370-L374 HydrophobicContact CG-CD1 4.24Å; K370-L374 WeakPolarHBondContact O-CG 3.48Å; K370-L374 PolarHBondContact O-N 2.91Å |
| 371 | I | 94.7 | Very high | 94.2 | Very high | 99 Ų | 99 | 107.5 Ų | 107.5 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 175.3 | -69.6 | 166.9 | 0 | 0 | 0 | 109.9 | L367 E368 A373 L374 M375 | L367-I371 WeakPolarHBondContact O-CG1 3.38Å; L367-I371 PolarHBondContact O-N 2.91Å; E368-I371 PolarHBondContact O-N 2.61Å; I371-A373 VanDerWaalsContact C-N 3.29Å; I371-A373 PolarHBondContact O-N 2.94Å; I371-L374 PolarHBondContact O-N 3.5Å; I371-L374 VanDerWaalsContact O-N 3.12Å; I371-M375 HydrophobicContact CG2-CG 4.26Å; I371-M375 HydrophobicContact CG2-SD 3.93Å; I371-M375 WeakPolarHBondContact O-CG 3.47Å; I371-M375 PolarHBondContact O-N 3.22Å |
| 372 | A | 94.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 108.3 Ų | 108.3 | 28% | 0.281 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E368 R376 | E368-A372 WeakPolarHBondContact O-CB 3.34Å; E368-A372 PolarHBondContact O-N 2.91Å; A372-R376 WeakPolarHBondContact O-CG 3.46Å; A372-R376 PolarHBondContact O-N 2.72Å; A372-R376 VanDerWaalsContact O-N 3.1Å |
| 373 | A | 95 | Very high | 94 | Very high | 53 Ų | 53 | 107.9 Ų | 107.9 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R369 K370 I371 R376 E377 | R369-A373 WeakPolarHBondContact O-CB 3.47Å; R369-A373 PolarHBondContact O-N 3.38Å; K370-A373 PolarHBondContact O-N 2.95Å; I371-A373 VanDerWaalsContact C-N 3.29Å; I371-A373 PolarHBondContact O-N 2.94Å; A373-R376 PolarHBondContact O-N 3.4Å; A373-E377 PolarHBondContact O-N 3.45Å; A373-E377 VanDerWaalsContact O-N 3.09Å |
| 374 | L | 95.4 | Very high | 93.8 | Very high | 110 Ų | 110 | 105.4 Ų | 105.4 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 176.2 | -71.3 | 172 | 0 | 0 | 0 | 111.8 | K370 I371 E377 D378 | K370-L374 HydrophobicContact CG-CD1 4.24Å; K370-L374 WeakPolarHBondContact O-CG 3.48Å; K370-L374 PolarHBondContact O-N 2.91Å; I371-L374 PolarHBondContact O-N 3.5Å; I371-L374 VanDerWaalsContact O-N 3.12Å; L374-E377 PolarHBondContact O-N 3.04Å; L374-D378 WeakPolarHBondContact O-CB 3.34Å; L374-D378 PolarHBondContact O-N 2.97Å |
| 375 | M | 95.6 | Very high | 93.5 | Very high | 107 Ų | 107 | 105.1 Ų | 105.1 | 53% | 0.527 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.6 | -71.6 | -180 | 71.6 | 0 | 0 | 111.9 | I371 E377 D378 E379 | I371-M375 HydrophobicContact CG2-CG 4.26Å; I371-M375 HydrophobicContact CG2-SD 3.93Å; I371-M375 WeakPolarHBondContact O-CG 3.47Å; I371-M375 PolarHBondContact O-N 3.22Å; M375-E377 VanDerWaalsContact C-N 3.3Å; M375-E377 PolarHBondContact O-N 3.46Å; M375-D378 WeakPolarHBondContact O-CB 3.49Å; M375-D378 PolarHBondContact O-N 2.95Å; M375-E379 WeakPolarHBondContact O-CG 3.44Å; M375-E379 PolarHBondContact O-N 3.25Å |
| 376 | R | 94.4 | Very high | 93.1 | Very high | 160 Ų | 160 | 107.4 Ų | 107.4 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -36.9 | 176.2 | -71.5 | -178.8 | -141.6 | 150.5 | 1.4 | 112.8 | A372 A373 K380 | A372-R376 WeakPolarHBondContact O-CG 3.46Å; A372-R376 PolarHBondContact O-N 2.72Å; A372-R376 VanDerWaalsContact O-N 3.1Å; A373-R376 PolarHBondContact O-N 3.4Å; R376-K380 VanDerWaalsContact O-CG 3.27Å; R376-K380 WeakPolarHBondContact O-CG 3.28Å; R376-K380 PolarHBondContact O-N 3.4Å |
| 377 | E | 94.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 107.8 Ų | 107.8 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 177 | -178.1 | 60.7 | -162.7 | 0 | 0 | 111.2 | A373 L374 M375 K380 R381 | A373-E377 PolarHBondContact O-N 3.45Å; A373-E377 VanDerWaalsContact O-N 3.09Å; L374-E377 PolarHBondContact O-N 3.04Å; M375-E377 VanDerWaalsContact C-N 3.3Å; M375-E377 PolarHBondContact O-N 3.46Å; E377-K380 PolarHBondContact O-N 3.48Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-N 2.89Å; E377-R381 IonicContact OE1-CZ 3.22Å; E377-R381 IonicContact OE1-NE 2.71Å; E377-R381 PolarHBondContact OE1-NE 3.45Å; E377-R381 IonicContact OE1-NH2 3.88Å; E377-R381 PolarHBondContact OE1-NH2 3.23Å; E377-R381 VanDerWaalsContact OE1-NH2 3.1Å |
| 378 | D | 93.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 60% | 0.599 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 173.6 | -171.1 | 63.7 | 0 | 0 | 0 | 111.8 | L374 M375 K380 R381 S382 | L374-D378 WeakPolarHBondContact O-CB 3.34Å; L374-D378 PolarHBondContact O-N 2.97Å; M375-D378 WeakPolarHBondContact O-CB 3.49Å; M375-D378 PolarHBondContact O-N 2.95Å; D378-K380 VanDerWaalsContact C-N 3.33Å; D378-K380 PolarHBondContact O-N 3.26Å; D378-R381 PolarHBondContact O-N 2.92Å; D378-S382 WeakPolarHBondContact O-CB 3.39Å; D378-S382 PolarHBondContact O-N 2.94Å |
| 379 | E | 93.7 | Very high | 91.9 | Very high | 110 Ų | 110 | 102.7 Ų | 102.7 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.6 | -46.5 | 174.4 | -76.6 | 171.7 | -174.7 | 0 | 0 | 111.8 | M375 R381 S382 I383 | M375-E379 WeakPolarHBondContact O-CG 3.44Å; M375-E379 PolarHBondContact O-N 3.25Å; E379-R381 PolarHBondContact O-N 2.91Å; E379-S382 PolarHBondContact O-N 2.88Å; E379-I383 VanDerWaalsContact O-CG1 3.28Å; E379-I383 WeakPolarHBondContact O-CG1 3.48Å; E379-I383 PolarHBondContact O-N 3.16Å |
| 380 | K | 93.2 | Very high | 91.4 | Very high | 130 Ų | 130 | 96.9 Ų | 96.9 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.8 | -47.3 | 176.7 | -76.5 | 174.9 | -176.8 | -176.9 | 0 | 112 | R376 E377 D378 S382 I383 V384 | R376-K380 VanDerWaalsContact O-CG 3.27Å; R376-K380 WeakPolarHBondContact O-CG 3.28Å; R376-K380 PolarHBondContact O-N 3.4Å; E377-K380 PolarHBondContact O-N 3.48Å; D378-K380 VanDerWaalsContact C-N 3.33Å; D378-K380 PolarHBondContact O-N 3.26Å; K380-S382 VanDerWaalsContact C-N 3.32Å; K380-I383 PolarHBondContact O-N 2.92Å; K380-V384 WeakPolarHBondContact O-CG2 3.34Å; K380-V384 PolarHBondContact O-N 3.32Å |
| 381 | R | 93 | Very high | 90.9 | Very high | 161 Ų | 161 | 95.2 Ų | 95.2 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 179 | -73.1 | 174.2 | -171.2 | -170.7 | 1.9 | 111.3 | E377 D378 E379 V384 L385 | E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-N 2.89Å; E377-R381 IonicContact OE1-CZ 3.22Å; E377-R381 IonicContact OE1-NE 2.71Å; E377-R381 PolarHBondContact OE1-NE 3.45Å; E377-R381 IonicContact OE1-NH2 3.88Å; E377-R381 PolarHBondContact OE1-NH2 3.23Å; E377-R381 VanDerWaalsContact OE1-NH2 3.1Å; D378-R381 PolarHBondContact O-N 2.92Å; E379-R381 PolarHBondContact O-N 2.91Å; R381-V384 PolarHBondContact O-N 3Å; R381-L385 VanDerWaalsContact O-CB 3.29Å; R381-L385 WeakPolarHBondContact O-CB 3.34Å; R381-L385 PolarHBondContact O-N 3.15Å |
| 382 | S | 89.5 | Confident | 90.4 | Very high | 47 Ų | 47 | 95.7 Ų | 95.7 | 33% | 0.329 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 111 | D378 E379 K380 V384 L385 H386 | D378-S382 WeakPolarHBondContact O-CB 3.39Å; D378-S382 PolarHBondContact O-N 2.94Å; E379-S382 PolarHBondContact O-N 2.88Å; K380-S382 VanDerWaalsContact C-N 3.32Å; S382-V384 PolarHBondContact O-N 3.03Å; S382-L385 PolarHBondContact O-N 3.2Å; S382-H386 PolarHBondContact O-N 3.44Å; S382-H386 PolarHBondContact O-ND1 3.4Å; S382-H386 PolarHBondContact OG-CE1 3.38Å; S382-H386 VanDerWaalsContact OG-CE1 3.3Å; S382-H386 PolarHBondContact OG-ND1 3.39Å |
| 383 | I | 91.3 | Very high | 89.7 | Confident | 110 Ų | 110 | 95.4 Ų | 95.4 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -50.2 | 177 | -68.3 | 163.9 | 0 | 0 | 0 | 111.1 | E379 K380 L385 H386 E387 | E379-I383 VanDerWaalsContact O-CG1 3.28Å; E379-I383 WeakPolarHBondContact O-CG1 3.48Å; E379-I383 PolarHBondContact O-N 3.16Å; K380-I383 PolarHBondContact O-N 2.92Å; I383-L385 VanDerWaalsContact C-N 3.29Å; I383-L385 PolarHBondContact O-N 2.9Å; I383-H386 PolarHBondContact O-N 3.18Å; I383-E387 WeakPolarHBondContact O-CB 3.42Å; I383-E387 PolarHBondContact O-N 3.17Å |
| 384 | V | 90.7 | Very high | 88.7 | Confident | 85 Ų | 85 | 96.9 Ų | 96.9 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 179.3 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | K380 R381 S382 T388 | K380-V384 WeakPolarHBondContact O-CG2 3.34Å; K380-V384 PolarHBondContact O-N 3.32Å; R381-V384 PolarHBondContact O-N 3Å; S382-V384 PolarHBondContact O-N 3.03Å; V384-T388 HydrophobicContact CG1-CG2 4.32Å; V384-T388 WeakPolarHBondContact O-CB 3.44Å; V384-T388 VanDerWaalsContact O-CG2 3.25Å; V384-T388 WeakPolarHBondContact O-CG2 3.43Å; V384-T388 PolarHBondContact O-N 3.4Å; V384-T388 PolarHBondContact O-OG1 3.48Å |
| 385 | L | 86.1 | Confident | 88 | Confident | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 176.9 | -176.9 | 63.9 | 0 | 0 | 0 | 111.1 | R381 S382 I383 E387 T388 I389 | R381-L385 VanDerWaalsContact O-CB 3.29Å; R381-L385 WeakPolarHBondContact O-CB 3.34Å; R381-L385 PolarHBondContact O-N 3.15Å; S382-L385 PolarHBondContact O-N 3.2Å; I383-L385 VanDerWaalsContact C-N 3.29Å; I383-L385 PolarHBondContact O-N 2.9Å; L385-E387 PolarHBondContact O-N 3.45Å; L385-T388 WeakPolarHBondContact CA-OG1 3.21Å; L385-T388 PolarHBondContact O-N 3.06Å; L385-T388 PolarHBondContact O-OG1 2.98Å; L385-I389 HydrophobicContact CD1-CD1 4.05Å; L385-I389 HydrophobicContact CD1-CG1 4.43Å; L385-I389 HydrophobicContact CG-CD1 3.88Å; L385-I389 WeakPolarHBondContact O-CD1 3.42Å; L385-I389 WeakPolarHBondContact O-CG1 3.44Å; L385-I389 PolarHBondContact O-N 3.21Å |
| 386 | H | 85.4 | Confident | 87.2 | Confident | 122 Ų | 122 | 99.7 Ų | 99.7 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 179 | -73.9 | 89.2 | 0 | 0 | 0 | 112.3 | S382 I383 I389 A390 | S382-H386 PolarHBondContact O-N 3.44Å; S382-H386 PolarHBondContact O-ND1 3.4Å; S382-H386 PolarHBondContact OG-CE1 3.38Å; S382-H386 VanDerWaalsContact OG-CE1 3.3Å; S382-H386 PolarHBondContact OG-ND1 3.39Å; I383-H386 PolarHBondContact O-N 3.18Å; H386-I389 PolarHBondContact O-N 2.89Å; H386-A390 WeakPolarHBondContact O-CB 3.37Å; H386-A390 PolarHBondContact O-N 3.34Å |
| 387 | E | 86.9 | Confident | 86.2 | Confident | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -42.9 | 178.5 | -173.3 | 177.5 | -174.6 | 0 | 0 | 112.2 | I383 L385 I389 A390 T391 | I383-E387 WeakPolarHBondContact O-CB 3.42Å; I383-E387 PolarHBondContact O-N 3.17Å; L385-E387 PolarHBondContact O-N 3.45Å; E387-I389 PolarHBondContact O-N 2.92Å; E387-A390 PolarHBondContact O-N 3.29Å; E387-T391 WeakPolarHBondContact O-CB 3.42Å; E387-T391 PolarHBondContact O-N 3.05Å; E387-T391 PolarHBondContact O-OG1 2.97Å |
| 388 | T | 87 | Confident | 85.3 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 40% | 0.399 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 177.5 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | V384 L385 T391 C392 | V384-T388 HydrophobicContact CG1-CG2 4.32Å; V384-T388 WeakPolarHBondContact O-CB 3.44Å; V384-T388 VanDerWaalsContact O-CG2 3.25Å; V384-T388 WeakPolarHBondContact O-CG2 3.43Å; V384-T388 PolarHBondContact O-N 3.4Å; V384-T388 PolarHBondContact O-OG1 3.48Å; L385-T388 WeakPolarHBondContact CA-OG1 3.21Å; L385-T388 PolarHBondContact O-N 3.06Å; L385-T388 PolarHBondContact O-OG1 2.98Å; T388-T391 PolarHBondContact O-N 3Å; T388-C392 VanDerWaalsContact O-CB 3.3Å; T388-C392 WeakPolarHBondContact O-CB 3.45Å; T388-C392 PolarHBondContact O-N 2.87Å; T388-C392 PolarHBondContact O-SG 2.98Å |
| 389 | I | 84.2 | Confident | 84.7 | Confident | 40 Ų | 40 | 100.8 Ų | 100.8 | 21% | 0.205 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 174.4 | -66.1 | 167.1 | 0 | 0 | 0 | 110.6 | L385 H386 E387 T391 A393 L400 | L385-I389 HydrophobicContact CD1-CD1 4.05Å; L385-I389 HydrophobicContact CD1-CG1 4.43Å; L385-I389 HydrophobicContact CG-CD1 3.88Å; L385-I389 WeakPolarHBondContact O-CD1 3.42Å; L385-I389 WeakPolarHBondContact O-CG1 3.44Å; L385-I389 PolarHBondContact O-N 3.21Å; H386-I389 PolarHBondContact O-N 2.89Å; E387-I389 PolarHBondContact O-N 2.92Å; I389-T391 PolarHBondContact O-N 3.14Å; I389-A393 CarbonylContact O-C 3.6Å; I389-A393 VanDerWaalsContact O-C 3.24Å; I389-A393 WeakPolarHBondContact O-CA 3.4Å; I389-A393 PolarHBondContact O-N 3.5Å; I389-L400 HydrophobicContact CB-CD2 4.36Å; I389-L400 HydrophobicContact CD1-CD2 3.41Å; I389-L400 VanDerWaalsContact CD1-CD2 3.41Å; I389-L400 HydrophobicContact CD1-CG 4.48Å; I389-L400 HydrophobicContact CG1-CD2 3.4Å; I389-L400 VanDerWaalsContact CG1-CD2 3.4Å; I389-L400 HydrophobicContact CG2-CD2 4.07Å |
| 390 | A | 83.8 | Confident | 84.1 | Confident | 65 Ų | 65 | 98.6 Ų | 98.6 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H386 E387 | H386-A390 WeakPolarHBondContact O-CB 3.37Å; H386-A390 PolarHBondContact O-N 3.34Å; E387-A390 PolarHBondContact O-N 3.29Å |
| 391 | T | 85.7 | Confident | 83.5 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 64% | 0.644 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -80.4 | -46.5 | -177.3 | -52.2 | 0 | 0 | 0 | 0 | 112.8 | E387 T388 I389 | E387-T391 WeakPolarHBondContact O-CB 3.42Å; E387-T391 PolarHBondContact O-N 3.05Å; E387-T391 PolarHBondContact O-OG1 2.97Å; T388-T391 PolarHBondContact O-N 3Å; I389-T391 PolarHBondContact O-N 3.14Å |
| 392 | C | 83.7 | Confident | 83.1 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 73% | 0.73 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -93.9 | -24.8 | -168.9 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | T388 | T388-C392 VanDerWaalsContact O-CB 3.3Å; T388-C392 WeakPolarHBondContact O-CB 3.45Å; T388-C392 PolarHBondContact O-N 2.87Å; T388-C392 PolarHBondContact O-SG 2.98Å |
| 393 | A | 79.8 | Confident | 82.9 | Confident | 29 Ų | 29 | 92.9 Ų | 92.9 | 24% | 0.24 | 52% | 0.517 | C | S | . | . | trans | -149 | 52.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I389 N395 F396 | I389-A393 CarbonylContact O-C 3.6Å; I389-A393 VanDerWaalsContact O-C 3.24Å; I389-A393 WeakPolarHBondContact O-CA 3.4Å; I389-A393 PolarHBondContact O-N 3.5Å; A393-N395 PolarHBondContact O-N 3.18Å; A393-N395 VanDerWaalsContact O-N 3.12Å; A393-F396 HydrophobicContact CB-CB 4.19Å; A393-F396 PolarHBondContact O-N 3.38Å | ||
| 394 | P | 75.2 | Confident | 82.6 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -60.1 | -30 | -173.6 | 23.4 | -34 | 0 | 0 | 0 | 113.7 | ||
| 395 | N | 80.4 | Confident | 82.5 | Confident | 154 Ų | 154 | 94.5 Ų | 94.5 | 82% | 0.824 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -89.8 | 2.2 | -178.6 | -61.1 | -19.1 | 0 | 0 | 0 | 113.9 | A393 | A393-N395 PolarHBondContact O-N 3.18Å; A393-N395 VanDerWaalsContact O-N 3.12Å |
| 396 | F | 77.8 | Confident | 82.8 | Confident | 122 Ų | 122 | 98 Ų | 98 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -114.1 | 4.9 | -176.9 | -76.9 | -87.7 | 0 | 0 | 0 | 113.8 | A393 E398 K399 L400 | A393-F396 HydrophobicContact CB-CB 4.19Å; A393-F396 PolarHBondContact O-N 3.38Å; F396-E398 PolarHBondContact O-N 3.44Å; F396-K399 HydrophobicContact CD1-CD 4.01Å; F396-K399 HydrophobicContact CE1-CD 4.32Å; F396-K399 PolarHBondContact O-N 3.31Å; F396-L400 PolarHBondContact O-N 3.01Å |
| 397 | A | 74 | Confident | 83 | Confident | 47 Ų | 47 | 95.2 Ų | 95.2 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -49.8 | -50.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K399 L400 T401 | A397-K399 PolarHBondContact O-N 3.43Å; A397-L400 PolarHBondContact O-N 3.35Å; A397-L400 VanDerWaalsContact O-N 3.1Å; A397-T401 PolarHBondContact O-N 3.18Å; A397-T401 PolarHBondContact O-OG1 3.42Å; A397-T401 VanDerWaalsContact O-OG1 3.06Å |
| 398 | E | 76.6 | Confident | 83.3 | Confident | 176 Ų | 176 | 90.6 Ų | 90.6 | 82% | 0.822 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -40.2 | 179.6 | -67.9 | -177.2 | 169.2 | 0 | 0 | 113.5 | F396 L400 T401 S402 | F396-E398 PolarHBondContact O-N 3.44Å; E398-L400 VanDerWaalsContact C-N 3.29Å; E398-L400 PolarHBondContact O-N 2.95Å; E398-T401 PolarHBondContact O-N 2.76Å; E398-S402 PolarHBondContact O-N 3.46Å; E398-S402 PolarHBondContact O-OG 3.21Å |
| 399 | K | 80.8 | Confident | 83.6 | Confident | 147 Ų | 147 | 92.1 Ų | 92.1 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.4 | -32.2 | 176.2 | -73 | -176.8 | -179.5 | 175.4 | 0 | 111.4 | F396 A397 S402 L403 | F396-K399 HydrophobicContact CD1-CD 4.01Å; F396-K399 HydrophobicContact CE1-CD 4.32Å; F396-K399 PolarHBondContact O-N 3.31Å; A397-K399 PolarHBondContact O-N 3.43Å; K399-S402 PolarHBondContact O-OG 2.89Å; K399-L403 WeakPolarHBondContact O-CB 3.17Å; K399-L403 PolarHBondContact O-N 2.93Å; K399-L403 VanDerWaalsContact O-N 3.12Å |
| 400 | L | 80.9 | Confident | 84.1 | Confident | 63 Ų | 63 | 93.8 Ų | 93.8 | 33% | 0.33 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.4 | -38.2 | 178.1 | -168.4 | 62 | 0 | 0 | 0 | 111.6 | I389 F396 A397 E398 L403 D404 | I389-L400 HydrophobicContact CB-CD2 4.36Å; I389-L400 HydrophobicContact CD1-CD2 3.41Å; I389-L400 VanDerWaalsContact CD1-CD2 3.41Å; I389-L400 HydrophobicContact CD1-CG 4.48Å; I389-L400 HydrophobicContact CG1-CD2 3.4Å; I389-L400 VanDerWaalsContact CG1-CD2 3.4Å; I389-L400 HydrophobicContact CG2-CD2 4.07Å; F396-L400 PolarHBondContact O-N 3.01Å; A397-L400 PolarHBondContact O-N 3.35Å; A397-L400 VanDerWaalsContact O-N 3.1Å; E398-L400 VanDerWaalsContact C-N 3.29Å; E398-L400 PolarHBondContact O-N 2.95Å; L400-L403 HydrophobicContact CD1-CD2 4.32Å; L400-L403 PolarHBondContact O-N 3.21Å; L400-D404 WeakPolarHBondContact O-CB 3.48Å; L400-D404 PolarHBondContact O-N 3.2Å |
| 401 | T | 80.7 | Confident | 84.5 | Confident | 80 Ų | 80 | 94.8 Ų | 94.8 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -48 | 172.9 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | A397 E398 L403 D404 E405 | A397-T401 PolarHBondContact O-N 3.18Å; A397-T401 PolarHBondContact O-OG1 3.42Å; A397-T401 VanDerWaalsContact O-OG1 3.06Å; E398-T401 PolarHBondContact O-N 2.76Å; T401-L403 VanDerWaalsContact C-N 3.29Å; T401-L403 PolarHBondContact O-N 3Å; T401-D404 PolarHBondContact O-N 2.71Å; T401-E405 WeakPolarHBondContact O-CG 3.38Å; T401-E405 PolarHBondContact O-N 2.93Å |
| 402 | S | 84.4 | Confident | 84.9 | Confident | 68 Ų | 68 | 94.7 Ų | 94.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -32.3 | 177 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | E398 K399 R406 | E398-S402 PolarHBondContact O-N 3.46Å; E398-S402 PolarHBondContact O-OG 3.21Å; K399-S402 PolarHBondContact O-OG 2.89Å; S402-R406 WeakPolarHBondContact O-CB 3.41Å; S402-R406 PolarHBondContact O-N 3.41Å; S402-R406 VanDerWaalsContact O-N 3.17Å |
| 403 | L | 85.8 | Confident | 85.5 | Confident | 71 Ų | 71 | 95.7 Ų | 95.7 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 172.7 | -177.4 | 62.2 | 0 | 0 | 0 | 111.5 | K399 L400 T401 R406 V407 | K399-L403 WeakPolarHBondContact O-CB 3.17Å; K399-L403 PolarHBondContact O-N 2.93Å; K399-L403 VanDerWaalsContact O-N 3.12Å; L400-L403 HydrophobicContact CD1-CD2 4.32Å; L400-L403 PolarHBondContact O-N 3.21Å; T401-L403 VanDerWaalsContact C-N 3.29Å; T401-L403 PolarHBondContact O-N 3Å; L403-R406 VanDerWaalsContact CD1-NH2 3.29Å; L403-R406 PolarHBondContact O-N 3Å; L403-V407 HydrophobicContact CD1-CG2 4.36Å; L403-V407 HydrophobicContact CG-CG2 4.46Å; L403-V407 VanDerWaalsContact O-CG2 3.31Å; L403-V407 WeakPolarHBondContact O-CG2 3.33Å; L403-V407 PolarHBondContact O-N 2.97Å |
| 404 | D | 84.7 | Confident | 86.2 | Confident | 104 Ų | 104 | 100.6 Ų | 100.6 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 178.5 | -165.9 | 48.7 | 0 | 0 | 0 | 111.1 | L400 T401 R406 V407 G408 | L400-D404 WeakPolarHBondContact O-CB 3.48Å; L400-D404 PolarHBondContact O-N 3.2Å; T401-D404 PolarHBondContact O-N 2.71Å; D404-R406 VanDerWaalsContact C-N 3.33Å; D404-R406 PolarHBondContact O-N 3.18Å; D404-V407 PolarHBondContact O-N 2.99Å; D404-G408 PolarHBondContact O-N 3.25Å |
| 405 | E | 88.5 | Confident | 87.1 | Confident | 124 Ų | 124 | 100.2 Ų | 100.2 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.5 | -44.1 | 172.2 | -73.8 | 179.3 | 177 | 0 | 0 | 112 | T401 G408 N409 | T401-E405 WeakPolarHBondContact O-CG 3.38Å; T401-E405 PolarHBondContact O-N 2.93Å; E405-G408 PolarHBondContact O-N 3.4Å; E405-N409 VanDerWaalsContact O-CG 3.25Å; E405-N409 PolarHBondContact O-N 3.46Å; E405-N409 PolarHBondContact O-ND2 3.47Å |
| 406 | R | 91.4 | Very high | 87.7 | Confident | 158 Ų | 158 | 99.4 Ų | 99.4 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 178 | -172.4 | 176.5 | 68.2 | 164.2 | 0.7 | 111.8 | S402 L403 D404 I410 | S402-R406 WeakPolarHBondContact O-CB 3.41Å; S402-R406 PolarHBondContact O-N 3.41Å; S402-R406 VanDerWaalsContact O-N 3.17Å; L403-R406 VanDerWaalsContact CD1-NH2 3.29Å; L403-R406 PolarHBondContact O-N 3Å; D404-R406 VanDerWaalsContact C-N 3.33Å; D404-R406 PolarHBondContact O-N 3.18Å; R406-I410 HydrophobicContact CG-CD1 4.34Å; R406-I410 WeakPolarHBondContact O-CG1 3.49Å; R406-I410 PolarHBondContact O-N 2.72Å; R406-I410 VanDerWaalsContact O-N 3.15Å |
| 407 | V | 91.4 | Very high | 88.4 | Confident | 64 Ų | 64 | 98.1 Ų | 98.1 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | L403 D404 I410 I411 | L403-V407 HydrophobicContact CD1-CG2 4.36Å; L403-V407 HydrophobicContact CG-CG2 4.46Å; L403-V407 VanDerWaalsContact O-CG2 3.31Å; L403-V407 WeakPolarHBondContact O-CG2 3.33Å; L403-V407 PolarHBondContact O-N 2.97Å; D404-V407 PolarHBondContact O-N 2.99Å; V407-I410 PolarHBondContact O-N 3.15Å; V407-I411 HydrophobicContact CG1-CD1 3.79Å; V407-I411 HydrophobicContact CG1-CG1 4.39Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.44Å; V407-I411 PolarHBondContact O-N 3.02Å |
| 408 | G | 91.8 | Very high | 89.3 | Confident | 28 Ų | 28 | 99.5 Ų | 99.5 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.7 | -50.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D404 E405 I410 I411 D412 | D404-G408 PolarHBondContact O-N 3.25Å; E405-G408 PolarHBondContact O-N 3.4Å; G408-I410 VanDerWaalsContact C-N 3.33Å; G408-I410 PolarHBondContact O-N 3.02Å; G408-I411 WeakPolarHBondContact O-CB 3.46Å; G408-I411 PolarHBondContact O-N 3.09Å; G408-I411 VanDerWaalsContact O-N 3.07Å; G408-D412 PolarHBondContact O-N 3.1Å |
| 409 | N | 93.2 | Very high | 89.8 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 176.7 | -71.1 | -28 | 0 | 0 | 0 | 112.5 | E405 I411 D412 E413 | E405-N409 VanDerWaalsContact O-CG 3.25Å; E405-N409 PolarHBondContact O-N 3.46Å; E405-N409 PolarHBondContact O-ND2 3.47Å; N409-I411 VanDerWaalsContact C-N 3.34Å; N409-I411 PolarHBondContact O-N 3.27Å; N409-D412 PolarHBondContact O-N 3.49Å; N409-E413 WeakPolarHBondContact O-CB 3.49Å; N409-E413 WeakPolarHBondContact O-CG 3.47Å; N409-E413 PolarHBondContact O-N 2.77Å |
| 410 | I | 94.8 | Very high | 90.2 | Very high | 75 Ų | 75 | 91.6 Ų | 91.6 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.9 | -67.7 | 166.6 | 0 | 0 | 0 | 111.2 | R406 V407 G408 K414 | R406-I410 HydrophobicContact CG-CD1 4.34Å; R406-I410 WeakPolarHBondContact O-CG1 3.49Å; R406-I410 PolarHBondContact O-N 2.72Å; R406-I410 VanDerWaalsContact O-N 3.15Å; V407-I410 PolarHBondContact O-N 3.15Å; G408-I410 VanDerWaalsContact C-N 3.33Å; G408-I410 PolarHBondContact O-N 3.02Å; I410-K414 HydrophobicContact CG2-CD 4.3Å; I410-K414 WeakPolarHBondContact O-CB 3.08Å; I410-K414 VanDerWaalsContact O-CG 3.31Å; I410-K414 WeakPolarHBondContact O-CG 3.43Å; I410-K414 PolarHBondContact O-N 3.36Å |
| 411 | I | 93.7 | Very high | 90.7 | Very high | 85 Ų | 85 | 93.7 Ų | 93.7 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.6 | -71.6 | 169.5 | 0 | 0 | 0 | 110 | V407 G408 N409 K414 N415 | V407-I411 HydrophobicContact CG1-CD1 3.79Å; V407-I411 HydrophobicContact CG1-CG1 4.39Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.44Å; V407-I411 PolarHBondContact O-N 3.02Å; G408-I411 WeakPolarHBondContact O-CB 3.46Å; G408-I411 PolarHBondContact O-N 3.09Å; G408-I411 VanDerWaalsContact O-N 3.07Å; N409-I411 VanDerWaalsContact C-N 3.34Å; N409-I411 PolarHBondContact O-N 3.27Å; I411-K414 PolarHBondContact O-N 3.49Å; I411-N415 WeakPolarHBondContact CG2-ND2 3.48Å; I411-N415 WeakPolarHBondContact O-CB 3.37Å; I411-N415 VanDerWaalsContact O-CG 3.27Å; I411-N415 PolarHBondContact O-N 3.18Å; I411-N415 PolarHBondContact O-ND2 2.94Å |
| 412 | D | 93.7 | Very high | 91 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 178.6 | -74.2 | -18.8 | 0 | 0 | 0 | 112.2 | G408 N409 K414 N415 K416 | G408-D412 PolarHBondContact O-N 3.1Å; N409-D412 PolarHBondContact O-N 3.49Å; D412-K414 VanDerWaalsContact C-N 3.33Å; D412-K414 PolarHBondContact O-N 2.92Å; D412-N415 PolarHBondContact O-N 2.87Å; D412-K416 WeakPolarHBondContact O-CB 3.5Å; D412-K416 PolarHBondContact O-N 2.92Å |
| 413 | E | 94.8 | Very high | 91 | Very high | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.9 | -45.8 | 172.7 | -76.4 | 177.5 | -177.2 | 0 | 0 | 111.4 | N409 K416 I417 | N409-E413 WeakPolarHBondContact O-CB 3.49Å; N409-E413 WeakPolarHBondContact O-CG 3.47Å; N409-E413 PolarHBondContact O-N 2.77Å; E413-K416 PolarHBondContact O-N 2.86Å; E413-I417 VanDerWaalsContact O-CG1 3.31Å; E413-I417 WeakPolarHBondContact O-CG1 3.33Å; E413-I417 PolarHBondContact O-N 2.88Å |
| 414 | K | 95.4 | Very high | 91 | Very high | 132 Ų | 132 | 97.1 Ų | 97.1 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 176.6 | -76.2 | -178.9 | 178 | -176 | 0 | 112.4 | I410 I411 D412 K416 I417 I418 | I410-K414 HydrophobicContact CG2-CD 4.3Å; I410-K414 WeakPolarHBondContact O-CB 3.08Å; I410-K414 VanDerWaalsContact O-CG 3.31Å; I410-K414 WeakPolarHBondContact O-CG 3.43Å; I410-K414 PolarHBondContact O-N 3.36Å; I411-K414 PolarHBondContact O-N 3.49Å; D412-K414 VanDerWaalsContact C-N 3.33Å; D412-K414 PolarHBondContact O-N 2.92Å; K414-K416 VanDerWaalsContact C-N 3.3Å; K414-K416 PolarHBondContact O-N 2.92Å; K414-I417 PolarHBondContact O-N 3.17Å; K414-I418 VanDerWaalsContact O-CG1 3.28Å; K414-I418 WeakPolarHBondContact O-CG1 3.42Å; K414-I418 PolarHBondContact O-N 3.3Å |
| 415 | N | 93.1 | Very high | 91.1 | Very high | 77 Ų | 77 | 95.7 Ų | 95.7 | 41% | 0.412 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.3 | -77.7 | -26.3 | 0 | 0 | 0 | 111.2 | I411 D412 I418 L419 | I411-N415 WeakPolarHBondContact CG2-ND2 3.48Å; I411-N415 WeakPolarHBondContact O-CB 3.37Å; I411-N415 VanDerWaalsContact O-CG 3.27Å; I411-N415 PolarHBondContact O-N 3.18Å; I411-N415 PolarHBondContact O-ND2 2.94Å; D412-N415 PolarHBondContact O-N 2.87Å; N415-I418 WeakPolarHBondContact O-CB 3.47Å; N415-I418 PolarHBondContact O-N 2.95Å; N415-L419 WeakPolarHBondContact O-CG 3.15Å; N415-L419 PolarHBondContact O-N 3.4Å |
| 416 | K | 93.4 | Very high | 90.8 | Very high | 136 Ų | 136 | 90.7 Ų | 90.7 | 59% | 0.591 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 173.7 | -172.4 | 178.5 | 178.1 | -178.1 | 0 | 111.6 | D412 E413 K414 I418 L419 D420 | D412-K416 WeakPolarHBondContact O-CB 3.5Å; D412-K416 PolarHBondContact O-N 2.92Å; E413-K416 PolarHBondContact O-N 2.86Å; K414-K416 VanDerWaalsContact C-N 3.3Å; K414-K416 PolarHBondContact O-N 2.92Å; K416-I418 VanDerWaalsContact C-N 3.26Å; K416-I418 PolarHBondContact O-N 3.36Å; K416-L419 WeakPolarHBondContact O-CB 3.43Å; K416-L419 PolarHBondContact O-N 3.24Å; K416-L419 VanDerWaalsContact O-N 3.09Å; K416-D420 VanDerWaalsContact O-CG 3.29Å; K416-D420 PolarHBondContact O-N 2.92Å |
| 417 | I | 94.1 | Very high | 90.4 | Very high | 95 Ų | 95 | 87.7 Ų | 87.7 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 175.2 | -67.4 | 164.5 | 0 | 0 | 0 | 111 | E413 K414 D420 L421 | E413-I417 VanDerWaalsContact O-CG1 3.31Å; E413-I417 WeakPolarHBondContact O-CG1 3.33Å; E413-I417 PolarHBondContact O-N 2.88Å; K414-I417 PolarHBondContact O-N 3.17Å; I417-D420 PolarHBondContact O-N 3.44Å; I417-L421 HydrophobicContact CG2-CD1 3.79Å; I417-L421 HydrophobicContact CG2-CG 4.22Å; I417-L421 WeakPolarHBondContact O-CB 3.34Å; I417-L421 VanDerWaalsContact O-CG 3.24Å; I417-L421 WeakPolarHBondContact O-CG 3.39Å; I417-L421 PolarHBondContact O-N 3.29Å |
| 418 | I | 90.9 | Very high | 90.2 | Very high | 76 Ų | 76 | 87.6 Ų | 87.6 | 39% | 0.39 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 176.7 | -70.7 | 165.3 | 0 | 0 | 0 | 111.1 | K414 N415 K416 R422 | K414-I418 VanDerWaalsContact O-CG1 3.28Å; K414-I418 WeakPolarHBondContact O-CG1 3.42Å; K414-I418 PolarHBondContact O-N 3.3Å; N415-I418 WeakPolarHBondContact O-CB 3.47Å; N415-I418 PolarHBondContact O-N 2.95Å; K416-I418 VanDerWaalsContact C-N 3.26Å; K416-I418 PolarHBondContact O-N 3.36Å; I418-R422 HydrophobicContact CG2-CG 4.5Å; I418-R422 WeakPolarHBondContact O-CB 3.43Å; I418-R422 VanDerWaalsContact O-CG 3.23Å; I418-R422 WeakPolarHBondContact O-CG 3.39Å; I418-R422 PolarHBondContact O-N 3.45Å |
| 419 | L | 89.2 | Confident | 89.8 | Confident | 87 Ų | 87 | 90 Ų | 90 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 176.4 | -72.2 | 170.3 | 0 | 0 | 0 | 111.2 | N415 K416 L421 R422 Y423 | N415-L419 WeakPolarHBondContact O-CG 3.15Å; N415-L419 PolarHBondContact O-N 3.4Å; K416-L419 WeakPolarHBondContact O-CB 3.43Å; K416-L419 PolarHBondContact O-N 3.24Å; K416-L419 VanDerWaalsContact O-N 3.09Å; L419-L421 PolarHBondContact O-N 3.33Å; L419-R422 PolarHBondContact O-N 3.44Å; L419-Y423 WeakPolarHBondContact O-CB 3.24Å; L419-Y423 PolarHBondContact O-N 3.37Å |
| 420 | D | 88.7 | Confident | 89.2 | Confident | 70 Ų | 70 | 86.4 Ų | 86.4 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 179 | -66.4 | -15.6 | 0 | 0 | 0 | 111 | K416 I417 R422 Y423 E424 | K416-D420 VanDerWaalsContact O-CG 3.29Å; K416-D420 PolarHBondContact O-N 2.92Å; I417-D420 PolarHBondContact O-N 3.44Å; D420-R422 PolarHBondContact O-N 2.92Å; D420-Y423 PolarHBondContact O-N 3.23Å; D420-E424 PolarHBondContact O-N 2.94Å |
| 421 | L | 91.4 | Very high | 88.7 | Confident | 107 Ų | 107 | 85.7 Ų | 85.7 | 56% | 0.56 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 176.8 | -73.5 | 174.1 | 0 | 0 | 0 | 112.3 | I417 L419 Y423 E424 V425 | I417-L421 HydrophobicContact CG2-CD1 3.79Å; I417-L421 HydrophobicContact CG2-CG 4.22Å; I417-L421 WeakPolarHBondContact O-CB 3.34Å; I417-L421 VanDerWaalsContact O-CG 3.24Å; I417-L421 WeakPolarHBondContact O-CG 3.39Å; I417-L421 PolarHBondContact O-N 3.29Å; L419-L421 PolarHBondContact O-N 3.33Å; L421-Y423 VanDerWaalsContact C-N 3.34Å; L421-E424 PolarHBondContact O-N 3.38Å; L421-V425 WeakPolarHBondContact O-CB 3.22Å; L421-V425 VanDerWaalsContact O-CG2 3.24Å; L421-V425 WeakPolarHBondContact O-CG2 3.26Å; L421-V425 PolarHBondContact O-N 3.46Å |
| 422 | R | 86 | Confident | 88.4 | Confident | 144 Ų | 144 | 85.8 Ų | 85.8 | 54% | 0.543 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 175.6 | -77.7 | 175.4 | 179 | -165.5 | 2.2 | 111.6 | I418 L419 D420 T426 | I418-R422 HydrophobicContact CG2-CG 4.5Å; I418-R422 WeakPolarHBondContact O-CB 3.43Å; I418-R422 VanDerWaalsContact O-CG 3.23Å; I418-R422 WeakPolarHBondContact O-CG 3.39Å; I418-R422 PolarHBondContact O-N 3.45Å; L419-R422 PolarHBondContact O-N 3.44Å; D420-R422 PolarHBondContact O-N 2.92Å; R422-T426 WeakPolarHBondContact O-CB 3.36Å; R422-T426 PolarHBondContact O-N 2.89Å; R422-T426 PolarHBondContact O-OG1 2.97Å |
| 423 | Y | 84.8 | Confident | 87.9 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 21% | 0.208 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 174.8 | 176.1 | -100.8 | 0 | 0 | 0 | 111 | L419 D420 L421 V425 T426 K427 I475 E477 | L419-Y423 WeakPolarHBondContact O-CB 3.24Å; L419-Y423 PolarHBondContact O-N 3.37Å; D420-Y423 PolarHBondContact O-N 3.23Å; L421-Y423 VanDerWaalsContact C-N 3.34Å; Y423-V425 PolarHBondContact O-N 3.34Å; Y423-T426 WeakPolarHBondContact O-CB 3.42Å; Y423-T426 PolarHBondContact O-N 2.86Å; Y423-T426 VanDerWaalsContact O-N 3.09Å; Y423-K427 HydrophobicContact CE1-CD 4.17Å; Y423-K427 WeakPolarHBondContact O-CB 3.45Å; Y423-K427 PolarHBondContact O-N 3.37Å; Y423-I475 HydrophobicContact CD2-CG2 4.08Å; Y423-I475 HydrophobicContact CE2-CB 4.36Å; Y423-I475 HydrophobicContact CE2-CG2 3.74Å; Y423-I475 PolarHBondContact OH-O 2.92Å; Y423-E477 HydrophobicContact CD2-CG 3.86Å; Y423-E477 HydrophobicContact CE2-CG 4.07Å; Y423-E477 HydrophobicContact CG-CG 4.45Å |
| 424 | E | 86.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 79.8 Ų | 79.8 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 178.2 | -75.5 | -61 | 144 | 0 | 0 | 112.6 | D420 L421 T426 K427 A428 | D420-E424 PolarHBondContact O-N 2.94Å; L421-E424 PolarHBondContact O-N 3.38Å; E424-T426 VanDerWaalsContact C-N 3.35Å; E424-T426 PolarHBondContact O-N 3.37Å; E424-K427 PolarHBondContact O-N 2.9Å; E424-K427 IonicContact OE1-NZ 3.66Å; E424-K427 PolarHBondContact OE1-NZ 3.29Å; E424-K427 IonicContact OE2-NZ 2.65Å; E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 2.9Å |
| 425 | V | 85.6 | Confident | 87 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 172.3 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | L421 Y423 K427 A428 R429 | L421-V425 WeakPolarHBondContact O-CB 3.22Å; L421-V425 VanDerWaalsContact O-CG2 3.24Å; L421-V425 WeakPolarHBondContact O-CG2 3.26Å; L421-V425 PolarHBondContact O-N 3.46Å; Y423-V425 PolarHBondContact O-N 3.34Å; V425-K427 VanDerWaalsContact C-N 3.33Å; V425-A428 PolarHBondContact O-N 2.9Å; V425-R429 WeakPolarHBondContact O-CB 3.45Å; V425-R429 WeakPolarHBondContact O-CG 3.38Å; V425-R429 PolarHBondContact O-N 2.91Å |
| 426 | T | 83.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 178.4 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | R422 Y423 E424 R429 K430 Y467 I475 | R422-T426 WeakPolarHBondContact O-CB 3.36Å; R422-T426 PolarHBondContact O-N 2.89Å; R422-T426 PolarHBondContact O-OG1 2.97Å; Y423-T426 WeakPolarHBondContact O-CB 3.42Å; Y423-T426 PolarHBondContact O-N 2.86Å; Y423-T426 VanDerWaalsContact O-N 3.09Å; E424-T426 VanDerWaalsContact C-N 3.35Å; E424-T426 PolarHBondContact O-N 3.37Å; T426-R429 PolarHBondContact O-N 2.94Å; T426-K430 PolarHBondContact O-N 3.34Å; T426-Y467 HydrophobicContact CG2-CD2 4.49Å; T426-I475 VanDerWaalsContact C-CD1 3.49Å; T426-I475 HydrophobicContact CG2-CD1 3.88Å; T426-I475 HydrophobicContact CG2-CG1 4.42Å; T426-I475 HydrophobicContact CG2-CG2 4.09Å; T426-I475 VanDerWaalsContact O-CD1 3.25Å; T426-I475 WeakPolarHBondContact O-CD1 3.45Å |
| 427 | K | 83.4 | Confident | 86.2 | Confident | 96 Ų | 96 | 73.9 Ų | 73.9 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 175.4 | -172.4 | -179.6 | 168.7 | -163.5 | 0 | 112.7 | Y423 E424 V425 K430 A431 I475 | Y423-K427 HydrophobicContact CE1-CD 4.17Å; Y423-K427 WeakPolarHBondContact O-CB 3.45Å; Y423-K427 PolarHBondContact O-N 3.37Å; E424-K427 PolarHBondContact O-N 2.9Å; E424-K427 IonicContact OE1-NZ 3.66Å; E424-K427 PolarHBondContact OE1-NZ 3.29Å; E424-K427 IonicContact OE2-NZ 2.65Å; V425-K427 VanDerWaalsContact C-N 3.33Å; K427-K430 PolarHBondContact O-N 3.45Å; K427-A431 PolarHBondContact O-N 3.32Å; K427-I475 VanDerWaalsContact CA-CD1 3.4Å; K427-I475 HydrophobicContact CB-CD1 4.27Å |
| 428 | A | 85.8 | Confident | 85.9 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E424 V425 K430 A431 H432 | E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 2.9Å; V425-A428 PolarHBondContact O-N 2.9Å; A428-K430 VanDerWaalsContact C-N 3.32Å; A428-K430 PolarHBondContact O-N 2.88Å; A428-A431 PolarHBondContact O-N 3.03Å; A428-H432 WeakPolarHBondContact O-CB 3.31Å; A428-H432 PolarHBondContact O-N 3.34Å |
| 429 | R | 84.2 | Confident | 85.7 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.9 | -78.5 | 179.4 | -176.9 | -179.4 | 2.7 | 112.3 | V425 T426 H432 D433 | V425-R429 WeakPolarHBondContact O-CB 3.45Å; V425-R429 WeakPolarHBondContact O-CG 3.38Å; V425-R429 PolarHBondContact O-N 2.91Å; T426-R429 PolarHBondContact O-N 2.94Å; R429-H432 WeakPolarHBondContact O-CB 3.4Å; R429-H432 PolarHBondContact O-N 3.08Å; R429-D433 PolarHBondContact O-N 3.38Å |
| 430 | K | 81.1 | Confident | 85.5 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 10% | 0.1 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 176.8 | -178 | 173.9 | -159.3 | 165.4 | 0 | 112.9 | T426 K427 A428 H432 D433 D434 C469 G473 I474 I475 | T426-K430 PolarHBondContact O-N 3.34Å; K427-K430 PolarHBondContact O-N 3.45Å; A428-K430 VanDerWaalsContact C-N 3.32Å; A428-K430 PolarHBondContact O-N 2.88Å; K430-H432 PolarHBondContact O-N 2.89Å; K430-D433 PolarHBondContact O-N 2.93Å; K430-D434 WeakPolarHBondContact O-CB 3.43Å; K430-D434 VanDerWaalsContact O-CG 3.31Å; K430-D434 PolarHBondContact O-N 3.3Å; K430-C469 PolarHBondContact NZ-SG 3.4Å; K430-G473 WeakPolarHBondContact CD-O 3.4Å; K430-G473 WeakPolarHBondContact CE-O 3.3Å; K430-G473 PolarHBondContact NZ-O 3.01Å; K430-I474 PolarHBondContact NZ-O 3.29Å; K430-I475 HydrophobicContact CB-CD1 3.46Å; K430-I475 VanDerWaalsContact CB-CD1 3.46Å; K430-I475 HydrophobicContact CB-CG1 4.37Å; K430-I475 HydrophobicContact CD-CD1 3.39Å; K430-I475 HydrophobicContact CD-CG1 3.42Å; K430-I475 VanDerWaalsContact CD-CG1 3.42Å; K430-I475 HydrophobicContact CG-CD1 4.12Å |
| 431 | A | 84.3 | Confident | 85.3 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 49% | 0.488 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K427 A428 L435 | K427-A431 PolarHBondContact O-N 3.32Å; A428-A431 PolarHBondContact O-N 3.03Å; A431-L435 WeakPolarHBondContact O-CB 3.48Å; A431-L435 PolarHBondContact O-N 3.22Å |
| 432 | H | 86.2 | Confident | 85.2 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 171.8 | 169.6 | -86.1 | 0 | 0 | 0 | 112.7 | A428 R429 K430 L435 L436 | A428-H432 WeakPolarHBondContact O-CB 3.31Å; A428-H432 PolarHBondContact O-N 3.34Å; R429-H432 WeakPolarHBondContact O-CB 3.4Å; R429-H432 PolarHBondContact O-N 3.08Å; K430-H432 PolarHBondContact O-N 2.89Å; H432-L435 PolarHBondContact O-N 3.07Å; H432-L436 WeakPolarHBondContact CE1-CD1 3.15Å; H432-L436 WeakPolarHBondContact O-CG 3.03Å; H432-L436 PolarHBondContact O-N 3.1Å |
| 433 | D | 83.9 | Confident | 85.2 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 179.3 | -77.6 | 1.5 | 0 | 0 | 0 | 112.4 | R429 K430 L435 L436 E437 | R429-D433 PolarHBondContact O-N 3.38Å; K430-D433 PolarHBondContact O-N 2.93Å; D433-L435 VanDerWaalsContact C-N 3.32Å; D433-L435 PolarHBondContact O-N 2.84Å; D433-L436 WeakPolarHBondContact O-CB 3.47Å; D433-L436 PolarHBondContact O-N 2.91Å; D433-E437 PolarHBondContact O-N 2.93Å |
| 434 | D | 84.1 | Confident | 85.2 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.6 | -66.8 | -14.8 | 0 | 0 | 0 | 111 | K430 E437 T438 | K430-D434 WeakPolarHBondContact O-CB 3.43Å; K430-D434 VanDerWaalsContact O-CG 3.31Å; K430-D434 PolarHBondContact O-N 3.3Å; D434-E437 PolarHBondContact O-N 3.5Å; D434-T438 WeakPolarHBondContact O-CB 3.45Å; D434-T438 PolarHBondContact O-N 3.48Å; D434-T438 PolarHBondContact O-OG1 2.83Å |
| 435 | L | 86.2 | Confident | 85.3 | Confident | 84 Ų | 84 | 75.5 Ų | 75.5 | 44% | 0.44 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 176.3 | 176.2 | 136 | 0 | 0 | 0 | 111.8 | A431 H432 D433 T438 Y439 | A431-L435 WeakPolarHBondContact O-CB 3.48Å; A431-L435 PolarHBondContact O-N 3.22Å; H432-L435 PolarHBondContact O-N 3.07Å; D433-L435 VanDerWaalsContact C-N 3.32Å; D433-L435 PolarHBondContact O-N 2.84Å; L435-T438 PolarHBondContact O-N 3.27Å; L435-Y439 HydrophobicContact CD1-CE2 4.2Å; L435-Y439 HydrophobicContact CD2-CD2 3.69Å; L435-Y439 HydrophobicContact CD2-CE2 3.41Å; L435-Y439 VanDerWaalsContact CD2-CE2 3.41Å; L435-Y439 HydrophobicContact CG-CD2 3.94Å; L435-Y439 HydrophobicContact CG-CE2 3.63Å; L435-Y439 VanDerWaalsContact O-CD2 3.28Å; L435-Y439 WeakPolarHBondContact O-CD2 3.34Å; L435-Y439 PolarHBondContact O-N 3.13Å |
| 436 | L | 85.4 | Confident | 85.5 | Confident | 28 Ų | 28 | 80.6 Ų | 80.6 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 171.6 | -76.4 | 177.3 | 0 | 0 | 0 | 111.6 | H432 D433 T438 Y439 E440 P457 R459 | H432-L436 WeakPolarHBondContact CE1-CD1 3.15Å; H432-L436 WeakPolarHBondContact O-CG 3.03Å; H432-L436 PolarHBondContact O-N 3.1Å; D433-L436 WeakPolarHBondContact O-CB 3.47Å; D433-L436 PolarHBondContact O-N 2.91Å; L436-T438 VanDerWaalsContact C-N 3.31Å; L436-T438 PolarHBondContact O-N 3.42Å; L436-Y439 PolarHBondContact O-N 3.25Å; L436-E440 WeakPolarHBondContact O-CB 3.48Å; L436-E440 WeakPolarHBondContact O-CG 3.42Å; L436-E440 PolarHBondContact O-N 2.92Å; L436-P457 HydrophobicContact CD1-CB 3.74Å; L436-P457 HydrophobicContact CD1-CG 4.29Å; L436-P457 HydrophobicContact CD2-CB 3.7Å; L436-P457 HydrophobicContact CD2-CG 4.14Å; L436-P457 HydrophobicContact CG-CB 4.39Å; L436-R459 HydrophobicContact CD1-CG 4.36Å |
| 437 | E | 85.3 | Confident | 85.6 | Confident | 108 Ų | 108 | 82.6 Ų | 82.6 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 177.9 | -173.9 | 164 | -161.1 | 0 | 0 | 111.6 | D433 D434 E440 C441 | D433-E437 PolarHBondContact O-N 2.93Å; D434-E437 PolarHBondContact O-N 3.5Å; E437-E440 PolarHBondContact O-N 2.92Å; E437-C441 WeakPolarHBondContact O-CB 3.32Å; E437-C441 PolarHBondContact O-N 3.29Å; E437-C441 PolarHBondContact O-SG 3.43Å |
| 438 | T | 87 | Confident | 85.5 | Confident | 83 Ų | 83 | 80.6 Ų | 80.6 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.5 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | D434 L435 L436 C441 K442 | D434-T438 WeakPolarHBondContact O-CB 3.45Å; D434-T438 PolarHBondContact O-N 3.48Å; D434-T438 PolarHBondContact O-OG1 2.83Å; L435-T438 PolarHBondContact O-N 3.27Å; L436-T438 VanDerWaalsContact C-N 3.31Å; L436-T438 PolarHBondContact O-N 3.42Å; T438-C441 PolarHBondContact O-N 3.02Å; T438-K442 WeakPolarHBondContact O-CG 3.26Å; T438-K442 PolarHBondContact O-N 2.93Å |
| 439 | Y | 86.1 | Confident | 85.2 | Confident | 144 Ų | 144 | 80.5 Ų | 80.5 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 176.6 | -78.6 | -48 | 0 | 0 | 0 | 112.5 | L435 L436 C441 K442 L443 | L435-Y439 HydrophobicContact CD1-CE2 4.2Å; L435-Y439 HydrophobicContact CD2-CD2 3.69Å; L435-Y439 HydrophobicContact CD2-CE2 3.41Å; L435-Y439 VanDerWaalsContact CD2-CE2 3.41Å; L435-Y439 HydrophobicContact CG-CD2 3.94Å; L435-Y439 HydrophobicContact CG-CE2 3.63Å; L435-Y439 VanDerWaalsContact O-CD2 3.28Å; L435-Y439 WeakPolarHBondContact O-CD2 3.34Å; L435-Y439 PolarHBondContact O-N 3.13Å; L436-Y439 PolarHBondContact O-N 3.25Å; Y439-C441 VanDerWaalsContact C-N 3.3Å; Y439-C441 PolarHBondContact O-N 2.97Å; Y439-K442 PolarHBondContact O-N 3Å; Y439-K442 VanDerWaalsContact O-N 3.16Å; Y439-L443 WeakPolarHBondContact O-CB 3.49Å; Y439-L443 WeakPolarHBondContact O-CG 3.27Å; Y439-L443 PolarHBondContact O-N 3.49Å |
| 440 | E | 85.2 | Confident | 84.5 | Confident | 47 Ų | 47 | 79.1 Ų | 79.1 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 174.3 | -76.4 | 172.8 | -171.6 | 0 | 0 | 111.3 | L436 E437 K444 T450 R459 | L436-E440 WeakPolarHBondContact O-CB 3.48Å; L436-E440 WeakPolarHBondContact O-CG 3.42Å; L436-E440 PolarHBondContact O-N 2.92Å; E437-E440 PolarHBondContact O-N 2.92Å; E440-K444 WeakPolarHBondContact O-CB 3.36Å; E440-K444 WeakPolarHBondContact O-CG 3.35Å; E440-K444 PolarHBondContact O-N 3.46Å; E440-T450 HydrophobicContact CB-CG2 4.5Å; E440-T450 HydrophobicContact CG-CG2 4.25Å; E440-R459 IonicContact OE1-CZ 3.25Å; E440-R459 IonicContact OE1-NH2 3.47Å; E440-R459 PolarHBondContact OE1-NH2 3.26Å; E440-R459 IonicContact OE2-NH2 3.95Å; E440-R459 PolarHBondContact OE2-NH2 3.26Å |
| 441 | C | 86 | Confident | 84.2 | Confident | 75 Ų | 75 | 85.1 Ų | 85.1 | 51% | 0.507 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 174.8 | -69.9 | 0 | 0 | 0 | 0 | 112 | E437 T438 Y439 Q445 | E437-C441 WeakPolarHBondContact O-CB 3.32Å; E437-C441 PolarHBondContact O-N 3.29Å; E437-C441 PolarHBondContact O-SG 3.43Å; T438-C441 PolarHBondContact O-N 3.02Å; Y439-C441 VanDerWaalsContact C-N 3.3Å; Y439-C441 PolarHBondContact O-N 2.97Å; C441-Q445 WeakPolarHBondContact O-CB 3.42Å; C441-Q445 PolarHBondContact O-N 3.36Å |
| 442 | K | 88.1 | Confident | 83.5 | Confident | 97 Ų | 97 | 89.1 Ų | 89.1 | 42% | 0.422 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 177.5 | -76.4 | -69.2 | 175.1 | -167.8 | 0 | 112.9 | T438 Y439 Q445 Y446 | T438-K442 WeakPolarHBondContact O-CG 3.26Å; T438-K442 PolarHBondContact O-N 2.93Å; Y439-K442 PolarHBondContact O-N 3Å; Y439-K442 VanDerWaalsContact O-N 3.16Å; K442-Q445 WeakPolarHBondContact O-CB 3.29Å; K442-Q445 PolarHBondContact O-N 3.02Å; K442-Q445 VanDerWaalsContact O-N 3.15Å; K442-Y446 HydrophobicContact CD-CE2 4.49Å; K442-Y446 WeakPolarHBondContact O-CD2 3.48Å; K442-Y446 PolarHBondContact O-N 2.94Å |
| 443 | L | 85.8 | Confident | 82.9 | Confident | 49 Ų | 49 | 87.9 Ų | 87.9 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.5 | -72.9 | 170.5 | 0 | 0 | 0 | 111 | Y439 Q445 Y446 G447 V448 L453 | Y439-L443 WeakPolarHBondContact O-CB 3.49Å; Y439-L443 WeakPolarHBondContact O-CG 3.27Å; Y439-L443 PolarHBondContact O-N 3.49Å; L443-Q445 VanDerWaalsContact C-N 3.3Å; L443-Q445 PolarHBondContact O-N 3.44Å; L443-Y446 CarbonylContact O-C 3.24Å; L443-Y446 PolarHBondContact O-N 3Å; L443-Y446 VanDerWaalsContact O-N 3.15Å; L443-G447 PolarHBondContact O-N 3.4Å; L443-G447 VanDerWaalsContact O-N 3.1Å; L443-V448 CarbonylContact C-O 3.6Å; L443-V448 HydrophobicContact CB-CB 4.29Å; L443-V448 HydrophobicContact CD2-CB 4.05Å; L443-V448 HydrophobicContact CD2-CG1 4.15Å; L443-V448 HydrophobicContact CD2-CG2 4.43Å; L443-V448 PolarHBondContact O-N 3.4Å; L443-L453 HydrophobicContact CD1-CD1 3.79Å; L443-L453 HydrophobicContact CD1-CD2 3.96Å; L443-L453 HydrophobicContact CD1-CG 4.25Å |
| 444 | K | 85.7 | Confident | 82.5 | Confident | 134 Ų | 134 | 90.1 Ų | 90.1 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.8 | -41.1 | 172.4 | -73.2 | 176.4 | -177.5 | 175.7 | 0 | 112.1 | E440 Y446 G447 | E440-K444 WeakPolarHBondContact O-CB 3.36Å; E440-K444 WeakPolarHBondContact O-CG 3.35Å; E440-K444 PolarHBondContact O-N 3.46Å; K444-Y446 VanDerWaalsContact C-N 3.3Å; K444-Y446 PolarHBondContact O-N 3.26Å; K444-G447 PolarHBondContact O-N 3.03Å; K444-G447 VanDerWaalsContact O-N 3.12Å |
| 445 | Q | 89.6 | Confident | 82.3 | Confident | 131 Ų | 131 | 93.3 Ų | 93.3 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 177 | -173.4 | 178.7 | 13.7 | 0 | 0 | 112.6 | C441 K442 L443 G447 | C441-Q445 WeakPolarHBondContact O-CB 3.42Å; C441-Q445 PolarHBondContact O-N 3.36Å; K442-Q445 WeakPolarHBondContact O-CB 3.29Å; K442-Q445 PolarHBondContact O-N 3.02Å; K442-Q445 VanDerWaalsContact O-N 3.15Å; L443-Q445 VanDerWaalsContact C-N 3.3Å; L443-Q445 PolarHBondContact O-N 3.44Å; Q445-G447 VanDerWaalsContact C-N 3.31Å |
| 446 | Y | 88.7 | Confident | 81.9 | Confident | 182 Ų | 182 | 98.7 Ų | 98.7 | 71% | 0.714 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7.8 | 176.5 | -71.4 | -70.7 | 0 | 0 | 0 | 113.9 | K442 L443 K444 V448 | K442-Y446 HydrophobicContact CD-CE2 4.49Å; K442-Y446 WeakPolarHBondContact O-CD2 3.48Å; K442-Y446 PolarHBondContact O-N 2.94Å; L443-Y446 CarbonylContact O-C 3.24Å; L443-Y446 PolarHBondContact O-N 3Å; L443-Y446 VanDerWaalsContact O-N 3.15Å; K444-Y446 VanDerWaalsContact C-N 3.3Å; K444-Y446 PolarHBondContact O-N 3.26Å; Y446-V448 VanDerWaalsContact C-N 3.34Å; Y446-V448 PolarHBondContact O-N 3Å |
| 447 | G | 84.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 63% | 0.629 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 16.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | L443 K444 Q445 P449 | L443-G447 PolarHBondContact O-N 3.4Å; L443-G447 VanDerWaalsContact O-N 3.1Å; K444-G447 PolarHBondContact O-N 3.03Å; K444-G447 VanDerWaalsContact O-N 3.12Å; Q445-G447 VanDerWaalsContact C-N 3.31Å; G447-P449 WeakPolarHBondContact O-CD 3.39Å |
| 448 | V | 83 | Confident | 81.3 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 32% | 0.321 | 53% | 0.528 | S | S | . | . | trans | -89.6 | 112.3 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L443 Y446 | L443-V448 CarbonylContact C-O 3.6Å; L443-V448 HydrophobicContact CB-CB 4.29Å; L443-V448 HydrophobicContact CD2-CB 4.05Å; L443-V448 HydrophobicContact CD2-CG1 4.15Å; L443-V448 HydrophobicContact CD2-CG2 4.43Å; L443-V448 PolarHBondContact O-N 3.4Å; Y446-V448 VanDerWaalsContact C-N 3.34Å; Y446-V448 PolarHBondContact O-N 3Å | ||
| 449 | P | 78.7 | Confident | 80.6 | Confident | 59 Ų | 59 | 100.6 Ų | 100.6 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | trans | -63.9 | 139.7 | 176.6 | -17.5 | 31.2 | 0 | 0 | 0 | 110.8 | G447 D451 E452 | G447-P449 WeakPolarHBondContact O-CD 3.39Å; P449-D451 PolarHBondContact O-N 2.96Å; P449-E452 HydrophobicContact CB-CG 4.41Å; P449-E452 HydrophobicContact CG-CG 4.35Å; P449-E452 PolarHBondContact O-N 3.32Å | ||
| 450 | T | 70 | Confident | 79.5 | Confident | 51 Ų | 51 | 98.3 Ų | 98.3 | 31% | 0.313 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -60.4 | -18.1 | 178.8 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | E440 E452 | E440-T450 HydrophobicContact CB-CG2 4.5Å; E440-T450 HydrophobicContact CG-CG2 4.25Å; T450-E452 VanDerWaalsContact C-N 3.34Å |
| 451 | D | 73.5 | Confident | 78.3 | Confident | 148 Ų | 148 | 104 Ų | 104 | 79% | 0.791 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -77.2 | -18.8 | 179.3 | -57.4 | -28.9 | 0 | 0 | 0 | 112.9 | P449 L453 | P449-D451 PolarHBondContact O-N 2.96Å; D451-L453 VanDerWaalsContact C-N 3.31Å; D451-L453 PolarHBondContact O-N 2.88Å |
| 452 | E | 71.6 | Confident | 76.8 | Confident | 143 Ų | 143 | 108 Ų | 108 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -81 | -8.5 | 179.3 | -66.7 | -172.9 | 174.6 | 0 | 0 | 113.6 | P449 T450 G454 | P449-E452 HydrophobicContact CB-CG 4.41Å; P449-E452 HydrophobicContact CG-CG 4.35Å; P449-E452 PolarHBondContact O-N 3.32Å; T450-E452 VanDerWaalsContact C-N 3.34Å; E452-G454 PolarHBondContact O-N 2.92Å |
| 453 | L | 71.9 | Confident | 75.2 | Confident | 62 Ų | 62 | 109 Ų | 109 | 33% | 0.325 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -68.1 | -19.5 | -179.2 | -75.7 | 162.1 | 0 | 0 | 0 | 113.3 | L443 D451 F455 | L443-L453 HydrophobicContact CD1-CD1 3.79Å; L443-L453 HydrophobicContact CD1-CD2 3.96Å; L443-L453 HydrophobicContact CD1-CG 4.25Å; D451-L453 VanDerWaalsContact C-N 3.31Å; D451-L453 PolarHBondContact O-N 2.88Å; L453-F455 HydrophobicContact CB-CE1 4.39Å; L453-F455 HydrophobicContact CD2-CE1 4.5Å; L453-F455 WeakPolarHBondContact O-CD1 3.28Å; L453-F455 WeakPolarHBondContact O-CE1 3.41Å; L453-F455 PolarHBondContact O-N 2.64Å |
| 454 | G | 76 | Confident | 73.6 | Confident | 81 Ų | 81 | 115.8 Ų | 115.8 | 84% | 0.835 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 70.2 | -3.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E452 | E452-G454 PolarHBondContact O-N 2.92Š|
| 455 | F | 79.9 | Confident | 72.2 | Confident | 139 Ų | 139 | 113.5 Ų | 113.5 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -141.5 | 153.1 | 173.5 | 66.6 | -87.7 | 0 | 0 | 0 | 111.2 | L453 | L453-F455 HydrophobicContact CB-CE1 4.39Å; L453-F455 HydrophobicContact CD2-CE1 4.5Å; L453-F455 WeakPolarHBondContact O-CD1 3.28Å; L453-F455 WeakPolarHBondContact O-CE1 3.41Å; L453-F455 PolarHBondContact O-N 2.64Å |
| 456 | K | 78.6 | Confident | 70.4 | Confident | 198 Ų | 198 | 113.6 Ų | 113.6 | 86% | 0.861 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -101 | 118.7 | 172.5 | -70.6 | -176.3 | 179 | -179.8 | 0 | 109.2 | I458 | K456-I458 PolarHBondContact O-N 3.18Š|
| 457 | P | 77.2 | Confident | 68.9 | Low | 41 Ų | 41 | 106.2 Ų | 106.2 | 27% | 0.266 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 134.2 | 177.3 | 24.6 | -31.4 | 0 | 0 | 0 | 110.3 | L436 R459 | L436-P457 HydrophobicContact CD1-CB 3.74Å; L436-P457 HydrophobicContact CD1-CG 4.29Å; L436-P457 HydrophobicContact CD2-CB 3.7Å; L436-P457 HydrophobicContact CD2-CG 4.14Å; L436-P457 HydrophobicContact CG-CB 4.39Å; P457-R459 PolarHBondContact O-N 2.8Å |
| 458 | I | 79.3 | Confident | 67.6 | Low | 136 Ų | 136 | 107.7 Ų | 107.7 | 70% | 0.697 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.6 | -178.2 | -62.1 | 171.8 | 0 | 0 | 0 | 108.8 | K456 | K456-I458 PolarHBondContact O-N 3.18Š|
| 459 | R | 72.6 | Confident | 66.4 | Low | 81 Ų | 81 | 108.3 Ų | 108.3 | 31% | 0.306 | 56% | 0.557 | S | S | . | * | trans | -110.5 | 102.5 | 170.6 | -62.5 | -173.8 | -173.1 | -169.1 | 3.2 | 108.7 | L436 E440 P457 R461 | L436-R459 HydrophobicContact CD1-CG 4.36Å; E440-R459 IonicContact OE1-CZ 3.25Å; E440-R459 IonicContact OE1-NH2 3.47Å; E440-R459 PolarHBondContact OE1-NH2 3.26Å; E440-R459 IonicContact OE2-NH2 3.95Å; E440-R459 PolarHBondContact OE2-NH2 3.26Å; P457-R459 PolarHBondContact O-N 2.8Å; R459-R461 VanDerWaalsContact C-N 3.32Å; R459-R461 HydrophobicContact CB-CG 4.46Å; R459-R461 PolarHBondContact O-N 3.36Å | ||
| 460 | N | 63.2 | Low | 65.4 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | trans | -77.7 | 80.2 | 178.7 | -100 | -22.5 | 0 | 0 | 0 | 110.5 | ||||
| 461 | R | 60.7 | Low | 64.5 | Low | 167 Ų | 167 | 110.2 Ų | 110.2 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | trans | -91.3 | -6.5 | 178.1 | -69.4 | -169.6 | 172.4 | -169 | -2.1 | 114.5 | R459 Q463 | R459-R461 VanDerWaalsContact C-N 3.32Å; R459-R461 HydrophobicContact CB-CG 4.46Å; R459-R461 PolarHBondContact O-N 3.36Å; R461-Q463 PolarHBondContact O-N 3.35Å | ||
| 462 | D | 53.6 | Low | 63.6 | Low | 159 Ų | 159 | 108.2 Ų | 108.2 | 85% | 0.85 | 58% | 0.579 | S | S | * | * | trans | -85.6 | -5.9 | -169 | -66.7 | -21.4 | 0 | 0 | 0 | 115.6 | ||||
| 463 | Q | 54.6 | Low | 63.1 | Low | 116 Ų | 116 | 102.9 Ų | 102.9 | 54% | 0.542 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -83.2 | 123.7 | 173.3 | -73.3 | -178.5 | -15.3 | 0 | 0 | 109.1 | R461 Q465 | R461-Q463 PolarHBondContact O-N 3.35Å; Q463-Q465 VanDerWaalsContact C-N 3.26Å; Q463-Q465 WeakPolarHBondContact O-CG 3.39Å; Q463-Q465 PolarHBondContact O-N 3.49Å |
| 464 | Q | 53.7 | Low | 62.6 | Low | 192 Ų | 192 | 105 Ų | 105 | 90% | 0.897 | 57% | 0.572 | S | S | * | * | trans | -53.8 | 91.4 | 167.9 | -74.4 | 176.2 | -9.8 | 0 | 0 | 108.7 | L466 | Q464-L466 PolarHBondContact O-N 2.86Š| ||
| 465 | Q | 54.6 | Low | 62.1 | Low | 87 Ų | 87 | 101.7 Ų | 101.7 | 41% | 0.407 | 54% | 0.536 | S | S | . | . | trans | -68.6 | 122.5 | -177.7 | -71 | -178.7 | -2.8 | 0 | 0 | 108 | Q463 Y467 | Q463-Q465 VanDerWaalsContact C-N 3.26Å; Q463-Q465 WeakPolarHBondContact O-CG 3.39Å; Q463-Q465 PolarHBondContact O-N 3.49Å; Q465-Y467 PolarHBondContact O-N 3.24Å | ||
| 466 | L | 53.5 | Low | 61.3 | Low | 132 Ų | 132 | 98.2 Ų | 98.2 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -64.2 | -15.9 | 170.5 | -96.5 | 101 | 0 | 0 | 0 | 112.5 | Q464 | Q464-L466 PolarHBondContact O-N 2.86Š|
| 467 | Y | 57.2 | Low | 60.4 | Low | 28 Ų | 28 | 93.8 Ų | 93.8 | 11% | 0.11 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -110.4 | 124.1 | -174.7 | -56.9 | -78.6 | 0 | 0 | 0 | 109.8 | T426 Q465 | T426-Y467 HydrophobicContact CG2-CD2 4.49Å; Q465-Y467 PolarHBondContact O-N 3.24Å |
| 468 | V | 56.9 | Low | 59.2 | Low | 92 Ų | 92 | 96.6 Ų | 96.6 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | trans | -87.1 | 133.4 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | G470 | V468-G470 PolarHBondContact O-N 3.47Š| ||
| 469 | C | 56.5 | Low | 57.6 | Low | 66 Ų | 66 | 102.8 Ų | 102.8 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 113 | 169 | -74 | 0 | 0 | 0 | 0 | 109.1 | K430 | K430-C469 PolarHBondContact NZ-SG 3.4Å |
| 470 | G | 58.9 | Low | 56.8 | Low | 22 Ų | 22 | 103.9 Ų | 103.9 | 23% | 0.227 | 56% | 0.555 | C | S | . | * | trans | -68.3 | 169.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V468 A472 G473 I474 | V468-G470 PolarHBondContact O-N 3.47Å; G470-A472 PolarHBondContact O-N 3.12Å; G470-G473 PolarHBondContact O-N 3.13Å; G470-G473 VanDerWaalsContact O-N 3.12Å; G470-I474 PolarHBondContact N-O 3.09Å | ||
| 471 | P | 51.1 | Low | 56.5 | Low | 127 Ų | 127 | 104.2 Ų | 104.2 | 83% | 0.825 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 138.6 | 174.3 | 10.8 | -13.3 | 0 | 0 | 0 | 110.4 | ||
| 472 | A | 54.4 | Low | 56.2 | Low | 107 Ų | 107 | 100.7 Ų | 100.7 | 88% | 0.884 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 18.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | G470 | G470-A472 PolarHBondContact O-N 3.12Š|
| 473 | G | 59.9 | Low | 56.4 | Low | 31 Ų | 31 | 97.3 Ų | 97.3 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | S | Bend | trans | 78.9 | 29.7 | 169 | 0 | 0 | 0 | 0 | 0 | 113.7 | K430 G470 | K430-G473 WeakPolarHBondContact CD-O 3.4Å; K430-G473 WeakPolarHBondContact CE-O 3.3Å; K430-G473 PolarHBondContact NZ-O 3.01Å; G470-G473 PolarHBondContact O-N 3.13Å; G470-G473 VanDerWaalsContact O-N 3.12Å |
| 474 | I | 62.7 | Low | 56.5 | Low | 105 Ų | 105 | 96.1 Ų | 96.1 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | trans | -88.1 | 132.4 | 170.3 | -56.5 | 174.3 | 0 | 0 | 0 | 109.4 | K430 G470 T476 | K430-I474 PolarHBondContact NZ-O 3.29Å; G470-I474 PolarHBondContact N-O 3.09Å; I474-T476 HydrophobicContact CG2-CG2 3.84Å | ||
| 475 | I | 65.1 | Low | 56.7 | Low | 13 Ų | 13 | 89.7 Ų | 89.7 | 7% | 0.067 | 51% | 0.51 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 118.8 | 167.1 | -65.6 | 161.3 | 0 | 0 | 0 | 106.3 | Y423 T426 K427 K430 | Y423-I475 HydrophobicContact CD2-CG2 4.08Å; Y423-I475 HydrophobicContact CE2-CB 4.36Å; Y423-I475 HydrophobicContact CE2-CG2 3.74Å; Y423-I475 PolarHBondContact OH-O 2.92Å; T426-I475 VanDerWaalsContact C-CD1 3.49Å; T426-I475 HydrophobicContact CG2-CD1 3.88Å; T426-I475 HydrophobicContact CG2-CG1 4.42Å; T426-I475 HydrophobicContact CG2-CG2 4.09Å; T426-I475 VanDerWaalsContact O-CD1 3.25Å; T426-I475 WeakPolarHBondContact O-CD1 3.45Å; K427-I475 VanDerWaalsContact CA-CD1 3.4Å; K427-I475 HydrophobicContact CB-CD1 4.27Å; K430-I475 HydrophobicContact CB-CD1 3.46Å; K430-I475 VanDerWaalsContact CB-CD1 3.46Å; K430-I475 HydrophobicContact CB-CG1 4.37Å; K430-I475 HydrophobicContact CD-CD1 3.39Å; K430-I475 HydrophobicContact CD-CG1 3.42Å; K430-I475 VanDerWaalsContact CD-CG1 3.42Å; K430-I475 HydrophobicContact CG-CD1 4.12Å |
| 476 | T | 63.7 | Low | 56.9 | Low | 65 Ų | 65 | 89.9 Ų | 89.9 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | trans | -109.4 | 139.1 | 177.3 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | I474 N478 | I474-T476 HydrophobicContact CG2-CG2 3.84Å; T476-N478 PolarHBondContact O-N 3.21Å; T476-N478 VanDerWaalsContact O-N 3.14Å | ||
| 477 | E | 59.7 | Low | 57.1 | Low | 105 Ų | 105 | 86.7 Ų | 86.7 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | trans | -60.8 | 113.9 | 163 | -69.6 | 179.3 | 175.3 | 0 | 0 | 108 | Y423 K479 | Y423-E477 HydrophobicContact CD2-CG 3.86Å; Y423-E477 HydrophobicContact CE2-CG 4.07Å; Y423-E477 HydrophobicContact CG-CG 4.45Å; E477-K479 PolarHBondContact O-N 3.11Å | ||
| 478 | N | 51.9 | Low | 57.1 | Low | 100 Ų | 100 | 91.6 Ų | 91.6 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | trans | -70.7 | 113.4 | 163.7 | -97.3 | -17.7 | 0 | 0 | 0 | 106.5 | T476 | T476-N478 PolarHBondContact O-N 3.21Å; T476-N478 VanDerWaalsContact O-N 3.14Å | ||
| 479 | K | 44.7 | Very low | 57.1 | Low | 266 Ų | 266 | 91.5 Ų | 91.5 | 100% | 1.157 | 54% | 0.535 | S | S | * | . | trans | -74.9 | 0 | 165.3 | -83.2 | -171.8 | 175 | -177.9 | 0 | 110.7 | E477 | E477-K479 PolarHBondContact O-N 3.11Š|
Retrieved 479 of 479 residues in 148.3 ms
(Link to these results)