| 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 | 43.8 | Very low | 62.6 | Low | 240 Ų | 240 | 166.1 Ų | 166.1 | 100% | 1.182 | 78% | 0.783 | S | S | * | * | 0 | 131.7 | 0 | -69.2 | 171.9 | 170 | 0 | 0 | 109.4 | R3 | M1-R3 PolarHBondContact O-N 3.26Š| |||
| 2 | K | 47 | Very low | 64.9 | Low | 211 Ų | 211 | 160.2 Ų | 160.2 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -87.5 | 98.9 | 176.6 | -65.6 | -175.5 | -178.1 | -179.1 | 0 | 109.8 | K4 | K2-K4 PolarHBondContact O-N 3.05Š| ||
| 3 | R | 54.6 | Low | 66.8 | Low | 236 Ų | 236 | 158.2 Ų | 158.2 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -67.5 | 113 | 172.3 | -72.9 | -177.1 | 176.5 | 169.3 | -0.8 | 108.7 | M1 V5 | M1-R3 PolarHBondContact O-N 3.26Å; R3-V5 PolarHBondContact O-N 3Å | ||
| 4 | K | 53.3 | Low | 68.5 | Low | 206 Ų | 206 | 154 Ų | 154 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | trans | -70 | 95.8 | 168.1 | -69.6 | -177.4 | -178.8 | 178.8 | 0 | 107.8 | K2 S6 | K2-K4 PolarHBondContact O-N 3.05Å; K4-S6 PolarHBondContact O-N 3.23Å; K4-S6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | V | 57.8 | Low | 69.8 | Low | 131 Ų | 131 | 149.5 Ų | 149.5 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -67.6 | 108.5 | 166.5 | -176.2 | 0 | 0 | 0 | 0 | 106.4 | R3 K7 | R3-V5 PolarHBondContact O-N 3Å; V5-K7 PolarHBondContact O-N 3.22Å | ||
| 6 | S | 57.5 | Low | 71 | Confident | 84 Ų | 84 | 142.7 Ų | 142.7 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | trans | -58.2 | 131.6 | 169.6 | 37.1 | 0 | 0 | 0 | 0 | 108.2 | K4 L8 | K4-S6 PolarHBondContact O-N 3.23Å; K4-S6 VanDerWaalsContact O-N 3.11Å; S6-L8 PolarHBondContact O-N 3.12Å | ||
| 7 | K | 63.7 | Low | 72.3 | Confident | 200 Ų | 200 | 143.6 Ų | 143.6 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | trans | -70 | 88.1 | 168.3 | -69.8 | -176.3 | 179.1 | -178.1 | 0 | 107.1 | V5 R9 | V5-K7 PolarHBondContact O-N 3.22Å; K7-R9 PolarHBondContact O-N 3.35Å | ||
| 8 | L | 67.7 | Low | 73.4 | Confident | 161 Ų | 161 | 140.4 Ų | 140.4 | 84% | 0.843 | 68% | 0.677 | S | S | * | * | trans | -57.5 | 102 | 168.6 | -69.3 | 171.4 | 0 | 0 | 0 | 107 | S6 | S6-L8 PolarHBondContact O-N 3.12Š| ||
| 9 | R | 76.6 | Confident | 74.5 | Confident | 225 Ų | 225 | 138.4 Ų | 138.4 | 85% | 0.849 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 136.4 | 162.3 | -76.3 | -175.1 | 162.8 | 168.7 | -6.6 | 106.8 | K7 | K7-R9 PolarHBondContact O-N 3.35Š|
| 10 | L | 80.3 | Confident | 75.5 | Confident | 83 Ų | 83 | 140.8 Ų | 140.8 | 44% | 0.435 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 153.3 | 169.1 | -73.6 | 149.1 | 0 | 0 | 0 | 108.2 | E14 E15 I18 | L10-E14 HydrophobicContact CB-CB 4.2Å; L10-E14 HydrophobicContact CD2-CB 4.02Å; L10-E15 HydrophobicContact CB-CG 3.44Å; L10-E15 VanDerWaalsContact CB-CG 3.44Å; L10-E15 HydrophobicContact CD1-CG 4.23Å; L10-E15 HydrophobicContact CG-CG 4.47Å; L10-I18 HydrophobicContact CD1-CD1 4.02Å; L10-I18 HydrophobicContact CD2-CD1 4.21Å |
| 11 | S | 86.6 | Confident | 76.5 | Confident | 50 Ų | 50 | 138.9 Ų | 138.9 | 35% | 0.35 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -61 | 142.4 | 167.6 | 177.7 | 0 | 0 | 0 | 0 | 109 | N13 E14 E15 | S11-N13 PolarHBondContact O-N 3.14Å; S11-E14 WeakPolarHBondContact CB-OE2 3.28Å; S11-E14 PolarHBondContact N-OE2 2.96Å; S11-E14 WeakPolarHBondContact O-CA 3.35Å; S11-E14 WeakPolarHBondContact O-CB 3.47Å; S11-E14 PolarHBondContact O-N 3.09Å; S11-E15 PolarHBondContact O-N 3.01Å |
| 12 | P | 90 | Very high | 79 | Confident | 95 Ų | 95 | 130.4 Ų | 130.4 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -52.7 | -28.2 | 175.4 | -28.8 | 36.3 | 0 | 0 | 0 | 113.6 | A16 | P12-A16 WeakPolarHBondContact O-CB 3.43Å; P12-A16 PolarHBondContact O-N 3.15Å |
| 13 | N | 89.8 | Confident | 81.3 | Confident | 134 Ų | 134 | 125.3 Ų | 125.3 | 72% | 0.717 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.7 | -33.8 | 174.5 | -66 | -10.6 | 0 | 0 | 0 | 112.8 | S11 R17 | S11-N13 PolarHBondContact O-N 3.14Å; N13-R17 VanDerWaalsContact O-CB 3.25Å; N13-R17 WeakPolarHBondContact O-CB 3.37Å; N13-R17 PolarHBondContact O-N 3.06Å |
| 14 | E | 89.7 | Confident | 83.3 | Confident | 100 Ų | 100 | 117.1 Ų | 117.1 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.5 | -42.7 | 174.3 | -63.9 | 168.4 | 151.3 | 0 | 0 | 110.6 | L10 S11 R17 I18 | L10-E14 HydrophobicContact CB-CB 4.2Å; L10-E14 HydrophobicContact CD2-CB 4.02Å; S11-E14 WeakPolarHBondContact CB-OE2 3.28Å; S11-E14 PolarHBondContact N-OE2 2.96Å; S11-E14 WeakPolarHBondContact O-CA 3.35Å; S11-E14 WeakPolarHBondContact O-CB 3.47Å; S11-E14 PolarHBondContact O-N 3.09Å; E14-R17 PolarHBondContact O-N 3.24Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.34Å; E14-I18 PolarHBondContact O-N 3.32Å |
| 15 | E | 88.2 | Confident | 85.4 | Confident | 87 Ų | 87 | 115 Ų | 115 | 41% | 0.407 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.9 | -48.7 | 173.8 | -62.8 | -170.9 | 160.4 | 0 | 0 | 110.8 | L10 S11 R17 I18 I19 | L10-E15 HydrophobicContact CB-CG 3.44Å; L10-E15 VanDerWaalsContact CB-CG 3.44Å; L10-E15 HydrophobicContact CD1-CG 4.23Å; L10-E15 HydrophobicContact CG-CG 4.47Å; S11-E15 PolarHBondContact O-N 3.01Å; E15-R17 VanDerWaalsContact C-N 3.3Å; E15-R17 PolarHBondContact O-N 3.19Å; E15-I18 PolarHBondContact O-N 2.98Å; E15-I19 WeakPolarHBondContact O-CB 3.31Å; E15-I19 WeakPolarHBondContact O-CD1 3.43Å; E15-I19 VanDerWaalsContact O-CG1 3.23Å; E15-I19 WeakPolarHBondContact O-CG1 3.22Å; E15-I19 PolarHBondContact O-N 3.31Å |
| 16 | A | 90.2 | Very high | 87.3 | Confident | 40 Ų | 40 | 116 Ų | 116 | 33% | 0.331 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -36.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P12 R20 | P12-A16 WeakPolarHBondContact O-CB 3.43Å; P12-A16 PolarHBondContact O-N 3.15Å; A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.29Å; A16-R20 PolarHBondContact O-N 2.8Å |
| 17 | R | 92.7 | Very high | 89.2 | Confident | 159 Ų | 159 | 119.7 Ų | 119.7 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.8 | -49.3 | 174.8 | 178 | 177.7 | 173.3 | 170.4 | 0.3 | 111.7 | N13 E14 E15 I19 R20 E21 | N13-R17 VanDerWaalsContact O-CB 3.25Å; N13-R17 WeakPolarHBondContact O-CB 3.37Å; N13-R17 PolarHBondContact O-N 3.06Å; E14-R17 PolarHBondContact O-N 3.24Å; E15-R17 VanDerWaalsContact C-N 3.3Å; E15-R17 PolarHBondContact O-N 3.19Å; R17-I19 VanDerWaalsContact C-N 3.29Å; R17-I19 PolarHBondContact O-N 3.12Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 3.33Å; R17-R20 VanDerWaalsContact O-N 3.14Å; R17-E21 HydrophobicContact CG-CG 4.45Å; R17-E21 IonicContact CZ-OE1 3.94Å; R17-E21 VanDerWaalsContact CZ-OE1 3.3Å; R17-E21 IonicContact NE-OE1 2.75Å; R17-E21 PolarHBondContact NE-OE1 3.42Å; R17-E21 IonicContact NH2-OE1 3.72Å; R17-E21 PolarHBondContact NH2-OE1 2.93Å; R17-E21 WeakPolarHBondContact O-CG 3.25Å; R17-E21 PolarHBondContact O-N 3.15Å |
| 18 | I | 92.4 | Very high | 90.8 | Very high | 86 Ų | 86 | 116.1 Ų | 116.1 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 178.7 | -68.2 | 162.8 | 0 | 0 | 0 | 110.6 | L10 E14 E15 E21 E22 | L10-I18 HydrophobicContact CD1-CD1 4.02Å; L10-I18 HydrophobicContact CD2-CD1 4.21Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.34Å; E14-I18 PolarHBondContact O-N 3.32Å; E15-I18 PolarHBondContact O-N 2.98Å; I18-E21 PolarHBondContact O-N 3.31Å; I18-E22 WeakPolarHBondContact O-CB 3.47Å; I18-E22 PolarHBondContact O-N 3.15Å |
| 19 | I | 93.7 | Very high | 92.3 | Very high | 102 Ų | 102 | 112.7 Ų | 112.7 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.8 | -69.8 | 163.8 | 0 | 0 | 0 | 111.1 | E15 R17 L23 | E15-I19 WeakPolarHBondContact O-CB 3.31Å; E15-I19 WeakPolarHBondContact O-CD1 3.43Å; E15-I19 VanDerWaalsContact O-CG1 3.23Å; E15-I19 WeakPolarHBondContact O-CG1 3.22Å; E15-I19 PolarHBondContact O-N 3.31Å; R17-I19 VanDerWaalsContact C-N 3.29Å; R17-I19 PolarHBondContact O-N 3.12Å; I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.46Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 2.89Å |
| 20 | R | 94.6 | Very high | 93.3 | Very high | 186 Ų | 186 | 108.6 Ų | 108.6 | 70% | 0.702 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -47.4 | 175.9 | -73 | 170.7 | -176.2 | -170.9 | 1.9 | 112 | A16 R17 E22 L23 D24 | A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.29Å; A16-R20 PolarHBondContact O-N 2.8Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 3.33Å; R17-R20 VanDerWaalsContact O-N 3.14Å; R20-E22 VanDerWaalsContact C-N 3.35Å; R20-E22 PolarHBondContact O-N 2.84Å; R20-L23 PolarHBondContact O-N 2.88Å; R20-D24 PolarHBondContact O-N 2.69Å |
| 21 | E | 95.9 | Very high | 94.1 | Very high | 100 Ų | 100 | 108.1 Ų | 108.1 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | -179.7 | -71.9 | 177.3 | -180 | 0 | 0 | 112 | R17 I18 R25 | R17-E21 HydrophobicContact CG-CG 4.45Å; R17-E21 IonicContact CZ-OE1 3.94Å; R17-E21 VanDerWaalsContact CZ-OE1 3.3Å; R17-E21 IonicContact NE-OE1 2.75Å; R17-E21 PolarHBondContact NE-OE1 3.42Å; R17-E21 IonicContact NH2-OE1 3.72Å; R17-E21 PolarHBondContact NH2-OE1 2.93Å; R17-E21 WeakPolarHBondContact O-CG 3.25Å; R17-E21 PolarHBondContact O-N 3.15Å; I18-E21 PolarHBondContact O-N 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 PolarHBondContact O-N 3.45Å |
| 22 | E | 95.9 | Very high | 94.7 | Very high | 62 Ų | 62 | 110.6 Ų | 110.6 | 29% | 0.29 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.9 | -36.3 | 175.5 | 176.2 | 61.8 | -173.3 | 0 | 0 | 112.9 | I18 R20 R25 R26 | I18-E22 WeakPolarHBondContact O-CB 3.47Å; I18-E22 PolarHBondContact O-N 3.15Å; R20-E22 VanDerWaalsContact C-N 3.35Å; R20-E22 PolarHBondContact O-N 2.84Å; E22-R25 WeakPolarHBondContact O-CB 3.48Å; E22-R25 PolarHBondContact O-N 2.83Å; E22-R25 WeakPolarHBondContact OE2-CD 3.11Å; E22-R25 IonicContact OE2-NH1 2.64Å; E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.33Å; E22-R26 PolarHBondContact O-N 2.72Å; E22-R26 IonicContact OE1-CZ 3.18Å; E22-R26 IonicContact OE1-NE 3.57Å; E22-R26 PolarHBondContact OE1-NE 3.03Å; E22-R26 IonicContact OE1-NH2 2.76Å; E22-R26 PolarHBondContact OE1-NH2 3.42Å |
| 23 | L | 96.4 | Very high | 95 | Very high | 105 Ų | 105 | 110.3 Ų | 110.3 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 171.1 | -76.2 | 171 | 0 | 0 | 0 | 111.3 | I19 R20 R25 R26 R27 | I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.46Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 2.89Å; R20-L23 PolarHBondContact O-N 2.88Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 3.31Å; L23-R26 PolarHBondContact O-N 3.46Å; L23-R27 WeakPolarHBondContact O-CB 3.42Å; L23-R27 PolarHBondContact O-N 3.45Å |
| 24 | D | 96.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 106.4 Ų | 106.4 | 34% | 0.342 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 175 | -103.3 | -22.3 | 0 | 0 | 0 | 112.1 | R20 R27 K28 | R20-D24 PolarHBondContact O-N 2.69Å; D24-R27 PolarHBondContact O-N 2.96Å; D24-R27 IonicContact OD1-NH1 2.67Å; D24-K28 WeakPolarHBondContact O-CB 3.35Å; D24-K28 WeakPolarHBondContact O-CD 3.28Å; D24-K28 WeakPolarHBondContact O-CG 3.26Å; D24-K28 PolarHBondContact O-N 3.11Å |
| 25 | R | 97.6 | Very high | 95.8 | Very high | 161 Ų | 161 | 109 Ų | 109 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 173 | -168.4 | -174.9 | -169 | -175.9 | 4.7 | 111.2 | E21 E22 L23 K28 L29 | E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 PolarHBondContact O-N 3.45Å; E22-R25 WeakPolarHBondContact O-CB 3.48Å; E22-R25 PolarHBondContact O-N 2.83Å; E22-R25 WeakPolarHBondContact OE2-CD 3.11Å; E22-R25 IonicContact OE2-NH1 2.64Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 3.31Å; R25-K28 PolarHBondContact O-N 2.98Å; R25-L29 HydrophobicContact CG-CD1 4.35Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.37Å |
| 26 | R | 97.1 | Very high | 96.3 | Very high | 151 Ų | 151 | 109.7 Ų | 109.7 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 175.6 | -69.8 | 171.7 | -170.1 | -166.6 | 5.2 | 112 | E22 L23 L29 R30 | E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.33Å; E22-R26 PolarHBondContact O-N 2.72Å; E22-R26 IonicContact OE1-CZ 3.18Å; E22-R26 IonicContact OE1-NE 3.57Å; E22-R26 PolarHBondContact OE1-NE 3.03Å; E22-R26 IonicContact OE1-NH2 2.76Å; E22-R26 PolarHBondContact OE1-NH2 3.42Å; L23-R26 PolarHBondContact O-N 3.46Å; R26-L29 PolarHBondContact O-N 2.88Å; R26-R30 WeakPolarHBondContact O-CB 3.49Å; R26-R30 PolarHBondContact O-N 2.92Å |
| 27 | R | 97.5 | Very high | 96.7 | Very high | 162 Ų | 162 | 112.2 Ų | 112.2 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -46.5 | 174.7 | -176.2 | -179.6 | 175.7 | -141.1 | 2.2 | 111.6 | L23 D24 R30 I31 | L23-R27 WeakPolarHBondContact O-CB 3.42Å; L23-R27 PolarHBondContact O-N 3.45Å; D24-R27 PolarHBondContact O-N 2.96Å; D24-R27 IonicContact OD1-NH1 2.67Å; R27-R30 PolarHBondContact O-N 3.39Å; R27-I31 HydrophobicContact CG-CD1 4Å; R27-I31 VanDerWaalsContact O-CG1 3.28Å; R27-I31 WeakPolarHBondContact O-CG1 3.44Å; R27-I31 PolarHBondContact O-N 2.91Å |
| 28 | K | 97.9 | Very high | 96.9 | Very high | 126 Ų | 126 | 110.2 Ų | 110.2 | 55% | 0.548 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 176.4 | -72.2 | 161 | -170.4 | 169.4 | 0 | 111.4 | D24 R25 R30 I31 Q32 | D24-K28 WeakPolarHBondContact O-CB 3.35Å; D24-K28 WeakPolarHBondContact O-CD 3.28Å; D24-K28 WeakPolarHBondContact O-CG 3.26Å; D24-K28 PolarHBondContact O-N 3.11Å; R25-K28 PolarHBondContact O-N 2.98Å; K28-R30 PolarHBondContact O-N 3.41Å; K28-I31 PolarHBondContact O-N 2.89Å; K28-Q32 WeakPolarHBondContact O-CG 3.44Å; K28-Q32 PolarHBondContact O-N 3.15Å |
| 29 | L | 97.7 | Very high | 97.2 | Very high | 88 Ų | 88 | 114.3 Ų | 114.3 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.9 | -72.9 | 167.4 | 0 | 0 | 0 | 112.2 | R25 R26 Q32 Q33 | R25-L29 HydrophobicContact CG-CD1 4.35Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.37Å; R26-L29 PolarHBondContact O-N 2.88Å; L29-Q32 WeakPolarHBondContact O-CB 3.48Å; L29-Q32 PolarHBondContact O-N 3.32Å; L29-Q33 WeakPolarHBondContact O-CG 3.34Å; L29-Q33 PolarHBondContact O-N 3.31Å |
| 30 | R | 97.9 | Very high | 97.4 | Very high | 140 Ų | 140 | 115.3 Ų | 115.3 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 178.3 | -172.1 | 55.4 | 173.4 | 176.6 | 0.9 | 112.4 | R26 R27 K28 Q33 V34 | R26-R30 WeakPolarHBondContact O-CB 3.49Å; R26-R30 PolarHBondContact O-N 2.92Å; R27-R30 PolarHBondContact O-N 3.39Å; K28-R30 PolarHBondContact O-N 3.41Å; R30-Q33 PolarHBondContact O-N 2.92Å; R30-V34 WeakPolarHBondContact O-CG2 3.32Å; R30-V34 PolarHBondContact O-N 3.29Å |
| 31 | I | 97.8 | Very high | 97.6 | Very high | 72 Ų | 72 | 110.7 Ų | 110.7 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 173.8 | -69.4 | 165.4 | 0 | 0 | 0 | 111 | R27 K28 R35 | R27-I31 HydrophobicContact CG-CD1 4Å; R27-I31 VanDerWaalsContact O-CG1 3.28Å; R27-I31 WeakPolarHBondContact O-CG1 3.44Å; R27-I31 PolarHBondContact O-N 2.91Å; K28-I31 PolarHBondContact O-N 2.89Å; I31-R35 HydrophobicContact CG2-CG 4.49Å; I31-R35 WeakPolarHBondContact O-CB 3.49Å; I31-R35 VanDerWaalsContact O-CG 3.24Å; I31-R35 WeakPolarHBondContact O-CG 3.35Å; I31-R35 PolarHBondContact O-N 3.44Å |
| 32 | Q | 97.9 | Very high | 97.7 | Very high | 102 Ų | 102 | 108 Ų | 108 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 173.1 | -73.7 | 167.3 | -29.9 | 0 | 0 | 111.3 | K28 L29 V34 R35 E36 | K28-Q32 WeakPolarHBondContact O-CG 3.44Å; K28-Q32 PolarHBondContact O-N 3.15Å; L29-Q32 WeakPolarHBondContact O-CB 3.48Å; L29-Q32 PolarHBondContact O-N 3.32Å; Q32-V34 PolarHBondContact O-N 2.98Å; Q32-R35 PolarHBondContact O-N 3.25Å; Q32-R35 VanDerWaalsContact O-N 3.15Å; Q32-E36 WeakPolarHBondContact O-CG 3.23Å; Q32-E36 PolarHBondContact O-N 2.88Å |
| 33 | Q | 98.1 | Very high | 97.8 | Very high | 90 Ų | 90 | 109.1 Ų | 109.1 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -54.1 | -47.7 | 174.7 | -71.9 | 174.2 | -4.6 | 0 | 0 | 112.6 | L29 R30 R35 E36 Q37 | L29-Q33 WeakPolarHBondContact O-CG 3.34Å; L29-Q33 PolarHBondContact O-N 3.31Å; R30-Q33 PolarHBondContact O-N 2.92Å; Q33-R35 PolarHBondContact O-N 2.8Å; Q33-E36 PolarHBondContact O-N 3.29Å; Q33-Q37 WeakPolarHBondContact O-CB 3.31Å; Q33-Q37 WeakPolarHBondContact O-CG 3.47Å; Q33-Q37 PolarHBondContact O-N 2.85Å |
| 34 | V | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 109.5 Ų | 109.5 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 179.7 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | R30 Q32 E36 Q37 Q38 | R30-V34 WeakPolarHBondContact O-CG2 3.32Å; R30-V34 PolarHBondContact O-N 3.29Å; Q32-V34 PolarHBondContact O-N 2.98Å; V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 PolarHBondContact O-N 3.29Å; V34-Q37 PolarHBondContact O-N 2.79Å; V34-Q38 HydrophobicContact CG1-CG 4.33Å; V34-Q38 VanDerWaalsContact O-CB 3.3Å; V34-Q38 WeakPolarHBondContact O-CB 3.11Å; V34-Q38 WeakPolarHBondContact O-CG 3.39Å; V34-Q38 PolarHBondContact O-N 3.37Å |
| 35 | R | 97.9 | Very high | 98 | Very high | 155 Ų | 155 | 111 Ų | 111 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -36.8 | 174.4 | -75 | 171.2 | 174.8 | -171 | -2.5 | 112.5 | I31 Q32 Q33 R39 | I31-R35 HydrophobicContact CG2-CG 4.49Å; I31-R35 WeakPolarHBondContact O-CB 3.49Å; I31-R35 VanDerWaalsContact O-CG 3.24Å; I31-R35 WeakPolarHBondContact O-CG 3.35Å; I31-R35 PolarHBondContact O-N 3.44Å; Q32-R35 PolarHBondContact O-N 3.25Å; Q32-R35 VanDerWaalsContact O-N 3.15Å; Q33-R35 PolarHBondContact O-N 2.8Å; R35-R39 WeakPolarHBondContact O-CB 3.36Å; R35-R39 WeakPolarHBondContact O-CD 3.45Å; R35-R39 WeakPolarHBondContact O-CG 3.35Å; R35-R39 PolarHBondContact O-N 3.39Å |
| 36 | E | 98 | Very high | 98 | Very high | 101 Ų | 101 | 111 Ų | 111 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 176 | -74 | 164.5 | -170 | 0 | 0 | 111.7 | Q32 Q33 V34 R39 Q40 | Q32-E36 WeakPolarHBondContact O-CG 3.23Å; Q32-E36 PolarHBondContact O-N 2.88Å; Q33-E36 PolarHBondContact O-N 3.29Å; V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 PolarHBondContact O-N 3.29Å; E36-R39 WeakPolarHBondContact O-CB 3.47Å; E36-R39 PolarHBondContact O-N 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.42Å |
| 37 | Q | 98.1 | Very high | 98.1 | Very high | 93 Ų | 93 | 110.7 Ų | 110.7 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 172.7 | -72.1 | 175 | -24.9 | 0 | 0 | 111.4 | Q33 V34 R39 Q40 I41 | Q33-Q37 WeakPolarHBondContact O-CB 3.31Å; Q33-Q37 WeakPolarHBondContact O-CG 3.47Å; Q33-Q37 PolarHBondContact O-N 2.85Å; V34-Q37 PolarHBondContact O-N 2.79Å; Q37-R39 VanDerWaalsContact C-N 3.33Å; Q37-R39 PolarHBondContact O-N 3.4Å; Q37-Q40 PolarHBondContact O-N 2.93Å; Q37-I41 WeakPolarHBondContact O-CB 3.19Å; Q37-I41 VanDerWaalsContact O-CG1 3.27Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 2.92Å |
| 38 | Q | 97.6 | Very high | 98.2 | Very high | 117 Ų | 117 | 107.1 Ų | 107.1 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 175.4 | -76.5 | 171 | -18.6 | 0 | 0 | 112.4 | V34 A42 | V34-Q38 HydrophobicContact CG1-CG 4.33Å; V34-Q38 VanDerWaalsContact O-CB 3.3Å; V34-Q38 WeakPolarHBondContact O-CB 3.11Å; V34-Q38 WeakPolarHBondContact O-CG 3.39Å; V34-Q38 PolarHBondContact O-N 3.37Å; Q38-A42 WeakPolarHBondContact O-CB 3.43Å; Q38-A42 PolarHBondContact O-N 2.84Å |
| 39 | R | 98.3 | Very high | 98.2 | Very high | 173 Ų | 173 | 105.2 Ų | 105.2 | 65% | 0.653 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 173.4 | -75.9 | 164.2 | 174.1 | -175.7 | -4.3 | 111.8 | R35 E36 Q37 A42 L43 | R35-R39 WeakPolarHBondContact O-CB 3.36Å; R35-R39 WeakPolarHBondContact O-CD 3.45Å; R35-R39 WeakPolarHBondContact O-CG 3.35Å; R35-R39 PolarHBondContact O-N 3.39Å; E36-R39 WeakPolarHBondContact O-CB 3.47Å; E36-R39 PolarHBondContact O-N 3.3Å; Q37-R39 VanDerWaalsContact C-N 3.33Å; Q37-R39 PolarHBondContact O-N 3.4Å; R39-A42 PolarHBondContact O-N 3.5Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 3.22Å |
| 40 | Q | 98.4 | Very high | 98.2 | Very high | 123 Ų | 123 | 106 Ų | 106 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.7 | -47.2 | 178.4 | -70.5 | 172.3 | 3.1 | 0 | 0 | 111.7 | E36 Q37 L43 Q44 | E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.42Å; Q37-Q40 PolarHBondContact O-N 2.93Å; Q40-L43 PolarHBondContact O-N 2.9Å; Q40-Q44 WeakPolarHBondContact O-CG 3.16Å; Q40-Q44 PolarHBondContact O-N 3.21Å |
| 41 | I | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 106.9 Ų | 106.9 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.3 | -67.5 | 163.8 | 0 | 0 | 0 | 110.8 | Q37 L43 Q44 I45 | Q37-I41 WeakPolarHBondContact O-CB 3.19Å; Q37-I41 VanDerWaalsContact O-CG1 3.27Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 2.92Å; I41-L43 VanDerWaalsContact C-N 3.3Å; I41-L43 PolarHBondContact O-N 3.43Å; I41-Q44 WeakPolarHBondContact O-CB 3.46Å; I41-Q44 PolarHBondContact O-N 2.87Å; I41-Q44 VanDerWaalsContact O-N 3.17Å; I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.36Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 3.27Å |
| 42 | A | 98.4 | Very high | 98.3 | Very high | 42 Ų | 42 | 109.8 Ų | 109.8 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q38 R39 R46 | Q38-A42 WeakPolarHBondContact O-CB 3.43Å; Q38-A42 PolarHBondContact O-N 2.84Å; R39-A42 PolarHBondContact O-N 3.5Å; A42-R46 VanDerWaalsContact O-CG 3.26Å; A42-R46 WeakPolarHBondContact O-CG 3.4Å; A42-R46 PolarHBondContact O-N 2.78Å; A42-R46 VanDerWaalsContact O-N 3.1Å |
| 43 | L | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 112.9 Ų | 112.9 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 173.8 | -71.8 | 170.6 | 0 | 0 | 0 | 112.6 | R39 Q40 I41 R47 | R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 3.22Å; Q40-L43 PolarHBondContact O-N 2.9Å; I41-L43 VanDerWaalsContact C-N 3.3Å; I41-L43 PolarHBondContact O-N 3.43Å; L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 WeakPolarHBondContact O-CD 3.19Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.37Å |
| 44 | Q | 98.6 | Very high | 98.3 | Very high | 112 Ų | 112 | 113.5 Ų | 113.5 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -51 | 172.6 | -73.1 | 167.3 | -21.9 | 0 | 0 | 110.9 | Q40 I41 R46 R47 E48 | Q40-Q44 WeakPolarHBondContact O-CG 3.16Å; Q40-Q44 PolarHBondContact O-N 3.21Å; I41-Q44 WeakPolarHBondContact O-CB 3.46Å; I41-Q44 PolarHBondContact O-N 2.87Å; I41-Q44 VanDerWaalsContact O-N 3.17Å; Q44-R46 VanDerWaalsContact C-N 3.35Å; Q44-R46 PolarHBondContact O-N 2.89Å; Q44-R47 PolarHBondContact O-N 3.04Å; Q44-E48 PolarHBondContact O-N 3.3Å |
| 45 | I | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 116.5 Ų | 116.5 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 179 | -67.5 | 167.7 | 0 | 0 | 0 | 111.4 | I41 R47 E48 V49 | I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.36Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 3.27Å; I45-R47 PolarHBondContact O-N 2.86Å; I45-E48 PolarHBondContact O-N 3.43Å; I45-V49 HydrophobicContact CG2-CG2 4.42Å; I45-V49 WeakPolarHBondContact O-CG2 3.34Å; I45-V49 PolarHBondContact O-N 2.84Å |
| 46 | R | 98.4 | Very high | 98.4 | Very high | 162 Ų | 162 | 114.4 Ų | 114.4 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.5 | -50.6 | 175.9 | -75.1 | 172.2 | -174.1 | -165 | 0.5 | 111.8 | A42 Q44 E48 V49 E50 | A42-R46 VanDerWaalsContact O-CG 3.26Å; A42-R46 WeakPolarHBondContact O-CG 3.4Å; A42-R46 PolarHBondContact O-N 2.78Å; A42-R46 VanDerWaalsContact O-N 3.1Å; Q44-R46 VanDerWaalsContact C-N 3.35Å; Q44-R46 PolarHBondContact O-N 2.89Å; R46-E48 VanDerWaalsContact C-N 3.29Å; R46-E48 PolarHBondContact O-N 2.72Å; R46-V49 PolarHBondContact O-N 3.28Å; R46-E50 WeakPolarHBondContact O-CB 3.41Å; R46-E50 WeakPolarHBondContact O-CG 3.31Å; R46-E50 PolarHBondContact O-N 3.19Å |
| 47 | R | 98.5 | Very high | 98.4 | Very high | 145 Ų | 145 | 113.5 Ų | 113.5 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 178.3 | -71.3 | 168.2 | 175.9 | 177.7 | -2.6 | 113 | L43 Q44 I45 R51 | L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 WeakPolarHBondContact O-CD 3.19Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.37Å; Q44-R47 PolarHBondContact O-N 3.04Å; I45-R47 PolarHBondContact O-N 2.86Å; R47-R51 WeakPolarHBondContact O-CB 3.42Å; R47-R51 VanDerWaalsContact O-CD 3.32Å; R47-R51 WeakPolarHBondContact O-CD 3.45Å; R47-R51 WeakPolarHBondContact O-CG 3.5Å; R47-R51 PolarHBondContact O-N 3.11Å |
| 48 | E | 98.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 115.9 Ų | 115.9 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -44.3 | 174.1 | -78 | -173.1 | -139.5 | 0 | 0 | 112.6 | Q44 I45 R46 E50 R51 R52 | Q44-E48 PolarHBondContact O-N 3.3Å; I45-E48 PolarHBondContact O-N 3.43Å; R46-E48 VanDerWaalsContact C-N 3.29Å; R46-E48 PolarHBondContact O-N 2.72Å; E48-E50 VanDerWaalsContact C-N 3.35Å; E48-R51 PolarHBondContact O-N 3.14Å; E48-R52 VanDerWaalsContact O-CG 3.29Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE2-CZ 2.76Å; E48-R52 IonicContact OE2-NH2 3.82Å; E48-R52 PolarHBondContact OE2-NH2 2.9Å |
| 49 | V | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 114.7 Ų | 114.7 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I45 R46 R51 R52 R53 | I45-V49 HydrophobicContact CG2-CG2 4.42Å; I45-V49 WeakPolarHBondContact O-CG2 3.34Å; I45-V49 PolarHBondContact O-N 2.84Å; R46-V49 PolarHBondContact O-N 3.28Å; V49-R51 PolarHBondContact O-N 2.76Å; V49-R52 PolarHBondContact O-N 3.19Å; V49-R53 VanDerWaalsContact O-CB 3.3Å; V49-R53 WeakPolarHBondContact O-CB 3.07Å; V49-R53 PolarHBondContact O-N 2.85Å |
| 50 | E | 98.5 | Very high | 98.5 | Very high | 104 Ų | 104 | 110.8 Ų | 110.8 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 171.9 | -73.7 | 158 | -163.4 | 0 | 0 | 111.7 | R46 E48 Q54 | R46-E50 WeakPolarHBondContact O-CB 3.41Å; R46-E50 WeakPolarHBondContact O-CG 3.31Å; R46-E50 PolarHBondContact O-N 3.19Å; E48-E50 VanDerWaalsContact C-N 3.35Å; E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.36Å; E50-Q54 PolarHBondContact O-N 2.91Å |
| 51 | R | 98.5 | Very high | 98.5 | Very high | 159 Ų | 159 | 109.2 Ų | 109.2 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 177.3 | -76.3 | 165 | 178 | 179.5 | -4 | 112.9 | R47 E48 V49 Q54 Q55 | R47-R51 WeakPolarHBondContact O-CB 3.42Å; R47-R51 VanDerWaalsContact O-CD 3.32Å; R47-R51 WeakPolarHBondContact O-CD 3.45Å; R47-R51 WeakPolarHBondContact O-CG 3.5Å; R47-R51 PolarHBondContact O-N 3.11Å; E48-R51 PolarHBondContact O-N 3.14Å; V49-R51 PolarHBondContact O-N 2.76Å; R51-Q54 PolarHBondContact O-N 3.49Å; R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.35Å |
| 52 | R | 98.4 | Very high | 98.5 | Very high | 133 Ų | 133 | 109.9 Ų | 109.9 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 177.7 | -68.5 | 172.8 | -154.9 | -164.7 | 7.4 | 110.4 | E48 V49 Q54 Q55 E56 | E48-R52 VanDerWaalsContact O-CG 3.29Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE2-CZ 2.76Å; E48-R52 IonicContact OE2-NH2 3.82Å; E48-R52 PolarHBondContact OE2-NH2 2.9Å; V49-R52 PolarHBondContact O-N 3.19Å; R52-Q54 VanDerWaalsContact C-N 3.32Å; R52-Q54 PolarHBondContact O-N 2.92Å; R52-Q55 WeakPolarHBondContact O-CB 3.29Å; R52-Q55 PolarHBondContact O-N 2.91Å; R52-E56 WeakPolarHBondContact O-CG 3.32Å; R52-E56 PolarHBondContact O-N 3.5Å |
| 53 | R | 98.3 | Very high | 98.5 | Very high | 167 Ų | 167 | 114.5 Ų | 114.5 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.6 | -39.7 | 173.5 | -175.1 | 179.9 | 176.2 | -166.3 | -1.6 | 112.6 | V49 L57 | V49-R53 VanDerWaalsContact O-CB 3.3Å; V49-R53 WeakPolarHBondContact O-CB 3.07Å; V49-R53 PolarHBondContact O-N 2.85Å; R53-L57 HydrophobicContact CG-CD1 4.06Å; R53-L57 WeakPolarHBondContact O-CB 3.43Å; R53-L57 WeakPolarHBondContact O-CD1 3.32Å; R53-L57 VanDerWaalsContact O-CG 3.22Å; R53-L57 WeakPolarHBondContact O-CG 3.43Å; R53-L57 PolarHBondContact O-N 3.3Å |
| 54 | Q | 98.4 | Very high | 98.5 | Very high | 103 Ų | 103 | 116.2 Ų | 116.2 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 174.6 | -76.1 | 172.3 | 7.7 | 0 | 0 | 112.8 | E50 R51 R52 R58 | E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.36Å; E50-Q54 PolarHBondContact O-N 2.91Å; R51-Q54 PolarHBondContact O-N 3.49Å; R52-Q54 VanDerWaalsContact C-N 3.32Å; R52-Q54 PolarHBondContact O-N 2.92Å; Q54-R58 WeakPolarHBondContact O-CD 3.25Å; Q54-R58 VanDerWaalsContact O-CG 3.24Å; Q54-R58 WeakPolarHBondContact O-CG 3.48Å; Q54-R58 PolarHBondContact O-N 3.28Å; Q54-R58 VanDerWaalsContact O-N 3.11Å |
| 55 | Q | 98.4 | Very high | 98.5 | Very high | 113 Ų | 113 | 117.3 Ų | 117.3 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70 | -44.5 | 174.3 | -71.5 | 166.2 | -29.7 | 0 | 0 | 111.3 | R51 R52 R58 Q59 | R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.35Å; R52-Q55 WeakPolarHBondContact O-CB 3.29Å; R52-Q55 PolarHBondContact O-N 2.91Å; Q55-R58 PolarHBondContact O-N 3.42Å; Q55-Q59 WeakPolarHBondContact O-CG 3.29Å; Q55-Q59 PolarHBondContact O-N 3.47Å |
| 56 | E | 98.3 | Very high | 98.5 | Very high | 112 Ų | 112 | 117.5 Ų | 117.5 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 174.5 | -70.3 | 157.7 | -165 | 0 | 0 | 111.5 | R52 R58 Q59 L60 | R52-E56 WeakPolarHBondContact O-CG 3.32Å; R52-E56 PolarHBondContact O-N 3.5Å; E56-R58 PolarHBondContact O-N 3.06Å; E56-Q59 PolarHBondContact O-N 3.46Å; E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 2.78Å |
| 57 | L | 98.4 | Very high | 98.5 | Very high | 82 Ų | 82 | 112.5 Ų | 112.5 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.2 | -73.9 | 166.6 | 0 | 0 | 0 | 112.2 | R53 L60 E61 | R53-L57 HydrophobicContact CG-CD1 4.06Å; R53-L57 WeakPolarHBondContact O-CB 3.43Å; R53-L57 WeakPolarHBondContact O-CD1 3.32Å; R53-L57 VanDerWaalsContact O-CG 3.22Å; R53-L57 WeakPolarHBondContact O-CG 3.43Å; R53-L57 PolarHBondContact O-N 3.3Å; L57-L60 PolarHBondContact O-N 3.08Å; L57-E61 WeakPolarHBondContact O-CG 3.4Å; L57-E61 PolarHBondContact O-N 3.33Å |
| 58 | R | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 113.1 Ų | 113.1 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.2 | -73.1 | 169.2 | -170.3 | -175.8 | 3.3 | 112.4 | Q54 Q55 E56 L60 E61 E62 | Q54-R58 WeakPolarHBondContact O-CD 3.25Å; Q54-R58 VanDerWaalsContact O-CG 3.24Å; Q54-R58 WeakPolarHBondContact O-CG 3.48Å; Q54-R58 PolarHBondContact O-N 3.28Å; Q54-R58 VanDerWaalsContact O-N 3.11Å; Q55-R58 PolarHBondContact O-N 3.42Å; E56-R58 PolarHBondContact O-N 3.06Å; R58-L60 VanDerWaalsContact C-N 3.26Å; R58-L60 PolarHBondContact O-N 3.39Å; R58-E61 WeakPolarHBondContact O-CB 3.45Å; R58-E61 PolarHBondContact O-N 3.31Å; R58-E62 WeakPolarHBondContact O-CB 3.23Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.24Å; R58-E62 PolarHBondContact O-N 3.46Å |
| 59 | Q | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 113 Ų | 113 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 175.5 | -71.1 | 175 | 18.5 | 0 | 0 | 112.4 | Q55 E56 R63 | Q55-Q59 WeakPolarHBondContact O-CG 3.29Å; Q55-Q59 PolarHBondContact O-N 3.47Å; E56-Q59 PolarHBondContact O-N 3.46Å; Q59-R63 WeakPolarHBondContact O-CB 3.31Å; Q59-R63 WeakPolarHBondContact O-CD 3.44Å; Q59-R63 WeakPolarHBondContact O-CG 3.19Å; Q59-R63 PolarHBondContact O-N 3.45Å; Q59-R63 VanDerWaalsContact O-N 3.1Å |
| 60 | L | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 114.4 Ų | 114.4 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.6 | -41.8 | 173.2 | -69.4 | 170.3 | 0 | 0 | 0 | 111.7 | E56 L57 R58 R63 L64 | E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 2.78Å; L57-L60 PolarHBondContact O-N 3.08Å; R58-L60 VanDerWaalsContact C-N 3.26Å; R58-L60 PolarHBondContact O-N 3.39Å; L60-R63 PolarHBondContact O-N 3.04Å; L60-L64 VanDerWaalsContact O-CB 3.3Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 2.79Å |
| 61 | E | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 116.8 Ų | 116.8 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 172.4 | -74.8 | 176.5 | -140.7 | 0 | 0 | 112.2 | L57 R58 L64 R65 | L57-E61 WeakPolarHBondContact O-CG 3.4Å; L57-E61 PolarHBondContact O-N 3.33Å; R58-E61 WeakPolarHBondContact O-CB 3.45Å; R58-E61 PolarHBondContact O-N 3.31Å; E61-L64 PolarHBondContact O-N 3.03Å; E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.24Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.33Å; E61-R65 IonicContact OE2-CZ 3.3Å; E61-R65 IonicContact OE2-NH1 2.74Å; E61-R65 PolarHBondContact OE2-NH1 2.92Å; E61-R65 IonicContact OE2-NH2 3.78Å; E61-R65 PolarHBondContact OE2-NH2 3.02Å |
| 62 | E | 98.6 | Very high | 98.4 | Very high | 102 Ų | 102 | 112.2 Ų | 112.2 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 178.1 | -74.1 | 158.3 | -174.2 | 0 | 0 | 110.9 | R58 L64 R65 E66 | R58-E62 WeakPolarHBondContact O-CB 3.23Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.24Å; R58-E62 PolarHBondContact O-N 3.46Å; E62-L64 PolarHBondContact O-N 3.02Å; E62-R65 PolarHBondContact O-N 3.43Å; E62-E66 PolarHBondContact O-N 3.39Å |
| 63 | R | 98.7 | Very high | 98.4 | Very high | 140 Ų | 140 | 113.3 Ų | 113.3 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.3 | -70.6 | 168.8 | -165.8 | 174.8 | 8.6 | 112.5 | Q59 L60 R65 E66 D67 | Q59-R63 WeakPolarHBondContact O-CB 3.31Å; Q59-R63 WeakPolarHBondContact O-CD 3.44Å; Q59-R63 WeakPolarHBondContact O-CG 3.19Å; Q59-R63 PolarHBondContact O-N 3.45Å; Q59-R63 VanDerWaalsContact O-N 3.1Å; L60-R63 PolarHBondContact O-N 3.04Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.02Å; R63-E66 PolarHBondContact O-N 3.02Å; R63-D67 WeakPolarHBondContact O-CB 3.41Å; R63-D67 PolarHBondContact O-N 3.24Å |
| 64 | L | 98.4 | Very high | 98.5 | Very high | 122 Ų | 122 | 110.4 Ų | 110.4 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.7 | -31.8 | 178.7 | -72.2 | 170 | 0 | 0 | 0 | 112.5 | L60 E61 E62 W68 | L60-L64 VanDerWaalsContact O-CB 3.3Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 2.79Å; E61-L64 PolarHBondContact O-N 3.03Å; E62-L64 PolarHBondContact O-N 3.02Å; L64-W68 WeakPolarHBondContact O-CB 3.44Å; L64-W68 PolarHBondContact O-N 3.02Å |
| 65 | R | 98.7 | Very high | 98.5 | Very high | 136 Ų | 136 | 111.1 Ų | 111.1 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 170.2 | -73.7 | 168.9 | -171 | 133.1 | 12.7 | 111.1 | E61 E62 R63 W68 E69 | E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.24Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.33Å; E61-R65 IonicContact OE2-CZ 3.3Å; E61-R65 IonicContact OE2-NH1 2.74Å; E61-R65 PolarHBondContact OE2-NH1 2.92Å; E61-R65 IonicContact OE2-NH2 3.78Å; E61-R65 PolarHBondContact OE2-NH2 3.02Å; E62-R65 PolarHBondContact O-N 3.43Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.02Å; R65-W68 PolarHBondContact O-N 2.92Å; R65-E69 WeakPolarHBondContact O-CB 3.25Å; R65-E69 WeakPolarHBondContact O-CG 3.44Å; R65-E69 PolarHBondContact O-N 2.92Å |
| 66 | E | 98.7 | Very high | 98.5 | Very high | 98 Ų | 98 | 110.7 Ų | 110.7 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 176.2 | -75.7 | -171.5 | -131 | 0 | 0 | 112.3 | E62 R63 W68 E69 R70 | E62-E66 PolarHBondContact O-N 3.39Å; R63-E66 PolarHBondContact O-N 3.02Å; E66-W68 VanDerWaalsContact C-N 3.31Å; E66-W68 PolarHBondContact O-N 3.15Å; E66-E69 PolarHBondContact O-N 2.89Å; E66-R70 WeakPolarHBondContact O-CB 3.33Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.35Å; E66-R70 IonicContact OE2-CZ 2.9Å; E66-R70 IonicContact OE2-NE 3.87Å; E66-R70 IonicContact OE2-NH2 3.72Å; E66-R70 PolarHBondContact OE2-NH2 2.89Å |
| 67 | D | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 111 Ų | 111 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -33.2 | 179.7 | -70.5 | -25.7 | 0 | 0 | 0 | 112.2 | R63 R70 R71 | R63-D67 WeakPolarHBondContact O-CB 3.41Å; R63-D67 PolarHBondContact O-N 3.24Å; D67-R70 IonicContact OD1-CZ 2.7Å; D67-R70 IonicContact OD1-NE 2.76Å; D67-R70 IonicContact OD1-NH1 3.81Å; D67-R70 PolarHBondContact OD1-NH1 3.07Å; D67-R71 WeakPolarHBondContact O-CB 3.34Å; D67-R71 WeakPolarHBondContact O-CD 3.44Å; D67-R71 WeakPolarHBondContact O-CG 3.45Å; D67-R71 PolarHBondContact O-N 3.28Å |
| 68 | W | 98.4 | Very high | 98.5 | Very high | 158 Ų | 158 | 110.9 Ų | 110.9 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -47.7 | 170.4 | -178.6 | 92.6 | 0 | 0 | 0 | 111.2 | L64 R65 E66 R70 R71 Q72 | L64-W68 WeakPolarHBondContact O-CB 3.44Å; L64-W68 PolarHBondContact O-N 3.02Å; R65-W68 PolarHBondContact O-N 2.92Å; E66-W68 VanDerWaalsContact C-N 3.31Å; E66-W68 PolarHBondContact O-N 3.15Å; W68-R70 PolarHBondContact O-N 2.88Å; W68-R71 PolarHBondContact O-N 3.48Å; W68-Q72 HydrophobicContact CD2-CG 3.95Å; W68-Q72 VanDerWaalsContact CE2-NE2 3.29Å; W68-Q72 HydrophobicContact CE3-CG 4.02Å; W68-Q72 HydrophobicContact CH2-CG 3.91Å; W68-Q72 HydrophobicContact CZ2-CG 3.84Å; W68-Q72 VanDerWaalsContact CZ2-NE2 3.35Å; W68-Q72 HydrophobicContact CZ3-CG 4Å; W68-Q72 WeakPolarHBondContact O-CG 3.5Å; W68-Q72 PolarHBondContact O-N 3.17Å |
| 69 | E | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 109.4 Ų | 109.4 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 178.2 | -79.3 | -169.7 | -138.1 | 0 | 0 | 112.6 | R65 E66 Q72 R73 | R65-E69 WeakPolarHBondContact O-CB 3.25Å; R65-E69 WeakPolarHBondContact O-CG 3.44Å; R65-E69 PolarHBondContact O-N 2.92Å; E66-E69 PolarHBondContact O-N 2.89Å; E69-Q72 PolarHBondContact O-N 2.86Å; E69-R73 VanDerWaalsContact O-CG 3.23Å; E69-R73 WeakPolarHBondContact O-CG 3.37Å; E69-R73 PolarHBondContact O-N 3.1Å; E69-R73 IonicContact OE2-CZ 3.64Å; E69-R73 IonicContact OE2-NE 3.24Å; E69-R73 IonicContact OE2-NH2 2.94Å; E69-R73 PolarHBondContact OE2-NH2 3.43Å |
| 70 | R | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 110.4 Ų | 110.4 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.7 | -52.5 | 174 | -69.7 | 165.1 | -162.9 | 178.1 | -4.3 | 110.3 | E66 D67 W68 Q72 R73 E74 | E66-R70 WeakPolarHBondContact O-CB 3.33Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.35Å; E66-R70 IonicContact OE2-CZ 2.9Å; E66-R70 IonicContact OE2-NE 3.87Å; E66-R70 IonicContact OE2-NH2 3.72Å; E66-R70 PolarHBondContact OE2-NH2 2.89Å; D67-R70 IonicContact OD1-CZ 2.7Å; D67-R70 IonicContact OD1-NE 2.76Å; D67-R70 IonicContact OD1-NH1 3.81Å; D67-R70 PolarHBondContact OD1-NH1 3.07Å; W68-R70 PolarHBondContact O-N 2.88Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 2.85Å; R70-R73 WeakPolarHBondContact O-CB 3.47Å; R70-R73 PolarHBondContact O-N 3.21Å; R70-E74 VanDerWaalsContact C-OE1 3.3Å; R70-E74 VanDerWaalsContact O-CD 3.3Å; R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.9Å |
| 71 | R | 98.3 | Very high | 98.5 | Very high | 154 Ų | 154 | 107.8 Ų | 107.8 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.9 | -32.4 | 176.2 | -70.8 | 168.1 | -178.4 | 168.5 | 1.8 | 114.1 | D67 W68 E74 K75 | D67-R71 WeakPolarHBondContact O-CB 3.34Å; D67-R71 WeakPolarHBondContact O-CD 3.44Å; D67-R71 WeakPolarHBondContact O-CG 3.45Å; D67-R71 PolarHBondContact O-N 3.28Å; W68-R71 PolarHBondContact O-N 3.48Å; R71-E74 WeakPolarHBondContact CA-OE2 3.34Å; R71-K75 WeakPolarHBondContact O-CB 3.49Å; R71-K75 WeakPolarHBondContact O-CD 3.47Å; R71-K75 WeakPolarHBondContact O-CG 3.35Å; R71-K75 PolarHBondContact O-N 3.41Å; R71-K75 VanDerWaalsContact O-N 3.08Å |
| 72 | Q | 97.1 | Very high | 98.4 | Very high | 64 Ų | 64 | 108.4 Ų | 108.4 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.6 | -39.9 | 173 | -62.1 | -57.7 | -4.1 | 0 | 0 | 111.9 | W68 E69 R70 K75 L76 | W68-Q72 HydrophobicContact CD2-CG 3.95Å; W68-Q72 VanDerWaalsContact CE2-NE2 3.29Å; W68-Q72 HydrophobicContact CE3-CG 4.02Å; W68-Q72 HydrophobicContact CH2-CG 3.91Å; W68-Q72 HydrophobicContact CZ2-CG 3.84Å; W68-Q72 VanDerWaalsContact CZ2-NE2 3.35Å; W68-Q72 HydrophobicContact CZ3-CG 4Å; W68-Q72 WeakPolarHBondContact O-CG 3.5Å; W68-Q72 PolarHBondContact O-N 3.17Å; E69-Q72 PolarHBondContact O-N 2.86Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 2.85Å; Q72-K75 PolarHBondContact O-N 2.76Å; Q72-L76 WeakPolarHBondContact O-CB 3.22Å; Q72-L76 VanDerWaalsContact O-CG 3.28Å; Q72-L76 WeakPolarHBondContact O-CG 3.47Å; Q72-L76 PolarHBondContact O-N 2.92Å |
| 73 | R | 98.6 | Very high | 98.4 | Very high | 155 Ų | 155 | 110.3 Ų | 110.3 | 59% | 0.585 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 175.5 | -65.3 | 165.1 | -164.2 | -167.5 | 7.2 | 111.3 | E69 R70 L76 H77 | E69-R73 VanDerWaalsContact O-CG 3.23Å; E69-R73 WeakPolarHBondContact O-CG 3.37Å; E69-R73 PolarHBondContact O-N 3.1Å; E69-R73 IonicContact OE2-CZ 3.64Å; E69-R73 IonicContact OE2-NE 3.24Å; E69-R73 IonicContact OE2-NH2 2.94Å; E69-R73 PolarHBondContact OE2-NH2 3.43Å; R70-R73 WeakPolarHBondContact O-CB 3.47Å; R70-R73 PolarHBondContact O-N 3.21Å; R73-L76 PolarHBondContact O-N 3.09Å; R73-H77 WeakPolarHBondContact O-CB 3.12Å; R73-H77 PolarHBondContact O-N 2.85Å |
| 74 | E | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 108.1 Ų | 108.1 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 172.4 | -72.2 | 149.9 | -148.1 | 0 | 0 | 111.3 | R70 R71 L76 H77 T78 | R70-E74 VanDerWaalsContact C-OE1 3.3Å; R70-E74 VanDerWaalsContact O-CD 3.3Å; R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.9Å; R71-E74 WeakPolarHBondContact CA-OE2 3.34Å; E74-L76 PolarHBondContact O-N 3.42Å; E74-H77 PolarHBondContact O-N 3.2Å; E74-T78 WeakPolarHBondContact O-CG2 3.24Å; E74-T78 PolarHBondContact O-N 2.94Å; E74-T78 PolarHBondContact O-OG1 2.85Å; E74-T78 VanDerWaalsContact O-OG1 3.09Å |
| 75 | K | 98.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 107 Ų | 107 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 175.5 | -76.8 | 170.3 | -177.2 | -176.1 | 0 | 112.2 | R71 Q72 H77 T78 L79 | R71-K75 WeakPolarHBondContact O-CB 3.49Å; R71-K75 WeakPolarHBondContact O-CD 3.47Å; R71-K75 WeakPolarHBondContact O-CG 3.35Å; R71-K75 PolarHBondContact O-N 3.41Å; R71-K75 VanDerWaalsContact O-N 3.08Å; Q72-K75 PolarHBondContact O-N 2.76Å; K75-H77 VanDerWaalsContact C-N 3.33Å; K75-H77 PolarHBondContact O-N 2.97Å; K75-T78 WeakPolarHBondContact CA-OG1 3.32Å; K75-T78 PolarHBondContact O-N 3.47Å; K75-T78 PolarHBondContact O-OG1 3.2Å; K75-L79 WeakPolarHBondContact O-CB 3.34Å; K75-L79 VanDerWaalsContact O-CG 3.28Å; K75-L79 WeakPolarHBondContact O-CG 3.4Å; K75-L79 PolarHBondContact O-N 3.4Å |
| 76 | L | 98.6 | Very high | 98.2 | Very high | 103 Ų | 103 | 103 Ų | 103 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.5 | -72.4 | 170.2 | 0 | 0 | 0 | 111.6 | Q72 R73 E74 Q80 | Q72-L76 WeakPolarHBondContact O-CB 3.22Å; Q72-L76 VanDerWaalsContact O-CG 3.28Å; Q72-L76 WeakPolarHBondContact O-CG 3.47Å; Q72-L76 PolarHBondContact O-N 2.92Å; R73-L76 PolarHBondContact O-N 3.09Å; E74-L76 PolarHBondContact O-N 3.42Å; L76-Q80 WeakPolarHBondContact O-CB 3.49Å; L76-Q80 WeakPolarHBondContact O-CG 3.47Å; L76-Q80 PolarHBondContact O-N 3.27Å |
| 77 | H | 98.6 | Very high | 98 | Very high | 119 Ų | 119 | 102.2 Ų | 102.2 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.8 | -45.2 | 177.5 | -174.3 | 21.7 | 0 | 0 | 0 | 112 | R73 E74 K75 L79 Q80 S81 | R73-H77 WeakPolarHBondContact O-CB 3.12Å; R73-H77 PolarHBondContact O-N 2.85Å; E74-H77 PolarHBondContact O-N 3.2Å; K75-H77 VanDerWaalsContact C-N 3.33Å; K75-H77 PolarHBondContact O-N 2.97Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-L79 PolarHBondContact O-N 3.34Å; H77-Q80 WeakPolarHBondContact O-CB 3.34Å; H77-Q80 PolarHBondContact O-N 3.27Å; H77-Q80 VanDerWaalsContact O-N 3.15Å; H77-S81 PolarHBondContact O-N 2.76Å; H77-S81 PolarHBondContact O-OG 2.87Å |
| 78 | T | 98.5 | Very high | 97.7 | Very high | 80 Ų | 80 | 105 Ų | 105 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | E74 K75 S81 L82 | E74-T78 WeakPolarHBondContact O-CG2 3.24Å; E74-T78 PolarHBondContact O-N 2.94Å; E74-T78 PolarHBondContact O-OG1 2.85Å; E74-T78 VanDerWaalsContact O-OG1 3.09Å; K75-T78 WeakPolarHBondContact CA-OG1 3.32Å; K75-T78 PolarHBondContact O-N 3.47Å; K75-T78 PolarHBondContact O-OG1 3.2Å; T78-S81 PolarHBondContact O-N 2.93Å; T78-L82 WeakPolarHBondContact O-CB 3.34Å; T78-L82 VanDerWaalsContact O-CG 3.27Å; T78-L82 WeakPolarHBondContact O-CG 3.41Å; T78-L82 PolarHBondContact O-N 3.39Å |
| 79 | L | 98.5 | Very high | 97.4 | Very high | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.9 | -36.6 | 174.2 | -71.9 | 170.2 | 0 | 0 | 0 | 112 | K75 H77 Y83 | K75-L79 WeakPolarHBondContact O-CB 3.34Å; K75-L79 VanDerWaalsContact O-CG 3.28Å; K75-L79 WeakPolarHBondContact O-CG 3.4Å; K75-L79 PolarHBondContact O-N 3.4Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-L79 PolarHBondContact O-N 3.34Å; L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 2.68Å |
| 80 | Q | 98.4 | Very high | 97.2 | Very high | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 173.2 | -76.1 | 169.4 | 10.7 | 0 | 0 | 112.1 | L76 H77 Y83 L84 | L76-Q80 WeakPolarHBondContact O-CB 3.49Å; L76-Q80 WeakPolarHBondContact O-CG 3.47Å; L76-Q80 PolarHBondContact O-N 3.27Å; H77-Q80 WeakPolarHBondContact O-CB 3.34Å; H77-Q80 PolarHBondContact O-N 3.27Å; H77-Q80 VanDerWaalsContact O-N 3.15Å; Q80-Y83 PolarHBondContact O-N 3.04Å; Q80-L84 WeakPolarHBondContact O-CB 3.33Å; Q80-L84 VanDerWaalsContact O-CG 3.28Å; Q80-L84 WeakPolarHBondContact O-CG 3.12Å; Q80-L84 PolarHBondContact O-N 3.4Å |
| 81 | S | 98.3 | Very high | 96.8 | Very high | 37 Ų | 37 | 100 Ų | 100 | 26% | 0.259 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 176.1 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | H77 T78 Y83 L84 E85 | H77-S81 PolarHBondContact O-N 2.76Å; H77-S81 PolarHBondContact O-OG 2.87Å; T78-S81 PolarHBondContact O-N 2.93Å; S81-Y83 VanDerWaalsContact C-N 3.28Å; S81-Y83 PolarHBondContact O-N 3Å; S81-L84 CarbonylContact O-C 3.51Å; S81-L84 PolarHBondContact O-N 3.15Å; S81-L84 VanDerWaalsContact O-N 3.1Å; S81-E85 WeakPolarHBondContact O-CB 3.38Å; S81-E85 VanDerWaalsContact O-CG 3.32Å; S81-E85 WeakPolarHBondContact O-CG 3.38Å; S81-E85 PolarHBondContact O-N 3.25Å |
| 82 | L | 98.3 | Very high | 96.4 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 175.6 | -70.4 | 169.4 | 0 | 0 | 0 | 112.8 | T78 S86 | T78-L82 WeakPolarHBondContact O-CB 3.34Å; T78-L82 VanDerWaalsContact O-CG 3.27Å; T78-L82 WeakPolarHBondContact O-CG 3.41Å; T78-L82 PolarHBondContact O-N 3.39Å; L82-S86 WeakPolarHBondContact O-CB 3.34Å; L82-S86 PolarHBondContact O-N 3.01Å; L82-S86 PolarHBondContact O-OG 2.83Å |
| 83 | Y | 97.9 | Very high | 96 | Very high | 142 Ų | 142 | 98 Ų | 98 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.3 | -42 | 173.5 | 176.5 | -107.5 | 0 | 0 | 0 | 112.2 | L79 Q80 S81 S86 L87 | L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 2.68Å; Q80-Y83 PolarHBondContact O-N 3.04Å; S81-Y83 VanDerWaalsContact C-N 3.28Å; S81-Y83 PolarHBondContact O-N 3Å; Y83-S86 PolarHBondContact O-N 3.16Å; Y83-S86 PolarHBondContact O-OG 3.16Å; Y83-L87 HydrophobicContact CD1-CD1 4.07Å; Y83-L87 HydrophobicContact CE1-CD1 3.48Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.48Å; Y83-L87 HydrophobicContact CE1-CG 4.23Å; Y83-L87 HydrophobicContact CE2-CD1 4.38Å; Y83-L87 HydrophobicContact CE2-CG 4.3Å; Y83-L87 WeakPolarHBondContact O-CG 3.25Å; Y83-L87 PolarHBondContact O-N 3.21Å |
| 84 | L | 97.6 | Very high | 95.5 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 175.4 | -70.4 | 170 | 0 | 0 | 0 | 111.8 | Q80 S81 L87 Q88 | Q80-L84 WeakPolarHBondContact O-CB 3.33Å; Q80-L84 VanDerWaalsContact O-CG 3.28Å; Q80-L84 WeakPolarHBondContact O-CG 3.12Å; Q80-L84 PolarHBondContact O-N 3.4Å; S81-L84 CarbonylContact O-C 3.51Å; S81-L84 PolarHBondContact O-N 3.15Å; S81-L84 VanDerWaalsContact O-N 3.1Å; L84-L87 PolarHBondContact O-N 3.34Å; L84-Q88 WeakPolarHBondContact O-CB 3.4Å; L84-Q88 VanDerWaalsContact O-CG 3.24Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.33Å |
| 85 | E | 97 | Very high | 95 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 171.6 | -73.6 | 164.1 | -150.7 | 0 | 0 | 111.1 | S81 L87 Q88 L89 | S81-E85 WeakPolarHBondContact O-CB 3.38Å; S81-E85 VanDerWaalsContact O-CG 3.32Å; S81-E85 WeakPolarHBondContact O-CG 3.38Å; S81-E85 PolarHBondContact O-N 3.25Å; E85-L87 PolarHBondContact O-N 2.85Å; E85-Q88 CarbonylContact O-C 3.59Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 2.95Å; E85-Q88 VanDerWaalsContact O-N 3.11Å; E85-L89 WeakPolarHBondContact O-CB 3.44Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 2.96Å |
| 86 | S | 96.2 | Very high | 94.5 | Very high | 52 Ų | 52 | 95.3 Ų | 95.3 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.3 | 77.3 | 0 | 0 | 0 | 0 | 112.7 | L82 Y83 Q88 L89 I90 | L82-S86 WeakPolarHBondContact O-CB 3.34Å; L82-S86 PolarHBondContact O-N 3.01Å; L82-S86 PolarHBondContact O-OG 2.83Å; Y83-S86 PolarHBondContact O-N 3.16Å; Y83-S86 PolarHBondContact O-OG 3.16Å; S86-Q88 VanDerWaalsContact C-N 3.34Å; S86-L89 PolarHBondContact O-N 2.96Å; S86-I90 WeakPolarHBondContact O-CG1 3.5Å; S86-I90 PolarHBondContact O-N 3.39Å; S86-I90 VanDerWaalsContact O-N 3.12Å |
| 87 | L | 95.6 | Very high | 94 | Very high | 80 Ų | 80 | 92.5 Ų | 92.5 | 42% | 0.419 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 169.2 | -72.3 | 178.4 | 0 | 0 | 0 | 112.6 | Y83 L84 E85 I90 | Y83-L87 HydrophobicContact CD1-CD1 4.07Å; Y83-L87 HydrophobicContact CE1-CD1 3.48Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.48Å; Y83-L87 HydrophobicContact CE1-CG 4.23Å; Y83-L87 HydrophobicContact CE2-CD1 4.38Å; Y83-L87 HydrophobicContact CE2-CG 4.3Å; Y83-L87 WeakPolarHBondContact O-CG 3.25Å; Y83-L87 PolarHBondContact O-N 3.21Å; L84-L87 PolarHBondContact O-N 3.34Å; E85-L87 PolarHBondContact O-N 2.85Å; L87-I90 HydrophobicContact CD2-CD1 4.37Å |
| 88 | Q | 91.9 | Very high | 93.5 | Very high | 117 Ų | 117 | 94 Ų | 94 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.7 | -30.9 | 175.3 | -77.3 | 175.8 | 47.1 | 0 | 0 | 112.8 | L84 E85 S86 Q92 R95 | L84-Q88 WeakPolarHBondContact O-CB 3.4Å; L84-Q88 VanDerWaalsContact O-CG 3.24Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.33Å; E85-Q88 CarbonylContact O-C 3.59Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 2.95Å; E85-Q88 VanDerWaalsContact O-N 3.11Å; S86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-Q92 WeakPolarHBondContact O-CG 3.17Å; Q88-Q92 PolarHBondContact O-NE2 3.26Å; Q88-R95 PolarHBondContact O-NH2 3.27Å |
| 89 | L | 91.8 | Very high | 92.7 | Very high | 104 Ų | 104 | 96 Ų | 96 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.5 | -35.2 | 175.2 | -75.4 | 163.5 | 0 | 0 | 0 | 112.3 | E85 S86 G91 Q92 | E85-L89 WeakPolarHBondContact O-CB 3.44Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 2.96Å; S86-L89 PolarHBondContact O-N 2.96Å; L89-G91 PolarHBondContact O-N 3.32Å; L89-G91 VanDerWaalsContact O-N 3.16Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 WeakPolarHBondContact O-CG 3.2Å; L89-Q92 PolarHBondContact O-N 2.86Å |
| 90 | I | 94.9 | Very high | 92.3 | Very high | 120 Ų | 120 | 94 Ų | 94 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 120.3 | 177.8 | -71.6 | 166.8 | 0 | 0 | 0 | 110.4 | S86 L87 Q92 R95 | S86-I90 WeakPolarHBondContact O-CG1 3.5Å; S86-I90 PolarHBondContact O-N 3.39Å; S86-I90 VanDerWaalsContact O-N 3.12Å; L87-I90 HydrophobicContact CD2-CD1 4.37Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.3Å; I90-R95 PolarHBondContact O-NH2 2.88Å |
| 91 | G | 89.1 | Confident | 91.7 | Very high | 28 Ų | 28 | 95 Ų | 95 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 20.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L89 S93 R95 | L89-G91 PolarHBondContact O-N 3.32Å; L89-G91 VanDerWaalsContact O-N 3.16Å; G91-S93 VanDerWaalsContact C-N 3.33Å; G91-R95 PolarHBondContact O-N 3.49Å; G91-R95 PolarHBondContact O-NE 2.59Å; G91-R95 VanDerWaalsContact O-NE 3.08Å |
| 92 | Q | 90.5 | Very high | 91.1 | Very high | 83 Ų | 83 | 96.1 Ų | 96.1 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 165.3 | -77.7 | -173.8 | 6.7 | 0 | 0 | 111 | Q88 L89 I90 H94 R95 S96 | Q88-Q92 WeakPolarHBondContact O-CG 3.17Å; Q88-Q92 PolarHBondContact O-NE2 3.26Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 WeakPolarHBondContact O-CG 3.2Å; L89-Q92 PolarHBondContact O-N 2.86Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.3Å; Q92-H94 PolarHBondContact O-N 3.45Å; Q92-H94 VanDerWaalsContact O-N 3.1Å; Q92-R95 CarbonylContact O-C 3.56Å; Q92-R95 WeakPolarHBondContact O-CA 3.34Å; Q92-R95 WeakPolarHBondContact O-CB 3.3Å; Q92-R95 PolarHBondContact O-N 3.27Å; Q92-S96 PolarHBondContact O-N 3.36Å; Q92-S96 PolarHBondContact O-OG 3.03Å |
| 93 | S | 87.9 | Confident | 90.5 | Very high | 92 Ų | 92 | 96.7 Ų | 96.7 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.7 | -32.5 | 179.8 | -41.1 | 0 | 0 | 0 | 0 | 113.6 | G91 S96 A97 | G91-S93 VanDerWaalsContact C-N 3.33Å; S93-S96 PolarHBondContact O-OG 3.1Å; S93-A97 WeakPolarHBondContact O-CB 3.45Å; S93-A97 PolarHBondContact O-N 3.18Å |
| 94 | H | 88.8 | Confident | 89.9 | Confident | 154 Ų | 154 | 95.1 Ų | 95.1 | 71% | 0.713 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.4 | -30.8 | 174.7 | -66 | -58.9 | 0 | 0 | 0 | 113.3 | Q92 K98 | Q92-H94 PolarHBondContact O-N 3.45Å; Q92-H94 VanDerWaalsContact O-N 3.1Å; H94-K98 WeakPolarHBondContact O-CB 3.26Å; H94-K98 PolarHBondContact O-N 2.88Å |
| 95 | R | 88.1 | Confident | 89.5 | Confident | 114 Ų | 114 | 92.5 Ų | 92.5 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74 | -52.2 | 175.7 | -74.1 | 174.8 | -89.6 | 159.8 | -7.4 | 110.5 | Q88 I90 G91 Q92 A97 K98 E99 | Q88-R95 PolarHBondContact O-NH2 3.27Å; I90-R95 PolarHBondContact O-NH2 2.88Å; G91-R95 PolarHBondContact O-N 3.49Å; G91-R95 PolarHBondContact O-NE 2.59Å; G91-R95 VanDerWaalsContact O-NE 3.08Å; Q92-R95 CarbonylContact O-C 3.56Å; Q92-R95 WeakPolarHBondContact O-CA 3.34Å; Q92-R95 WeakPolarHBondContact O-CB 3.3Å; Q92-R95 PolarHBondContact O-N 3.27Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.92Å; R95-K98 PolarHBondContact O-N 3.47Å; R95-K98 VanDerWaalsContact O-N 3.14Å; R95-E99 WeakPolarHBondContact O-CG 3.44Å; R95-E99 PolarHBondContact O-N 2.65Å |
| 96 | S | 87.6 | Confident | 89.3 | Confident | 56 Ų | 56 | 89.5 Ų | 89.5 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 177.2 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | Q92 S93 E99 T100 | Q92-S96 PolarHBondContact O-N 3.36Å; Q92-S96 PolarHBondContact O-OG 3.03Å; S93-S96 PolarHBondContact O-OG 3.1Å; S96-E99 PolarHBondContact O-N 3.15Å; S96-T100 VanDerWaalsContact O-CB 3.3Å; S96-T100 WeakPolarHBondContact O-CB 3.33Å; S96-T100 PolarHBondContact O-N 3.32Å; S96-T100 PolarHBondContact O-OG1 3.27Å |
| 97 | A | 88.6 | Confident | 89 | Confident | 44 Ų | 44 | 89 Ų | 89 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S93 R95 E99 T100 E101 | S93-A97 WeakPolarHBondContact O-CB 3.45Å; S93-A97 PolarHBondContact O-N 3.18Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.92Å; A97-E99 VanDerWaalsContact C-N 3.32Å; A97-E99 PolarHBondContact O-N 2.92Å; A97-T100 CarbonylContact O-C 3.56Å; A97-T100 PolarHBondContact O-N 3.3Å; A97-E101 WeakPolarHBondContact O-CG 3.39Å; A97-E101 PolarHBondContact O-N 2.78Å |
| 98 | K | 87.3 | Confident | 88.8 | Confident | 152 Ų | 152 | 88.5 Ų | 88.5 | 66% | 0.661 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.4 | -33.4 | 177.8 | -174.3 | -178 | 177.6 | -173.4 | 0 | 113.1 | H94 R95 A102 | H94-K98 WeakPolarHBondContact O-CB 3.26Å; H94-K98 PolarHBondContact O-N 2.88Å; R95-K98 PolarHBondContact O-N 3.47Å; R95-K98 VanDerWaalsContact O-N 3.14Å; K98-A102 PolarHBondContact O-N 3.48Å |
| 99 | E | 83.1 | Confident | 88.8 | Confident | 120 Ų | 120 | 88.6 Ų | 88.6 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.4 | -45.4 | 172.6 | -72 | 152 | -167.6 | 0 | 0 | 110.2 | R95 S96 A97 E101 A102 D103 | R95-E99 WeakPolarHBondContact O-CG 3.44Å; R95-E99 PolarHBondContact O-N 2.65Å; S96-E99 PolarHBondContact O-N 3.15Å; A97-E99 VanDerWaalsContact C-N 3.32Å; A97-E99 PolarHBondContact O-N 2.92Å; E99-E101 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.48Å; E99-A102 WeakPolarHBondContact O-CB 3.1Å; E99-A102 PolarHBondContact O-N 2.85Å; E99-D103 PolarHBondContact O-N 3.26Å |
| 100 | T | 88.8 | Confident | 88.9 | Confident | 72 Ų | 72 | 90.5 Ų | 90.5 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 175.2 | -53 | 0 | 0 | 0 | 0 | 112.5 | S96 A97 A102 D103 L104 | S96-T100 VanDerWaalsContact O-CB 3.3Å; S96-T100 WeakPolarHBondContact O-CB 3.33Å; S96-T100 PolarHBondContact O-N 3.32Å; S96-T100 PolarHBondContact O-OG1 3.27Å; A97-T100 CarbonylContact O-C 3.56Å; A97-T100 PolarHBondContact O-N 3.3Å; T100-A102 VanDerWaalsContact C-N 3.27Å; T100-A102 PolarHBondContact O-N 3.42Å; T100-D103 PolarHBondContact O-N 2.91Å; T100-L104 HydrophobicContact CG2-CD1 4.03Å; T100-L104 HydrophobicContact CG2-CG 4.25Å; T100-L104 WeakPolarHBondContact O-CB 3.12Å; T100-L104 VanDerWaalsContact O-CG 3.25Å; T100-L104 WeakPolarHBondContact O-CG 3.26Å; T100-L104 PolarHBondContact O-N 3.17Å |
| 101 | E | 85.6 | Confident | 88.7 | Confident | 132 Ų | 132 | 90.3 Ų | 90.3 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.8 | -38 | 173.4 | -78.5 | 170.2 | -172.3 | 0 | 0 | 112 | A97 E99 A105 | A97-E101 WeakPolarHBondContact O-CG 3.39Å; A97-E101 PolarHBondContact O-N 2.78Å; E99-E101 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.48Å; E101-A105 WeakPolarHBondContact O-CB 3.49Å; E101-A105 PolarHBondContact O-N 2.78Å; E101-A105 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 85.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.4 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K98 E99 T100 A105 A106 | K98-A102 PolarHBondContact O-N 3.48Å; E99-A102 WeakPolarHBondContact O-CB 3.1Å; E99-A102 PolarHBondContact O-N 2.85Å; T100-A102 VanDerWaalsContact C-N 3.27Å; T100-A102 PolarHBondContact O-N 3.42Å; A102-A105 PolarHBondContact O-N 2.83Å; A102-A106 PolarHBondContact O-N 3.48Å |
| 103 | D | 87.5 | Confident | 89.2 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 61% | 0.61 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 175.7 | -72.2 | -29.5 | 0 | 0 | 0 | 111.9 | E99 T100 A106 A107 | E99-D103 PolarHBondContact O-N 3.26Å; T100-D103 PolarHBondContact O-N 2.91Å; D103-A106 PolarHBondContact O-N 3.24Å; D103-A107 PolarHBondContact O-N 3.42Å |
| 104 | L | 84.6 | Confident | 89.6 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 172.9 | -73.3 | 170.2 | 0 | 0 | 0 | 111.6 | T100 A106 A107 T108 | T100-L104 HydrophobicContact CG2-CD1 4.03Å; T100-L104 HydrophobicContact CG2-CG 4.25Å; T100-L104 WeakPolarHBondContact O-CB 3.12Å; T100-L104 VanDerWaalsContact O-CG 3.25Å; T100-L104 WeakPolarHBondContact O-CG 3.26Å; T100-L104 PolarHBondContact O-N 3.17Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.91Å; L104-A107 WeakPolarHBondContact O-CB 3.36Å; L104-A107 PolarHBondContact O-N 3.12Å; L104-T108 PolarHBondContact O-N 2.96Å; L104-T108 PolarHBondContact O-OG1 3.12Å |
| 105 | A | 90 | Very high | 89.9 | Confident | 41 Ų | 41 | 97 Ų | 97 | 34% | 0.339 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -31 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E101 A102 T108 Q109 | E101-A105 WeakPolarHBondContact O-CB 3.49Å; E101-A105 PolarHBondContact O-N 2.78Å; E101-A105 VanDerWaalsContact O-N 3.09Å; A102-A105 PolarHBondContact O-N 2.83Å; A105-T108 PolarHBondContact O-OG1 2.91Å; A105-Q109 VanDerWaalsContact O-CG 3.28Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.94Å |
| 106 | A | 91.4 | Very high | 90.3 | Very high | 35 Ų | 35 | 95.5 Ų | 95.5 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.8 | -33 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A102 D103 L104 R110 | A102-A106 PolarHBondContact O-N 3.48Å; D103-A106 PolarHBondContact O-N 3.24Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.91Å; A106-R110 WeakPolarHBondContact O-CG 3.21Å; A106-R110 PolarHBondContact O-N 3.28Å |
| 107 | A | 90.8 | Very high | 90.8 | Very high | 42 Ų | 42 | 96.6 Ų | 96.6 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -48.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | D103 L104 Q109 R110 E111 | D103-A107 PolarHBondContact O-N 3.42Å; L104-A107 WeakPolarHBondContact O-CB 3.36Å; L104-A107 PolarHBondContact O-N 3.12Å; A107-Q109 VanDerWaalsContact C-N 3.31Å; A107-Q109 PolarHBondContact O-N 3.38Å; A107-R110 WeakPolarHBondContact O-CB 3.48Å; A107-R110 PolarHBondContact O-N 2.9Å; A107-E111 PolarHBondContact O-N 3.44Å |
| 108 | T | 90.4 | Very high | 91.2 | Very high | 69 Ų | 69 | 97 Ų | 97 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 179 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | L104 A105 R110 E111 E112 | L104-T108 PolarHBondContact O-N 2.96Å; L104-T108 PolarHBondContact O-OG1 3.12Å; A105-T108 PolarHBondContact O-OG1 2.91Å; T108-R110 VanDerWaalsContact C-N 3.33Å; T108-R110 PolarHBondContact O-N 3.31Å; T108-E111 PolarHBondContact O-N 2.91Å; T108-E112 WeakPolarHBondContact O-CG 3.4Å; T108-E112 PolarHBondContact O-N 3.4Å |
| 109 | Q | 92.8 | Very high | 91.6 | Very high | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -38.2 | 173.1 | -74.2 | 171.7 | 23.8 | 0 | 0 | 112.8 | A105 A107 E113 | A105-Q109 VanDerWaalsContact O-CG 3.28Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.94Å; A107-Q109 VanDerWaalsContact C-N 3.31Å; A107-Q109 PolarHBondContact O-N 3.38Å; Q109-E113 WeakPolarHBondContact O-CB 3.22Å; Q109-E113 PolarHBondContact O-N 3.43Å |
| 110 | R | 93.4 | Very high | 92.3 | Very high | 144 Ų | 144 | 93.6 Ų | 93.6 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 173.8 | -65.5 | 169.6 | -169.2 | -170.2 | 6.2 | 110.9 | A106 A107 T108 E113 H114 E477 | A106-R110 WeakPolarHBondContact O-CG 3.21Å; A106-R110 PolarHBondContact O-N 3.28Å; A107-R110 WeakPolarHBondContact O-CB 3.48Å; A107-R110 PolarHBondContact O-N 2.9Å; T108-R110 VanDerWaalsContact C-N 3.33Å; T108-R110 PolarHBondContact O-N 3.31Å; R110-E113 WeakPolarHBondContact O-CB 3.5Å; R110-E113 PolarHBondContact O-N 2.9Å; R110-H114 PolarHBondContact O-CD2 3.33Å; R110-H114 VanDerWaalsContact O-CG 3.3Å; R110-H114 PolarHBondContact O-N 2.87Å; R110-E477 IonicContact NH1-OE1 3.26Å |
| 111 | E | 90.9 | Very high | 92.7 | Very high | 117 Ų | 117 | 98.7 Ų | 98.7 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.5 | -68.2 | -179.6 | 161.9 | 0 | 0 | 111.7 | A107 T108 E113 H114 H115 | A107-E111 PolarHBondContact O-N 3.44Å; T108-E111 PolarHBondContact O-N 2.91Å; E111-E113 PolarHBondContact O-N 3.39Å; E111-H114 CarbonylContact O-C 3.59Å; E111-H114 PolarHBondContact O-N 3.48Å; E111-H114 VanDerWaalsContact O-N 3.13Å; E111-H115 PolarHBondContact O-CD2 2.94Å; E111-H115 PolarHBondContact O-N 2.87Å |
| 112 | E | 93.6 | Very high | 93.2 | Very high | 129 Ų | 129 | 99.6 Ų | 99.6 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.6 | -47.2 | 173.1 | -74.6 | 179.1 | 178.1 | 0 | 0 | 111.7 | T108 H114 H115 V116 | T108-E112 WeakPolarHBondContact O-CG 3.4Å; T108-E112 PolarHBondContact O-N 3.4Å; E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 2.83Å; E112-H115 PolarHBondContact O-N 3.4Å; E112-V116 WeakPolarHBondContact O-CG2 3.13Å; E112-V116 PolarHBondContact O-N 3.28Å |
| 113 | E | 96.3 | Very high | 93.8 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 173.3 | -87.4 | -165.1 | -141.5 | 0 | 0 | 112.4 | Q109 R110 E111 K117 | Q109-E113 WeakPolarHBondContact O-CB 3.22Å; Q109-E113 PolarHBondContact O-N 3.43Å; R110-E113 WeakPolarHBondContact O-CB 3.5Å; R110-E113 PolarHBondContact O-N 2.9Å; E111-E113 PolarHBondContact O-N 3.39Å; E113-K117 WeakPolarHBondContact O-CB 3.46Å; E113-K117 WeakPolarHBondContact O-CD 3.48Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.38Å; E113-K117 IonicContact OE2-NZ 2.59Å; E113-K117 PolarHBondContact OE2-NZ 3.39Å |
| 114 | H | 95.8 | Very high | 94.3 | Very high | 123 Ų | 123 | 103.1 Ų | 103.1 | 57% | 0.569 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 177.2 | -71.4 | -54.7 | 0 | 0 | 0 | 112 | R110 E111 E112 K117 A118 | R110-H114 PolarHBondContact O-CD2 3.33Å; R110-H114 VanDerWaalsContact O-CG 3.3Å; R110-H114 PolarHBondContact O-N 2.87Å; E111-H114 CarbonylContact O-C 3.59Å; E111-H114 PolarHBondContact O-N 3.48Å; E111-H114 VanDerWaalsContact O-N 3.13Å; E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 2.83Å; H114-K117 PolarHBondContact O-N 3.48Å; H114-A118 WeakPolarHBondContact O-CB 3.28Å; H114-A118 PolarHBondContact O-N 3.1Å |
| 115 | H | 96.6 | Very high | 94.9 | Very high | 135 Ų | 135 | 100.4 Ų | 100.4 | 63% | 0.625 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -46.1 | 173.7 | -84.9 | -71.1 | 0 | 0 | 0 | 112.1 | E111 E112 K117 A118 E119 | E111-H115 PolarHBondContact O-CD2 2.94Å; E111-H115 PolarHBondContact O-N 2.87Å; E112-H115 PolarHBondContact O-N 3.4Å; H115-K117 PolarHBondContact O-N 3.41Å; H115-A118 WeakPolarHBondContact O-CB 3.43Å; H115-A118 PolarHBondContact O-N 2.91Å; H115-E119 PolarHBondContact O-N 2.87Å |
| 116 | V | 96.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 101.4 Ų | 101.4 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | E112 A118 E119 E120 | E112-V116 WeakPolarHBondContact O-CG2 3.13Å; E112-V116 PolarHBondContact O-N 3.28Å; V116-A118 VanDerWaalsContact C-N 3.27Å; V116-A118 PolarHBondContact O-N 2.83Å; V116-E119 WeakPolarHBondContact O-CB 3.3Å; V116-E119 PolarHBondContact O-N 3.28Å; V116-E119 VanDerWaalsContact O-N 3.17Å; V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.32Å |
| 117 | K | 97.5 | Very high | 95.5 | Very high | 79 Ų | 79 | 105.5 Ų | 105.5 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 177.2 | -68 | 161.1 | -163.3 | 170 | 0 | 112.5 | E113 H114 H115 R121 | E113-K117 WeakPolarHBondContact O-CB 3.46Å; E113-K117 WeakPolarHBondContact O-CD 3.48Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.38Å; E113-K117 IonicContact OE2-NZ 2.59Å; E113-K117 PolarHBondContact OE2-NZ 3.39Å; H114-K117 PolarHBondContact O-N 3.48Å; H115-K117 PolarHBondContact O-N 3.41Å; K117-R121 WeakPolarHBondContact O-CD 3.2Å; K117-R121 VanDerWaalsContact O-CG 3.25Å; K117-R121 WeakPolarHBondContact O-CG 3.37Å; K117-R121 PolarHBondContact O-N 2.98Å |
| 118 | A | 96.1 | Very high | 95.8 | Very high | 52 Ų | 52 | 109.3 Ų | 109.3 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.9 | -41.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H114 H115 V116 R121 Y122 | H114-A118 WeakPolarHBondContact O-CB 3.28Å; H114-A118 PolarHBondContact O-N 3.1Å; H115-A118 WeakPolarHBondContact O-CB 3.43Å; H115-A118 PolarHBondContact O-N 2.91Å; V116-A118 VanDerWaalsContact C-N 3.27Å; V116-A118 PolarHBondContact O-N 2.83Å; A118-R121 PolarHBondContact O-N 3.06Å; A118-Y122 WeakPolarHBondContact O-CB 3.41Å; A118-Y122 PolarHBondContact O-N 3.43Å |
| 119 | E | 96.4 | Very high | 96.1 | Very high | 97 Ų | 97 | 109.6 Ų | 109.6 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.1 | -88.3 | -149.7 | -129.2 | 0 | 0 | 112.5 | H115 V116 Y122 R123 | H115-E119 PolarHBondContact O-N 2.87Å; V116-E119 WeakPolarHBondContact O-CB 3.3Å; V116-E119 PolarHBondContact O-N 3.28Å; V116-E119 VanDerWaalsContact O-N 3.17Å; E119-Y122 PolarHBondContact O-N 3.35Å; E119-R123 WeakPolarHBondContact O-CB 3.39Å; E119-R123 WeakPolarHBondContact O-CD 3.42Å; E119-R123 WeakPolarHBondContact O-CG 3.47Å; E119-R123 PolarHBondContact O-N 3.16Å; E119-R123 IonicContact OE2-CZ 4Å; E119-R123 VanDerWaalsContact OE2-CZ 3.26Å; E119-R123 IonicContact OE2-NE 3.91Å; E119-R123 PolarHBondContact OE2-NE 2.85Å; E119-R123 VanDerWaalsContact OE2-NE 3.15Å; E119-R123 IonicContact OE2-NH2 3.65Å; E119-R123 PolarHBondContact OE2-NH2 3.13Å |
| 120 | E | 97 | Very high | 96.3 | Very high | 104 Ų | 104 | 110.7 Ų | 110.7 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -51 | 176 | -72.8 | -179.7 | 146.8 | 0 | 0 | 111.3 | V116 Y122 R123 E124 | V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.32Å; E120-Y122 VanDerWaalsContact C-N 3.29Å; E120-Y122 PolarHBondContact O-N 2.85Å; E120-R123 PolarHBondContact O-N 3.02Å; E120-R123 VanDerWaalsContact O-N 3.16Å; E120-E124 WeakPolarHBondContact O-CG 3.37Å; E120-E124 PolarHBondContact O-N 3.2Å |
| 121 | R | 97.4 | Very high | 96.5 | Very high | 179 Ų | 179 | 107.7 Ų | 107.7 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.7 | -40.8 | 174.7 | -69 | 167.1 | -174.6 | 178.7 | 1.8 | 112.3 | K117 A118 E124 A125 | K117-R121 WeakPolarHBondContact O-CD 3.2Å; K117-R121 VanDerWaalsContact O-CG 3.25Å; K117-R121 WeakPolarHBondContact O-CG 3.37Å; K117-R121 PolarHBondContact O-N 2.98Å; A118-R121 PolarHBondContact O-N 3.06Å; R121-E124 PolarHBondContact O-N 2.86Å; R121-A125 WeakPolarHBondContact O-CB 3.4Å; R121-A125 PolarHBondContact O-N 3.17Å |
| 122 | Y | 96.9 | Very high | 96.7 | Very high | 151 Ų | 151 | 107 Ų | 107 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -45.5 | 176.1 | 172.9 | -115.9 | 0 | 0 | 0 | 112.3 | A118 E119 E120 E124 A125 L126 | A118-Y122 WeakPolarHBondContact O-CB 3.41Å; A118-Y122 PolarHBondContact O-N 3.43Å; E119-Y122 PolarHBondContact O-N 3.35Å; E120-Y122 VanDerWaalsContact C-N 3.29Å; E120-Y122 PolarHBondContact O-N 2.85Å; Y122-E124 PolarHBondContact O-N 2.85Å; Y122-A125 PolarHBondContact O-N 3.11Å; Y122-L126 HydrophobicContact CD1-CD1 4.28Å; Y122-L126 HydrophobicContact CD2-CG 4.36Å; Y122-L126 HydrophobicContact CE1-CD1 3.71Å; Y122-L126 HydrophobicContact CE1-CG 4.47Å; Y122-L126 HydrophobicContact CE2-CD1 4.05Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 3.97Å; Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 2.83Å |
| 123 | R | 97.8 | Very high | 96.9 | Very high | 137 Ų | 137 | 106.6 Ų | 106.6 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -33 | 175.6 | -67.9 | 160 | -175.5 | -162.9 | 2.1 | 111.3 | E119 E120 K127 | E119-R123 WeakPolarHBondContact O-CB 3.39Å; E119-R123 WeakPolarHBondContact O-CD 3.42Å; E119-R123 WeakPolarHBondContact O-CG 3.47Å; E119-R123 PolarHBondContact O-N 3.16Å; E119-R123 IonicContact OE2-CZ 4Å; E119-R123 VanDerWaalsContact OE2-CZ 3.26Å; E119-R123 IonicContact OE2-NE 3.91Å; E119-R123 PolarHBondContact OE2-NE 2.85Å; E119-R123 VanDerWaalsContact OE2-NE 3.15Å; E119-R123 IonicContact OE2-NH2 3.65Å; E119-R123 PolarHBondContact OE2-NH2 3.13Å; E120-R123 PolarHBondContact O-N 3.02Å; E120-R123 VanDerWaalsContact O-N 3.16Å; R123-K127 WeakPolarHBondContact O-CG 3.41Å; R123-K127 PolarHBondContact O-N 3.49Å |
| 124 | E | 97.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 104.8 Ų | 104.8 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.2 | -49 | 173.9 | -70.4 | -174 | 149 | 0 | 0 | 112.7 | E120 R121 Y122 L126 K127 E128 | E120-E124 WeakPolarHBondContact O-CG 3.37Å; E120-E124 PolarHBondContact O-N 3.2Å; R121-E124 PolarHBondContact O-N 2.86Å; Y122-E124 PolarHBondContact O-N 2.85Å; E124-L126 PolarHBondContact O-N 2.9Å; E124-K127 WeakPolarHBondContact O-CA 3.42Å; E124-K127 WeakPolarHBondContact O-CB 3.34Å; E124-K127 PolarHBondContact O-N 2.88Å; E124-E128 PolarHBondContact O-N 3.19Å |
| 125 | A | 97.6 | Very high | 96.9 | Very high | 51 Ų | 51 | 104.2 Ų | 104.2 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.2 | -36.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R121 Y122 E128 L129 | R121-A125 WeakPolarHBondContact O-CB 3.4Å; R121-A125 PolarHBondContact O-N 3.17Å; Y122-A125 PolarHBondContact O-N 3.11Å; A125-E128 PolarHBondContact O-N 3.2Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 3.23Å |
| 126 | L | 97.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 102.1 Ų | 102.1 | 33% | 0.325 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -32.9 | 172.4 | -75.2 | -178.7 | 0 | 0 | 0 | 113.9 | Y122 E124 K130 | Y122-L126 HydrophobicContact CD1-CD1 4.28Å; Y122-L126 HydrophobicContact CD2-CG 4.36Å; Y122-L126 HydrophobicContact CE1-CD1 3.71Å; Y122-L126 HydrophobicContact CE1-CG 4.47Å; Y122-L126 HydrophobicContact CE2-CD1 4.05Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 3.97Å; Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 2.83Å; E124-L126 PolarHBondContact O-N 2.9Å; L126-K130 WeakPolarHBondContact O-CD 3.39Å; L126-K130 VanDerWaalsContact O-CG 3.25Å; L126-K130 WeakPolarHBondContact O-CG 3.25Å; L126-K130 PolarHBondContact O-N 3.02Å |
| 127 | K | 97.6 | Very high | 96.6 | Very high | 121 Ų | 121 | 102.7 Ų | 102.7 | 53% | 0.526 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.4 | -46.9 | 172.5 | -64.3 | 162.7 | -162 | 164.9 | 0 | 109.7 | R123 E124 K130 I131 | R123-K127 WeakPolarHBondContact O-CG 3.41Å; R123-K127 PolarHBondContact O-N 3.49Å; E124-K127 WeakPolarHBondContact O-CA 3.42Å; E124-K127 WeakPolarHBondContact O-CB 3.34Å; E124-K127 PolarHBondContact O-N 2.88Å; K127-K130 WeakPolarHBondContact O-CB 3.29Å; K127-K130 PolarHBondContact O-N 3Å; K127-I131 WeakPolarHBondContact O-CG1 3.4Å; K127-I131 PolarHBondContact O-N 2.95Å |
| 128 | E | 96.8 | Very high | 96.5 | Very high | 122 Ų | 122 | 105.1 Ų | 105.1 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 178.8 | -65 | -153.9 | 140.5 | 0 | 0 | 112.1 | E124 A125 K130 I131 Q132 | E124-E128 PolarHBondContact O-N 3.19Å; A125-E128 PolarHBondContact O-N 3.2Å; E128-K130 VanDerWaalsContact C-N 3.29Å; E128-K130 PolarHBondContact O-N 2.98Å; E128-I131 CarbonylContact O-C 3.53Å; E128-I131 WeakPolarHBondContact O-CA 3.4Å; E128-I131 WeakPolarHBondContact O-CB 3.45Å; E128-I131 PolarHBondContact O-N 3.08Å; E128-Q132 WeakPolarHBondContact O-CG 3.49Å; E128-Q132 PolarHBondContact O-N 3.48Å |
| 129 | L | 97 | Very high | 96.3 | Very high | 75 Ų | 75 | 111.5 Ų | 111.5 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | 177.7 | -176.9 | 154.1 | 0 | 0 | 0 | 112 | A125 K133 | A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 3.23Å; L129-K133 HydrophobicContact CD2-CD 3.88Å; L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 WeakPolarHBondContact O-CG 3.35Å; L129-K133 PolarHBondContact O-N 3.11Å |
| 130 | K | 97.5 | Very high | 96 | Very high | 143 Ų | 143 | 113.2 Ų | 113.2 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 171.3 | -74.3 | 169.3 | -176.4 | 176.7 | 0 | 111.5 | L126 K127 E128 K133 T134 | L126-K130 WeakPolarHBondContact O-CD 3.39Å; L126-K130 VanDerWaalsContact O-CG 3.25Å; L126-K130 WeakPolarHBondContact O-CG 3.25Å; L126-K130 PolarHBondContact O-N 3.02Å; K127-K130 WeakPolarHBondContact O-CB 3.29Å; K127-K130 PolarHBondContact O-N 3Å; E128-K130 VanDerWaalsContact C-N 3.29Å; E128-K130 PolarHBondContact O-N 2.98Å; K130-K133 PolarHBondContact O-N 3.36Å; K130-T134 PolarHBondContact O-N 3.26Å; K130-T134 PolarHBondContact O-OG1 3.27Å |
| 131 | I | 97.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 112.8 Ų | 112.8 | 41% | 0.41 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -34.8 | 178.1 | -67.8 | 163.9 | 0 | 0 | 0 | 111.9 | K127 E128 T134 K135 | K127-I131 WeakPolarHBondContact O-CG1 3.4Å; K127-I131 PolarHBondContact O-N 2.95Å; E128-I131 CarbonylContact O-C 3.53Å; E128-I131 WeakPolarHBondContact O-CA 3.4Å; E128-I131 WeakPolarHBondContact O-CB 3.45Å; E128-I131 PolarHBondContact O-N 3.08Å; I131-T134 PolarHBondContact O-OG1 2.87Å; I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 VanDerWaalsContact CG2-CE 3.45Å; I131-K135 WeakPolarHBondContact O-CB 3.26Å; I131-K135 WeakPolarHBondContact O-CD 3.29Å; I131-K135 WeakPolarHBondContact O-CG 3.46Å; I131-K135 PolarHBondContact O-N 2.84Å; I131-K135 VanDerWaalsContact O-N 3.11Å |
| 132 | Q | 95.8 | Very high | 95.7 | Very high | 104 Ų | 104 | 113.8 Ų | 113.8 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -49.4 | 173.4 | -70.2 | 173 | 16.6 | 0 | 0 | 110.1 | E128 T134 K135 E136 | E128-Q132 WeakPolarHBondContact O-CG 3.49Å; E128-Q132 PolarHBondContact O-N 3.48Å; Q132-T134 VanDerWaalsContact C-N 3.34Å; Q132-T134 PolarHBondContact O-N 3.49Å; Q132-K135 PolarHBondContact O-N 2.84Å; Q132-E136 WeakPolarHBondContact O-CG 3.25Å; Q132-E136 PolarHBondContact O-N 3.18Å |
| 133 | K | 97 | Very high | 95.5 | Very high | 120 Ų | 120 | 110.5 Ų | 110.5 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 177.2 | -74.7 | -178.4 | 179.2 | -179.4 | 0 | 113.6 | L129 K130 Q137 | L129-K133 HydrophobicContact CD2-CD 3.88Å; L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 WeakPolarHBondContact O-CG 3.35Å; L129-K133 PolarHBondContact O-N 3.11Å; K130-K133 PolarHBondContact O-N 3.36Å; K133-Q137 WeakPolarHBondContact O-CG 3.33Å; K133-Q137 PolarHBondContact O-N 3.05Å |
| 134 | T | 95 | Very high | 95.2 | Very high | 71 Ų | 71 | 108.3 Ų | 108.3 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69 | -47 | 173.5 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | K130 I131 Q132 E136 Q137 E138 | K130-T134 PolarHBondContact O-N 3.26Å; K130-T134 PolarHBondContact O-OG1 3.27Å; I131-T134 PolarHBondContact O-OG1 2.87Å; Q132-T134 VanDerWaalsContact C-N 3.34Å; Q132-T134 PolarHBondContact O-N 3.49Å; T134-E136 VanDerWaalsContact C-N 3.27Å; T134-E136 PolarHBondContact O-N 3.32Å; T134-Q137 PolarHBondContact O-N 3.4Å; T134-E138 WeakPolarHBondContact O-CG 3.42Å; T134-E138 PolarHBondContact O-N 2.94Å |
| 135 | K | 96.3 | Very high | 95 | Very high | 111 Ų | 111 | 107.1 Ų | 107.1 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.3 | -37.6 | 174.9 | -73 | 168.2 | -179.3 | 172.4 | 0 | 112.5 | I131 Q132 R139 | I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 VanDerWaalsContact CG2-CE 3.45Å; I131-K135 WeakPolarHBondContact O-CB 3.26Å; I131-K135 WeakPolarHBondContact O-CD 3.29Å; I131-K135 WeakPolarHBondContact O-CG 3.46Å; I131-K135 PolarHBondContact O-N 2.84Å; I131-K135 VanDerWaalsContact O-N 3.11Å; Q132-K135 PolarHBondContact O-N 2.84Å; K135-R139 WeakPolarHBondContact O-CB 3.45Å; K135-R139 WeakPolarHBondContact O-CD 3.31Å; K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.23Å |
| 136 | E | 94.6 | Very high | 94.9 | Very high | 92 Ų | 92 | 107.6 Ų | 107.6 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -47.2 | 175.1 | -74.8 | 172.9 | 171.7 | 0 | 0 | 112.4 | Q132 T134 E138 R139 Q140 | Q132-E136 WeakPolarHBondContact O-CG 3.25Å; Q132-E136 PolarHBondContact O-N 3.18Å; T134-E136 VanDerWaalsContact C-N 3.27Å; T134-E136 PolarHBondContact O-N 3.32Å; E136-E138 VanDerWaalsContact C-N 3.27Å; E136-E138 PolarHBondContact O-N 3.38Å; E136-R139 WeakPolarHBondContact O-CB 3.49Å; E136-R139 PolarHBondContact O-N 2.92Å; E136-Q140 WeakPolarHBondContact O-CG 3.28Å; E136-Q140 PolarHBondContact O-N 3.38Å |
| 137 | Q | 93.8 | Very high | 94.8 | Very high | 94 Ų | 94 | 113.4 Ų | 113.4 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 174.1 | -75.7 | -171.9 | 34.3 | 0 | 0 | 112.1 | K133 T134 K141 | K133-Q137 WeakPolarHBondContact O-CG 3.33Å; K133-Q137 PolarHBondContact O-N 3.05Å; T134-Q137 PolarHBondContact O-N 3.4Å; Q137-K141 VanDerWaalsContact O-CB 3.23Å; Q137-K141 WeakPolarHBondContact O-CB 3.36Å; Q137-K141 VanDerWaalsContact O-CD 3.32Å; Q137-K141 WeakPolarHBondContact O-CD 3.23Å; Q137-K141 WeakPolarHBondContact O-CG 3.36Å; Q137-K141 PolarHBondContact O-N 2.91Å |
| 138 | E | 94.3 | Very high | 94.7 | Very high | 130 Ų | 130 | 113.4 Ų | 113.4 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | 173.5 | -75.2 | 171.9 | -173.9 | 0 | 0 | 111.7 | T134 E136 Q140 K141 R142 | T134-E138 WeakPolarHBondContact O-CG 3.42Å; T134-E138 PolarHBondContact O-N 2.94Å; E136-E138 VanDerWaalsContact C-N 3.27Å; E136-E138 PolarHBondContact O-N 3.38Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; E138-Q140 PolarHBondContact O-N 3.13Å; E138-K141 PolarHBondContact O-N 3.02Å; E138-R142 WeakPolarHBondContact O-CB 3.48Å; E138-R142 PolarHBondContact O-N 3.32Å |
| 139 | R | 92.8 | Very high | 94.6 | Very high | 186 Ų | 186 | 114.5 Ų | 114.5 | 70% | 0.702 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56 | -46.9 | 174.4 | -74.4 | 163.9 | 176.9 | -172.5 | -2.3 | 111.5 | K135 E136 R142 | K135-R139 WeakPolarHBondContact O-CB 3.45Å; K135-R139 WeakPolarHBondContact O-CD 3.31Å; K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.23Å; E136-R139 WeakPolarHBondContact O-CB 3.49Å; E136-R139 PolarHBondContact O-N 2.92Å; R139-R142 WeakPolarHBondContact O-CB 3.47Å; R139-R142 PolarHBondContact O-N 3.45Å |
| 140 | Q | 90 | Very high | 94.5 | Very high | 133 Ų | 133 | 113.6 Ų | 113.6 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 176.2 | -69.8 | 172.4 | 2.6 | 0 | 0 | 112.1 | E136 E138 R142 S143 | E136-Q140 WeakPolarHBondContact O-CG 3.28Å; E136-Q140 PolarHBondContact O-N 3.38Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; E138-Q140 PolarHBondContact O-N 3.13Å; Q140-R142 VanDerWaalsContact C-N 3.28Å; Q140-R142 PolarHBondContact O-N 3.12Å; Q140-S143 PolarHBondContact O-OG 2.94Å |
| 141 | K | 94.1 | Very high | 94.4 | Very high | 95 Ų | 95 | 111.8 Ų | 111.8 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.1 | -19.9 | -179.4 | -68.4 | 164.5 | -165.7 | 172.3 | 0 | 112.7 | Q137 E138 S143 I144 N145 | Q137-K141 VanDerWaalsContact O-CB 3.23Å; Q137-K141 WeakPolarHBondContact O-CB 3.36Å; Q137-K141 VanDerWaalsContact O-CD 3.32Å; Q137-K141 WeakPolarHBondContact O-CD 3.23Å; Q137-K141 WeakPolarHBondContact O-CG 3.36Å; Q137-K141 PolarHBondContact O-N 2.91Å; E138-K141 PolarHBondContact O-N 3.02Å; K141-S143 PolarHBondContact O-N 2.86Å; K141-I144 PolarHBondContact O-N 2.93Å; K141-N145 VanDerWaalsContact O-CB 3.32Å; K141-N145 WeakPolarHBondContact O-CB 3.21Å; K141-N145 VanDerWaalsContact O-CG 3.25Å; K141-N145 PolarHBondContact O-N 3Å |
| 142 | R | 94.1 | Very high | 94.3 | Very high | 199 Ų | 199 | 113.6 Ų | 113.6 | 75% | 0.751 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.6 | -46 | -176.6 | -169.1 | 174.6 | -177.3 | 176.1 | 0.9 | 113 | E138 R139 Q140 A146 | E138-R142 WeakPolarHBondContact O-CB 3.48Å; E138-R142 PolarHBondContact O-N 3.32Å; R139-R142 WeakPolarHBondContact O-CB 3.47Å; R139-R142 PolarHBondContact O-N 3.45Å; Q140-R142 VanDerWaalsContact C-N 3.28Å; Q140-R142 PolarHBondContact O-N 3.12Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 2.94Å |
| 143 | S | 92 | Very high | 94.3 | Very high | 83 Ų | 83 | 111.4 Ų | 111.4 | 58% | 0.58 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.6 | -42.5 | 179 | 59.5 | 0 | 0 | 0 | 0 | 112 | Q140 K141 N145 A146 R147 | Q140-S143 PolarHBondContact O-OG 2.94Å; K141-S143 PolarHBondContact O-N 2.86Å; S143-N145 PolarHBondContact O-N 3.43Å; S143-A146 PolarHBondContact O-N 3.22Å; S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.31Å |
| 144 | I | 90.8 | Very high | 94.1 | Very high | 91 Ų | 91 | 110 Ų | 110 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.5 | -61.6 | 170.1 | 0 | 0 | 0 | 110.4 | K141 R147 K148 | K141-I144 PolarHBondContact O-N 2.93Å; I144-R147 PolarHBondContact O-N 2.98Å; I144-K148 HydrophobicContact CG2-CD 4.28Å; I144-K148 WeakPolarHBondContact O-CB 3.46Å; I144-K148 WeakPolarHBondContact O-CG 3.35Å; I144-K148 PolarHBondContact O-N 2.87Å |
| 145 | N | 94.4 | Very high | 94.1 | Very high | 87 Ų | 87 | 113.6 Ų | 113.6 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 179.9 | -70.5 | -12 | 0 | 0 | 0 | 112.1 | K141 S143 K148 K149 | K141-N145 VanDerWaalsContact O-CB 3.32Å; K141-N145 WeakPolarHBondContact O-CB 3.21Å; K141-N145 VanDerWaalsContact O-CG 3.25Å; K141-N145 PolarHBondContact O-N 3Å; S143-N145 PolarHBondContact O-N 3.43Å; N145-K148 PolarHBondContact O-N 2.59Å; N145-K149 WeakPolarHBondContact O-CB 3.38Å; N145-K149 PolarHBondContact O-N 3.04Å |
| 146 | A | 94.8 | Very high | 94 | Very high | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R142 S143 K149 A150 | R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 2.94Å; S143-A146 PolarHBondContact O-N 3.22Å; A146-K149 PolarHBondContact O-N 3.33Å; A146-A150 WeakPolarHBondContact O-CB 3.3Å; A146-A150 PolarHBondContact O-N 3.48Å |
| 147 | R | 94.5 | Very high | 94 | Very high | 185 Ų | 185 | 116.2 Ų | 116.2 | 70% | 0.698 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 174.7 | -175.4 | 178.3 | 177.9 | -173.7 | -0.2 | 112 | S143 I144 A150 L151 | S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.31Å; I144-R147 PolarHBondContact O-N 2.98Å; R147-A150 PolarHBondContact O-N 3.39Å; R147-L151 HydrophobicContact CG-CD1 4.04Å; R147-L151 HydrophobicContact CG-CG 4.48Å; R147-L151 WeakPolarHBondContact O-CB 3.37Å; R147-L151 VanDerWaalsContact O-CG 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.25Å; R147-L151 PolarHBondContact O-N 3.13Å |
| 148 | K | 95.6 | Very high | 93.8 | Very high | 120 Ų | 120 | 114.6 Ų | 114.6 | 52% | 0.522 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.5 | -76.9 | 174.4 | 178.6 | 179.3 | 0 | 111.6 | I144 N145 L151 Q152 | I144-K148 HydrophobicContact CG2-CD 4.28Å; I144-K148 WeakPolarHBondContact O-CB 3.46Å; I144-K148 WeakPolarHBondContact O-CG 3.35Å; I144-K148 PolarHBondContact O-N 2.87Å; N145-K148 PolarHBondContact O-N 2.59Å; K148-L151 PolarHBondContact O-N 3.25Å; K148-Q152 WeakPolarHBondContact O-CG 3.26Å; K148-Q152 PolarHBondContact O-N 3Å |
| 149 | K | 96.1 | Very high | 93.7 | Very high | 146 Ų | 146 | 111.6 Ų | 111.6 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 177.6 | -171 | 174.5 | -178.6 | 178.1 | 0 | 112.1 | N145 A146 Q152 T153 | N145-K149 WeakPolarHBondContact O-CB 3.38Å; N145-K149 PolarHBondContact O-N 3.04Å; A146-K149 PolarHBondContact O-N 3.33Å; K149-Q152 WeakPolarHBondContact O-CB 3.25Å; K149-Q152 PolarHBondContact O-N 2.9Å; K149-T153 PolarHBondContact O-N 3.3Å; K149-T153 PolarHBondContact O-OG1 2.89Å |
| 150 | A | 94.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 109.7 Ų | 109.7 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A146 R147 Q152 T153 E154 | A146-A150 WeakPolarHBondContact O-CB 3.3Å; A146-A150 PolarHBondContact O-N 3.48Å; R147-A150 PolarHBondContact O-N 3.39Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.27Å; A150-T153 WeakPolarHBondContact CA-OG1 3.25Å; A150-T153 PolarHBondContact O-N 3.21Å; A150-T153 PolarHBondContact O-OG1 3.45Å; A150-E154 WeakPolarHBondContact O-CB 3.42Å; A150-E154 PolarHBondContact O-N 3.48Å |
| 151 | L | 94.8 | Very high | 93.5 | Very high | 105 Ų | 105 | 107.9 Ų | 107.9 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -32.6 | 175.3 | -71.9 | 170 | 0 | 0 | 0 | 112.9 | R147 K148 K155 | R147-L151 HydrophobicContact CG-CD1 4.04Å; R147-L151 HydrophobicContact CG-CG 4.48Å; R147-L151 WeakPolarHBondContact O-CB 3.37Å; R147-L151 VanDerWaalsContact O-CG 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.25Å; R147-L151 PolarHBondContact O-N 3.13Å; K148-L151 PolarHBondContact O-N 3.25Å; L151-K155 VanDerWaalsContact O-CB 3.32Å; L151-K155 WeakPolarHBondContact O-CB 3.36Å; L151-K155 PolarHBondContact O-N 2.97Å |
| 152 | Q | 95.3 | Very high | 93 | Very high | 118 Ų | 118 | 107.4 Ų | 107.4 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -49.7 | 171.4 | -75.4 | 168.8 | -41.7 | 0 | 0 | 111 | K148 K149 A150 E154 K155 E156 | K148-Q152 WeakPolarHBondContact O-CG 3.26Å; K148-Q152 PolarHBondContact O-N 3Å; K149-Q152 WeakPolarHBondContact O-CB 3.25Å; K149-Q152 PolarHBondContact O-N 2.9Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.27Å; Q152-E154 VanDerWaalsContact C-N 3.25Å; Q152-E154 PolarHBondContact O-N 2.93Å; Q152-K155 WeakPolarHBondContact O-CB 3.4Å; Q152-K155 PolarHBondContact O-N 2.9Å; Q152-K155 VanDerWaalsContact O-N 3.11Å; Q152-E156 WeakPolarHBondContact O-CG 3.49Å; Q152-E156 PolarHBondContact O-N 3.49Å |
| 153 | T | 95.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 108.3 Ų | 108.3 | 36% | 0.362 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -32.2 | 176.3 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | K149 A150 E156 R157 | K149-T153 PolarHBondContact O-N 3.3Å; K149-T153 PolarHBondContact O-OG1 2.89Å; A150-T153 WeakPolarHBondContact CA-OG1 3.25Å; A150-T153 PolarHBondContact O-N 3.21Å; A150-T153 PolarHBondContact O-OG1 3.45Å; T153-E156 PolarHBondContact O-N 2.9Å; T153-R157 WeakPolarHBondContact O-CG 3.49Å; T153-R157 PolarHBondContact O-N 3.1Å |
| 154 | E | 91.9 | Very high | 92.3 | Very high | 90 Ų | 90 | 109.9 Ų | 109.9 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -76.7 | -31.2 | 175.3 | -158.3 | 55.3 | -132.9 | 0 | 0 | 112.4 | A150 Q152 R157 S158 | A150-E154 WeakPolarHBondContact O-CB 3.42Å; A150-E154 PolarHBondContact O-N 3.48Å; Q152-E154 VanDerWaalsContact C-N 3.25Å; Q152-E154 PolarHBondContact O-N 2.93Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-R157 WeakPolarHBondContact OE2-CD 3.33Å; E154-R157 IonicContact OE2-CZ 2.77Å; E154-R157 IonicContact OE2-NE 3.99Å; E154-R157 IonicContact OE2-NH1 2.72Å; E154-R157 PolarHBondContact OE2-NH1 3.22Å; E154-S158 WeakPolarHBondContact O-CB 3.48Å; E154-S158 PolarHBondContact O-N 2.71Å; E154-S158 PolarHBondContact O-OG 3.47Å |
| 155 | K | 95.4 | Very high | 91.9 | Very high | 147 Ų | 147 | 111 Ų | 111 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.5 | -36.9 | 168.5 | -171.8 | 174.9 | -179.6 | 179.6 | 0 | 111.9 | L151 Q152 R157 S158 T159 | L151-K155 VanDerWaalsContact O-CB 3.32Å; L151-K155 WeakPolarHBondContact O-CB 3.36Å; L151-K155 PolarHBondContact O-N 2.97Å; Q152-K155 WeakPolarHBondContact O-CB 3.4Å; Q152-K155 PolarHBondContact O-N 2.9Å; Q152-K155 VanDerWaalsContact O-N 3.11Å; K155-R157 VanDerWaalsContact C-N 3.32Å; K155-S158 PolarHBondContact O-OG 2.9Å; K155-T159 HydrophobicContact CG-CG2 4.47Å; K155-T159 WeakPolarHBondContact O-CB 3.42Å; K155-T159 VanDerWaalsContact O-CG2 3.27Å; K155-T159 WeakPolarHBondContact O-CG2 3.36Å; K155-T159 PolarHBondContact O-N 3.2Å; K155-T159 PolarHBondContact O-OG1 3.15Å |
| 156 | E | 94.9 | Very high | 91 | Very high | 111 Ų | 111 | 112.5 Ų | 112.5 | 52% | 0.519 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.5 | -27.5 | 173.3 | -72.1 | 168.7 | -151.9 | 0 | 0 | 113 | Q152 T153 T159 K160 | Q152-E156 WeakPolarHBondContact O-CG 3.49Å; Q152-E156 PolarHBondContact O-N 3.49Å; T153-E156 PolarHBondContact O-N 2.9Å; E156-T159 PolarHBondContact O-OG1 3.32Å; E156-K160 VanDerWaalsContact O-CD 3.26Å; E156-K160 WeakPolarHBondContact O-CD 3.15Å; E156-K160 WeakPolarHBondContact O-CE 3.45Å; E156-K160 VanDerWaalsContact O-CG 3.28Å; E156-K160 WeakPolarHBondContact O-CG 3.28Å |
| 157 | R | 94.7 | Very high | 90.1 | Very high | 147 Ų | 147 | 115 Ų | 115 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.6 | -52.5 | 170.5 | -74.2 | 162.5 | 171.2 | -179.5 | -3.9 | 111.3 | T153 E154 K155 T159 K160 V161 | T153-R157 WeakPolarHBondContact O-CG 3.49Å; T153-R157 PolarHBondContact O-N 3.1Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-R157 WeakPolarHBondContact OE2-CD 3.33Å; E154-R157 IonicContact OE2-CZ 2.77Å; E154-R157 IonicContact OE2-NE 3.99Å; E154-R157 IonicContact OE2-NH1 2.72Å; E154-R157 PolarHBondContact OE2-NH1 3.22Å; K155-R157 VanDerWaalsContact C-N 3.32Å; R157-T159 VanDerWaalsContact C-N 3.29Å; R157-T159 PolarHBondContact O-N 3.34Å; R157-K160 WeakPolarHBondContact O-CA 3.3Å; R157-K160 WeakPolarHBondContact O-CB 3.06Å; R157-K160 PolarHBondContact O-N 3.11Å; R157-V161 PolarHBondContact O-N 2.89Å |
| 158 | S | 88.4 | Confident | 89.2 | Confident | 60 Ų | 60 | 111.6 Ų | 111.6 | 42% | 0.42 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.5 | -31.9 | -177.8 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | E154 K155 K160 V161 A162 | E154-S158 WeakPolarHBondContact O-CB 3.48Å; E154-S158 PolarHBondContact O-N 2.71Å; E154-S158 PolarHBondContact O-OG 3.47Å; K155-S158 PolarHBondContact O-OG 2.9Å; S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.45Å; S158-V161 PolarHBondContact O-N 3.41Å; S158-A162 VanDerWaalsContact O-CB 3.25Å; S158-A162 WeakPolarHBondContact O-CB 3.43Å; S158-A162 PolarHBondContact O-N 2.99Å |
| 159 | T | 92 | Very high | 88.1 | Confident | 67 Ų | 67 | 111.8 Ų | 111.8 | 41% | 0.411 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -15.9 | 171 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | K155 E156 R157 R163 | K155-T159 HydrophobicContact CG-CG2 4.47Å; K155-T159 WeakPolarHBondContact O-CB 3.42Å; K155-T159 VanDerWaalsContact O-CG2 3.27Å; K155-T159 WeakPolarHBondContact O-CG2 3.36Å; K155-T159 PolarHBondContact O-N 3.2Å; K155-T159 PolarHBondContact O-OG1 3.15Å; E156-T159 PolarHBondContact O-OG1 3.32Å; R157-T159 VanDerWaalsContact C-N 3.29Å; R157-T159 PolarHBondContact O-N 3.34Å; T159-R163 WeakPolarHBondContact O-CD 3.35Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.2Å; T159-R163 PolarHBondContact O-NE 3.26Å |
| 160 | K | 91.4 | Very high | 86.4 | Confident | 145 Ų | 145 | 111.4 Ų | 111.4 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -83.1 | -40.7 | 166.8 | -68 | 165.5 | -172.8 | 171.5 | 0 | 111 | E156 R157 S158 R163 | E156-K160 VanDerWaalsContact O-CD 3.26Å; E156-K160 WeakPolarHBondContact O-CD 3.15Å; E156-K160 WeakPolarHBondContact O-CE 3.45Å; E156-K160 VanDerWaalsContact O-CG 3.28Å; E156-K160 WeakPolarHBondContact O-CG 3.28Å; R157-K160 WeakPolarHBondContact O-CA 3.3Å; R157-K160 WeakPolarHBondContact O-CB 3.06Å; R157-K160 PolarHBondContact O-N 3.11Å; S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.45Å; K160-R163 PolarHBondContact O-N 2.93Å |
| 161 | V | 87.4 | Confident | 85.1 | Confident | 95 Ų | 95 | 114.8 Ų | 114.8 | 58% | 0.576 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.4 | -42.8 | 176 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | R157 S158 R163 L164 | R157-V161 PolarHBondContact O-N 2.89Å; S158-V161 PolarHBondContact O-N 3.41Å; V161-R163 PolarHBondContact O-N 3.41Å; V161-R163 VanDerWaalsContact O-N 3.09Å; V161-L164 HydrophobicContact CG1-CD1 4.39Å; V161-L164 WeakPolarHBondContact O-CB 3.29Å; V161-L164 VanDerWaalsContact O-CG 3.28Å; V161-L164 WeakPolarHBondContact O-CG 3.47Å; V161-L164 PolarHBondContact O-N 2.83Å |
| 162 | A | 84.3 | Confident | 83.4 | Confident | 86 Ų | 86 | 116.8 Ų | 116.8 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 1.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S158 | S158-A162 VanDerWaalsContact O-CB 3.25Å; S158-A162 WeakPolarHBondContact O-CB 3.43Å; S158-A162 PolarHBondContact O-N 2.99Å |
| 163 | R | 86.4 | Confident | 81.7 | Confident | 217 Ų | 217 | 119.3 Ų | 119.3 | 82% | 0.819 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -3.2 | 167.7 | -70.2 | 171.7 | -179.3 | -153.8 | -1.5 | 112.7 | T159 K160 V161 | T159-R163 WeakPolarHBondContact O-CD 3.35Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.2Å; T159-R163 PolarHBondContact O-NE 3.26Å; K160-R163 PolarHBondContact O-N 2.93Å; V161-R163 PolarHBondContact O-N 3.41Å; V161-R163 VanDerWaalsContact O-N 3.09Å |
| 164 | L | 84.1 | Confident | 79.7 | Confident | 116 Ų | 116 | 124.8 Ų | 124.8 | 61% | 0.607 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -76 | 152.4 | 168 | -58 | 174.6 | 0 | 0 | 0 | 109.6 | V161 | V161-L164 HydrophobicContact CG1-CD1 4.39Å; V161-L164 WeakPolarHBondContact O-CB 3.29Å; V161-L164 VanDerWaalsContact O-CG 3.28Å; V161-L164 WeakPolarHBondContact O-CG 3.47Å; V161-L164 PolarHBondContact O-N 2.83Å |
| 165 | P | 82.1 | Confident | 78.2 | Confident | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 143.5 | 172.7 | 27 | -34.8 | 0 | 0 | 0 | 110.9 | ||
| 166 | P | 76.5 | Confident | 76.2 | Confident | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 144.2 | 179.5 | 28.1 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 167 | P | 75.1 | Confident | 74.6 | Confident | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 159 | 171.8 | 30.6 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 168 | P | 75.3 | Confident | 72.6 | Confident | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 148.6 | 172.9 | 28.2 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 169 | P | 72.8 | Confident | 71.1 | Confident | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 140.9 | -175.8 | 30.2 | -35.1 | 0 | 0 | 0 | 113.2 | ||
| 170 | D | 62.1 | Low | 69.4 | Low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -74 | 133.9 | 176 | -70.8 | -49.6 | 0 | 0 | 0 | 112 | I172 | D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.97Å |
| 171 | P | 66.1 | Low | 67.4 | Low | 126 Ų | 126 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -84.3 | 27.3 | -161.8 | 34.3 | -39.1 | 0 | 0 | 0 | 116.4 | ||
| 172 | I | 60.4 | Low | 65.8 | Low | 146 Ų | 146 | 147.4 Ų | 147.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -144.1 | 74.2 | -178.1 | -42.9 | 177.2 | 0 | 0 | 0 | 112.5 | D170 | D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.97Å | ||
| 173 | Q | 57.7 | Low | 64.2 | Low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -139.4 | 31.7 | 173.1 | -67.7 | -162.9 | 19.7 | 0 | 0 | 116 | I175 | Q173-I175 PolarHBondContact O-N 3.44Š| ||
| 174 | D | 54.5 | Low | 63 | Low | 174 Ų | 174 | 148.5 Ų | 148.5 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -88.3 | 70.3 | 164.4 | -75.6 | -43.6 | 0 | 0 | 0 | 111.2 | ||||
| 175 | I | 60.6 | Low | 61.6 | Low | 142 Ų | 142 | 154.2 Ų | 154.2 | 73% | 0.728 | 81% | 0.809 | S | S | * | * | trans | -137.9 | 109.6 | 171.2 | -54.9 | 179.9 | 0 | 0 | 0 | 109.7 | Q173 P177 | Q173-I175 PolarHBondContact O-N 3.44Å; I175-P177 WeakPolarHBondContact O-CD 3.49Å | ||
| 176 | D | 54 | Low | 60.4 | Low | 154 Ų | 154 | 153.7 Ų | 153.7 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -57.1 | 119.2 | 171.9 | -85.1 | -44.7 | 0 | 0 | 0 | 111.2 | R178 | D176-R178 PolarHBondContact O-N 3.18Š| ||
| 177 | P | 60.6 | Low | 59.7 | Low | 118 Ų | 118 | 154.5 Ų | 154.5 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -70.2 | 104.9 | 176.7 | 27.5 | -32.8 | 0 | 0 | 0 | 110 | I175 K179 | I175-P177 WeakPolarHBondContact O-CD 3.49Å; P177-K179 PolarHBondContact O-N 3.45Å | ||
| 178 | R | 53.2 | Low | 59.1 | Low | 243 Ų | 243 | 156.8 Ų | 156.8 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -51.1 | 125.5 | 174.9 | -73.5 | -176.2 | 173.7 | -173.6 | -1.6 | 110.5 | D176 S180 | D176-R178 PolarHBondContact O-N 3.18Å; R178-S180 PolarHBondContact O-N 3.15Å; R178-S180 VanDerWaalsContact O-N 3.12Å | ||
| 179 | K | 56.8 | Low | 58.4 | Low | 210 Ų | 210 | 158 Ų | 158 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -56.6 | 115.4 | 177.6 | -63.5 | 176.4 | -177 | 174.6 | 0 | 110 | P177 | P177-K179 PolarHBondContact O-N 3.45Š| ||
| 180 | S | 56 | Low | 57.7 | Low | 112 Ų | 112 | 155.8 Ų | 155.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 140.7 | 174.9 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | R178 M182 | R178-S180 PolarHBondContact O-N 3.15Å; R178-S180 VanDerWaalsContact O-N 3.12Å; S180-M182 PolarHBondContact O-N 3.31Å | ||
| 181 | H | 49.8 | Very low | 57.3 | Low | 180 Ų | 180 | 156.7 Ų | 156.7 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | -74.3 | 112.4 | -171.9 | -149.8 | -54.5 | 0 | 0 | 0 | 110.3 | V183 | H181-V183 PolarHBondContact O-N 3.34Å; H181-V183 VanDerWaalsContact O-N 3.14Å | ||
| 182 | M | 53.5 | Low | 56.9 | Low | 177 Ų | 177 | 153.6 Ų | 153.6 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -65.3 | 115.2 | 169.7 | -84.3 | 180 | 61.8 | 0 | 0 | 109.4 | S180 | S180-M182 PolarHBondContact O-N 3.31Š| ||
| 183 | V | 51.5 | Low | 56.8 | Low | 126 Ų | 126 | 151.2 Ų | 151.2 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 123.8 | 169 | 177.9 | 0 | 0 | 0 | 0 | 108 | H181 R185 | H181-V183 PolarHBondContact O-N 3.34Å; H181-V183 VanDerWaalsContact O-N 3.14Å; V183-R185 PolarHBondContact O-N 2.89Å |
| 184 | K | 60.5 | Low | 56.9 | Low | 201 Ų | 201 | 147.4 Ų | 147.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 125.3 | 169.8 | -69.8 | -176.2 | 176.6 | -176 | 0 | 108.6 | ||
| 185 | R | 55.4 | Low | 56.8 | Low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72 | 142.4 | 164.7 | -69.4 | -177.3 | 173.4 | -176.4 | -3.7 | 108.3 | V183 | V183-R185 PolarHBondContact O-N 2.89Š|
| 186 | S | 55.6 | Low | 56.4 | Low | 104 Ų | 104 | 150.9 Ų | 150.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 147.8 | 177.5 | 38.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 187 | D | 62.8 | Low | 56.5 | Low | 136 Ų | 136 | 149.3 Ų | 149.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 133.4 | -176.9 | -60.7 | -68 | 0 | 0 | 0 | 111.9 | N189 A190 | D187-N189 PolarHBondContact O-N 2.9Å; D187-N189 VanDerWaalsContact O-N 3.12Å; D187-A190 WeakPolarHBondContact O-CB 3.44Å; D187-A190 PolarHBondContact O-N 3.08Å |
| 188 | L | 62.1 | Low | 56.2 | Low | 160 Ų | 160 | 151.2 Ų | 151.2 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -62.1 | -23.6 | -173 | -66.6 | 168 | 0 | 0 | 0 | 113.4 | A190 | L188-A190 PolarHBondContact O-N 3.4Š|
| 189 | N | 59.8 | Low | 56 | Low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -70.4 | -10.6 | -179.9 | -70.9 | 10.9 | 0 | 0 | 0 | 114 | D187 F191 A192 | D187-N189 PolarHBondContact O-N 2.9Å; D187-N189 VanDerWaalsContact O-N 3.12Å; N189-F191 PolarHBondContact O-N 2.98Å; N189-A192 WeakPolarHBondContact O-CB 3.29Å; N189-A192 PolarHBondContact O-N 3.08Å; N189-A192 VanDerWaalsContact O-N 3.15Å |
| 190 | A | 58.5 | Low | 55.7 | Low | 78 Ų | 78 | 144 Ų | 144 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -61.4 | -16.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D187 L188 | D187-A190 WeakPolarHBondContact O-CB 3.44Å; D187-A190 PolarHBondContact O-N 3.08Å; L188-A190 PolarHBondContact O-N 3.4Å |
| 191 | F | 53.7 | Low | 55.4 | Low | 157 Ų | 157 | 143.1 Ų | 143.1 | 69% | 0.689 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -96.3 | -7.2 | 179.6 | -67.8 | -81.3 | 0 | 0 | 0 | 114.6 | N189 A193 | N189-F191 PolarHBondContact O-N 2.98Å; F191-A193 PolarHBondContact O-N 3.22Å |
| 192 | A | 58.2 | Low | 55.2 | Low | 61 Ų | 61 | 139.3 Ų | 139.3 | 50% | 0.504 | 75% | 0.748 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | 4.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N189 H197 | N189-A192 WeakPolarHBondContact O-CB 3.29Å; N189-A192 PolarHBondContact O-N 3.08Å; N189-A192 VanDerWaalsContact O-N 3.15Å; A192-H197 PolarHBondContact O-CD2 3.12Å |
| 193 | A | 57.2 | Low | 54.7 | Low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | 42.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F191 | F191-A193 PolarHBondContact O-N 3.22Š|
| 194 | T | 60.3 | Low | 54.3 | Low | 91 Ų | 91 | 138.9 Ų | 138.9 | 56% | 0.558 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -113.1 | 153.2 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 112 | Y196 H197 | T194-Y196 PolarHBondContact O-N 3.43Å; T194-H197 PolarHBondContact O-N 3.02Å; T194-H197 VanDerWaalsContact O-N 3.15Å |
| 195 | H | 53.2 | Low | 54.1 | Low | 177 Ų | 177 | 137.7 Ų | 137.7 | 82% | 0.819 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 2.9 | -163.4 | -162.7 | -68.5 | 0 | 0 | 0 | 116.2 | ||
| 196 | Y | 52.5 | Low | 53.9 | Low | 213 Ų | 213 | 135.9 Ų | 135.9 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 21.2 | 178.3 | -66.5 | -73.5 | 0 | 0 | 0 | 113.5 | T194 M198 | T194-Y196 PolarHBondContact O-N 3.43Å; Y196-M198 PolarHBondContact O-N 2.81Å; Y196-M198 VanDerWaalsContact O-N 3.15Å |
| 197 | H | 55.1 | Low | 53.6 | Low | 120 Ų | 120 | 135 Ų | 135 | 56% | 0.556 | 73% | 0.725 | S | S | * | * | trans | -67.2 | 110.1 | 162.4 | -102.5 | -76.8 | 0 | 0 | 0 | 110.4 | A192 T194 | A192-H197 PolarHBondContact O-CD2 3.12Å; T194-H197 PolarHBondContact O-N 3.02Å; T194-H197 VanDerWaalsContact O-N 3.15Å | ||
| 198 | M | 53.9 | Low | 53.3 | Low | 158 Ų | 158 | 134.9 Ų | 134.9 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | trans | -53.7 | 129.8 | 156.3 | -75.2 | -70.8 | -73.3 | 0 | 0 | 108.1 | Y196 E200 | Y196-M198 PolarHBondContact O-N 2.81Å; Y196-M198 VanDerWaalsContact O-N 3.15Å; M198-E200 PolarHBondContact O-N 3.14Å | ||
| 199 | P | 49.6 | Very low | 53.1 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | trans | -72.5 | 98.2 | 179 | 28.3 | -33.1 | 0 | 0 | 0 | 109.7 | S201 | P199-S201 PolarHBondContact O-N 2.98Š| ||
| 200 | E | 50.5 | Low | 53.1 | Low | 198 Ų | 198 | 127 Ų | 127 | 93% | 0.925 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 63.3 | 169.2 | -73.2 | -165.6 | 165.3 | 0 | 0 | 111.5 | M198 | M198-E200 PolarHBondContact O-N 3.14Š|
| 201 | S | 49.9 | Very low | 53.1 | Low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.2 | 43.4 | 154.7 | 57.6 | 0 | 0 | 0 | 0 | 112 | P199 V203 | P199-S201 PolarHBondContact O-N 2.98Å; S201-V203 PolarHBondContact O-N 2.86Å |
| 202 | A | 44.7 | Very low | 53.4 | Low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | trans | -65.9 | 50.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E204 | A202-E204 PolarHBondContact O-N 3.22Š| ||
| 203 | V | 44.6 | Very low | 53.9 | Low | 108 Ų | 108 | 128.1 Ų | 128.1 | 66% | 0.655 | 68% | 0.678 | S | S | * | * | trans | -71.6 | 108.1 | 161.4 | 172.7 | 0 | 0 | 0 | 0 | 104.2 | S201 K205 | S201-V203 PolarHBondContact O-N 2.86Å; V203-K205 PolarHBondContact O-N 2.82Å | ||
| 204 | E | 41.8 | Very low | 54.5 | Low | 186 Ų | 186 | 129.8 Ų | 129.8 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | trans | -56.9 | 91.1 | 159.8 | -66.5 | 177.5 | 166.6 | 0 | 0 | 107.1 | A202 E206 | A202-E204 PolarHBondContact O-N 3.22Å; E204-E206 PolarHBondContact O-N 3.38Å | ||
| 205 | K | 56.9 | Low | 55.2 | Low | 176 Ų | 176 | 130.6 Ų | 130.6 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | trans | -56.8 | 125.7 | 154 | -67 | -179.2 | -179.6 | 178.4 | 0 | 104.6 | V203 L207 | V203-K205 PolarHBondContact O-N 2.82Å; K205-L207 PolarHBondContact O-N 2.67Å | ||
| 206 | E | 50.1 | Low | 56.4 | Low | 196 Ų | 196 | 126.8 Ų | 126.8 | 92% | 0.916 | 66% | 0.655 | S | S | * | * | trans | -59.4 | 92.8 | 172.4 | -67.3 | -177.7 | 138.5 | 0 | 0 | 108.1 | E204 E208 | E204-E206 PolarHBondContact O-N 3.38Å; E206-E208 PolarHBondContact O-N 2.86Å | ||
| 207 | L | 51.3 | Low | 57.5 | Low | 85 Ų | 85 | 122.1 Ų | 122.1 | 45% | 0.445 | 64% | 0.643 | S | S | . | * | trans | -61.4 | 125.1 | 170.8 | -75.3 | 171.6 | 0 | 0 | 0 | 106 | K205 A209 V212 L215 | K205-L207 PolarHBondContact O-N 2.67Å; L207-A209 PolarHBondContact O-N 3.31Å; L207-V212 HydrophobicContact CB-CG2 3.42Å; L207-V212 VanDerWaalsContact CB-CG2 3.42Å; L207-V212 HydrophobicContact CD1-CG2 4.27Å; L207-V212 HydrophobicContact CG-CG2 4.5Å; L207-V212 WeakPolarHBondContact O-CG2 3.33Å; L207-L215 HydrophobicContact CD1-CD1 4.15Å | ||
| 208 | E | 55.5 | Low | 58.6 | Low | 135 Ų | 135 | 120.8 Ų | 120.8 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | trans | -49.9 | 136.5 | 177.6 | -62.2 | 177.5 | 137.7 | 0 | 0 | 109.2 | E206 A210 Q211 V212 | E206-E208 PolarHBondContact O-N 2.86Å; E208-A210 CarbonylContact O-C 3.56Å; E208-A210 PolarHBondContact O-N 3.39Å; E208-Q211 HydrophobicContact CB-CG 4.46Å; E208-Q211 PolarHBondContact O-N 3.27Å; E208-Q211 PolarHBondContact OE2-NE2 3.27Å; E208-V212 PolarHBondContact O-N 3.12Å | ||
| 209 | A | 57.9 | Low | 59.8 | Low | 70 Ų | 70 | 118.5 Ų | 118.5 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.4 | -9.7 | -165 | 0 | 0 | 0 | 0 | 0 | 115.3 | L207 R213 | L207-A209 PolarHBondContact O-N 3.31Å; A209-R213 VanDerWaalsContact O-CD 3.23Å; A209-R213 WeakPolarHBondContact O-CD 3.5Å; A209-R213 VanDerWaalsContact O-CG 3.24Å; A209-R213 WeakPolarHBondContact O-CG 3.49Å |
| 210 | A | 59.2 | Low | 61.2 | Low | 63 Ų | 63 | 116.8 Ų | 116.8 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74 | -49.2 | 166 | 0 | 0 | 0 | 0 | 0 | 112.8 | E208 V212 R213 E214 | E208-A210 CarbonylContact O-C 3.56Å; E208-A210 PolarHBondContact O-N 3.39Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 3.32Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 2.97Å; A210-E214 PolarHBondContact O-N 2.91Å |
| 211 | Q | 58 | Low | 62.5 | Low | 83 Ų | 83 | 113.2 Ų | 113.2 | 39% | 0.388 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.9 | -37.1 | -175.8 | -55.6 | -178.8 | 30.3 | 0 | 0 | 111.8 | E208 R213 E214 L215 | E208-Q211 HydrophobicContact CB-CG 4.46Å; E208-Q211 PolarHBondContact O-N 3.27Å; E208-Q211 PolarHBondContact OE2-NE2 3.27Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 3.07Å; Q211-E214 PolarHBondContact O-N 3.42Å; Q211-L215 WeakPolarHBondContact O-CG 3.16Å; Q211-L215 PolarHBondContact O-N 2.96Å; Q211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | V | 60.4 | Low | 63.9 | Low | 60 Ų | 60 | 112.3 Ų | 112.3 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60 | -42.1 | 172 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | L207 E208 A210 L215 L216 | L207-V212 HydrophobicContact CB-CG2 3.42Å; L207-V212 VanDerWaalsContact CB-CG2 3.42Å; L207-V212 HydrophobicContact CD1-CG2 4.27Å; L207-V212 HydrophobicContact CG-CG2 4.5Å; L207-V212 WeakPolarHBondContact O-CG2 3.33Å; E208-V212 PolarHBondContact O-N 3.12Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 3.32Å; V212-L215 PolarHBondContact O-N 3.25Å; V212-L216 HydrophobicContact CG1-CD1 4.31Å; V212-L216 WeakPolarHBondContact O-CB 3.32Å; V212-L216 PolarHBondContact O-N 2.93Å |
| 213 | R | 68.6 | Low | 65.4 | Low | 176 Ų | 176 | 112.6 Ų | 112.6 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.7 | -38.6 | -179.1 | -71.9 | 170.9 | -179.9 | -177.8 | -0.9 | 112 | A209 A210 Q211 L216 L217 | A209-R213 VanDerWaalsContact O-CD 3.23Å; A209-R213 WeakPolarHBondContact O-CD 3.5Å; A209-R213 VanDerWaalsContact O-CG 3.24Å; A209-R213 WeakPolarHBondContact O-CG 3.49Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 2.97Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 3.07Å; R213-L216 PolarHBondContact O-N 3.32Å; R213-L217 WeakPolarHBondContact O-CB 3.37Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.04Å |
| 214 | E | 71.3 | Confident | 66.7 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -44.4 | 174.7 | -69.9 | -175.6 | 177.2 | 0 | 0 | 111.8 | A210 Q211 L216 L217 V218 | A210-E214 PolarHBondContact O-N 2.91Å; Q211-E214 PolarHBondContact O-N 3.42Å; E214-L216 PolarHBondContact O-N 3.09Å; E214-L217 PolarHBondContact O-N 3.12Å; E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 3.33Å |
| 215 | L | 74.3 | Confident | 68.3 | Low | 108 Ų | 108 | 106.8 Ų | 106.8 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -37.9 | 176 | -69.9 | 172.8 | 0 | 0 | 0 | 112.6 | L207 Q211 V212 L219 | L207-L215 HydrophobicContact CD1-CD1 4.15Å; Q211-L215 WeakPolarHBondContact O-CG 3.16Å; Q211-L215 PolarHBondContact O-N 2.96Å; Q211-L215 VanDerWaalsContact O-N 3.08Å; V212-L215 PolarHBondContact O-N 3.25Å; L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 PolarHBondContact O-N 3.03Å |
| 216 | L | 77.6 | Confident | 69.1 | Low | 98 Ų | 98 | 102.3 Ų | 102.3 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 172.1 | -107 | 161.9 | 0 | 0 | 0 | 112 | V212 R213 E214 L219 V220 | V212-L216 HydrophobicContact CG1-CD1 4.31Å; V212-L216 WeakPolarHBondContact O-CB 3.32Å; V212-L216 PolarHBondContact O-N 2.93Å; R213-L216 PolarHBondContact O-N 3.32Å; E214-L216 PolarHBondContact O-N 3.09Å; L216-L219 PolarHBondContact O-N 3.37Å; L216-V220 HydrophobicContact CD2-CG2 4.49Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 VanDerWaalsContact O-CG2 3.25Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 2.89Å |
| 217 | L | 77.3 | Confident | 70.1 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 175.6 | -81.8 | 164.6 | 0 | 0 | 0 | 111.5 | R213 E214 V220 L221 | R213-L217 WeakPolarHBondContact O-CB 3.37Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.04Å; E214-L217 PolarHBondContact O-N 3.12Å; L217-V220 PolarHBondContact O-N 3.06Å; L217-L221 WeakPolarHBondContact O-CB 3.38Å; L217-L221 PolarHBondContact O-N 2.94Å |
| 218 | V | 77.4 | Confident | 71.1 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | E214 V220 L221 V222 | E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 3.33Å; V218-V220 PolarHBondContact O-N 2.98Å; V218-L221 PolarHBondContact O-N 3.03Å; V218-V222 WeakPolarHBondContact O-CG2 3.42Å; V218-V222 PolarHBondContact O-N 3.14Å |
| 219 | L | 79.6 | Confident | 72.1 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 177.8 | -176.5 | 63.7 | 0 | 0 | 0 | 111.8 | L215 L216 V222 L223 | L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 PolarHBondContact O-N 3.03Å; L216-L219 PolarHBondContact O-N 3.37Å; L219-V222 PolarHBondContact O-N 3.41Å; L219-L223 PolarHBondContact O-N 2.97Å |
| 220 | V | 78 | Confident | 73 | Confident | 68 Ų | 68 | 97.2 Ų | 97.2 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 174.8 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | L216 L217 V218 V222 L223 M224 | L216-V220 HydrophobicContact CD2-CG2 4.49Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 VanDerWaalsContact O-CG2 3.25Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 2.89Å; L217-V220 PolarHBondContact O-N 3.06Å; V218-V220 PolarHBondContact O-N 2.98Å; V220-V222 VanDerWaalsContact C-N 3.32Å; V220-V222 PolarHBondContact O-N 3.45Å; V220-L223 PolarHBondContact O-N 2.93Å; V220-M224 HydrophobicContact CG1-CG 4.35Å; V220-M224 HydrophobicContact CG1-SD 4.01Å; V220-M224 WeakPolarHBondContact O-CB 3.21Å; V220-M224 WeakPolarHBondContact O-CG 3.31Å; V220-M224 PolarHBondContact O-N 3.3Å |
| 221 | L | 78.8 | Confident | 73.1 | Confident | 123 Ų | 123 | 102.9 Ų | 102.9 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -42.3 | 175.2 | -125.9 | 93.9 | 0 | 0 | 0 | 111.7 | L217 V218 S225 | L217-L221 WeakPolarHBondContact O-CB 3.38Å; L217-L221 PolarHBondContact O-N 2.94Å; V218-L221 PolarHBondContact O-N 3.03Å; L221-S225 VanDerWaalsContact O-CB 3.29Å; L221-S225 WeakPolarHBondContact O-CB 3.3Å; L221-S225 PolarHBondContact O-N 2.67Å |
| 222 | V | 78.4 | Confident | 73.6 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 176.7 | 169 | 0 | 0 | 0 | 0 | 110.3 | V218 L219 V220 S225 V226 | V218-V222 WeakPolarHBondContact O-CG2 3.42Å; V218-V222 PolarHBondContact O-N 3.14Å; L219-V222 PolarHBondContact O-N 3.41Å; V220-V222 VanDerWaalsContact C-N 3.32Å; V220-V222 PolarHBondContact O-N 3.45Å; V222-S225 PolarHBondContact O-N 3.17Å; V222-S225 VanDerWaalsContact O-N 3.15Å; V222-S225 PolarHBondContact O-OG 2.84Å; V222-V226 WeakPolarHBondContact O-CG2 3.41Å; V222-V226 PolarHBondContact O-N 3.42Å |
| 223 | L | 76.4 | Confident | 74 | Confident | 106 Ų | 106 | 102.9 Ų | 102.9 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57 | -54.4 | 176.6 | -135.8 | 74.8 | 0 | 0 | 0 | 111 | L219 V220 S225 V226 D227 | L219-L223 PolarHBondContact O-N 2.97Å; V220-L223 PolarHBondContact O-N 2.93Å; L223-S225 PolarHBondContact O-N 3.22Å; L223-S225 VanDerWaalsContact O-N 3.17Å; L223-V226 WeakPolarHBondContact O-CA 3.29Å; L223-V226 WeakPolarHBondContact O-CB 3.46Å; L223-V226 PolarHBondContact O-N 3.45Å; L223-D227 VanDerWaalsContact O-CG 3.31Å; L223-D227 PolarHBondContact O-N 3.14Å |
| 224 | M | 72.3 | Confident | 74.3 | Confident | 126 Ų | 126 | 99.2 Ų | 99.2 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.8 | -33.4 | 176.8 | -67.9 | -178.2 | 78.6 | 0 | 0 | 112.5 | V220 S228 | V220-M224 HydrophobicContact CG1-CG 4.35Å; V220-M224 HydrophobicContact CG1-SD 4.01Å; V220-M224 WeakPolarHBondContact O-CB 3.21Å; V220-M224 WeakPolarHBondContact O-CG 3.31Å; V220-M224 PolarHBondContact O-N 3.3Å; M224-S228 WeakPolarHBondContact O-CB 3.49Å; M224-S228 PolarHBondContact O-N 3.05Å |
| 225 | S | 74.2 | Confident | 74.2 | Confident | 47 Ų | 47 | 98.2 Ų | 98.2 | 33% | 0.329 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76 | -19 | 176.3 | 86.2 | 0 | 0 | 0 | 0 | 114.6 | L221 V222 L223 K229 | L221-S225 VanDerWaalsContact O-CB 3.29Å; L221-S225 WeakPolarHBondContact O-CB 3.3Å; L221-S225 PolarHBondContact O-N 2.67Å; V222-S225 PolarHBondContact O-N 3.17Å; V222-S225 VanDerWaalsContact O-N 3.15Å; V222-S225 PolarHBondContact O-OG 2.84Å; L223-S225 PolarHBondContact O-N 3.22Å; L223-S225 VanDerWaalsContact O-N 3.17Å; S225-K229 WeakPolarHBondContact O-CD 3.4Å; S225-K229 WeakPolarHBondContact O-CE 3.34Å; S225-K229 VanDerWaalsContact O-CG 3.31Å; S225-K229 WeakPolarHBondContact O-CG 3.39Å; S225-K229 PolarHBondContact O-NZ 2.9Å; S225-K229 VanDerWaalsContact O-NZ 3.14Å |
| 226 | V | 75.4 | Confident | 74.3 | Confident | 81 Ų | 81 | 96 Ų | 96 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -87 | -47.7 | 173.1 | 170.4 | 0 | 0 | 0 | 0 | 109 | V222 L223 S228 K229 L230 | V222-V226 WeakPolarHBondContact O-CG2 3.41Å; V222-V226 PolarHBondContact O-N 3.42Å; L223-V226 WeakPolarHBondContact O-CA 3.29Å; L223-V226 WeakPolarHBondContact O-CB 3.46Å; L223-V226 PolarHBondContact O-N 3.45Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.9Å; V226-K229 WeakPolarHBondContact O-CB 3.49Å; V226-K229 PolarHBondContact O-N 3.44Å; V226-K229 VanDerWaalsContact O-N 3.07Å; V226-L230 PolarHBondContact O-N 2.92Å |
| 227 | D | 70 | Confident | 74.1 | Confident | 68 Ų | 68 | 95.9 Ų | 95.9 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 175.5 | -62.2 | -29.5 | 0 | 0 | 0 | 110.9 | L223 K229 L230 W231 | L223-D227 VanDerWaalsContact O-CG 3.31Å; L223-D227 PolarHBondContact O-N 3.14Å; D227-K229 PolarHBondContact O-N 3.44Å; D227-L230 WeakPolarHBondContact O-CB 3.4Å; D227-L230 PolarHBondContact O-N 3.07Å; D227-L230 VanDerWaalsContact O-N 3.09Å; D227-W231 PolarHBondContact O-N 3.44Å |
| 228 | S | 71.7 | Confident | 74.3 | Confident | 70 Ų | 70 | 93.2 Ų | 93.2 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57 | -36.3 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 112.9 | M224 V226 S232 | M224-S228 WeakPolarHBondContact O-CB 3.49Å; M224-S228 PolarHBondContact O-N 3.05Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.9Å; S228-S232 WeakPolarHBondContact O-CB 3.45Å; S228-S232 PolarHBondContact O-N 3.39Å; S228-S232 PolarHBondContact O-OG 3.29Å |
| 229 | K | 76.6 | Confident | 74.4 | Confident | 135 Ų | 135 | 96.1 Ų | 96.1 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.5 | -41.3 | 175.2 | -69.5 | 165.2 | -167.1 | 142.9 | 0 | 111.5 | S225 V226 D227 S232 S233 | S225-K229 WeakPolarHBondContact O-CD 3.4Å; S225-K229 WeakPolarHBondContact O-CE 3.34Å; S225-K229 VanDerWaalsContact O-CG 3.31Å; S225-K229 WeakPolarHBondContact O-CG 3.39Å; S225-K229 PolarHBondContact O-NZ 2.9Å; S225-K229 VanDerWaalsContact O-NZ 3.14Å; V226-K229 WeakPolarHBondContact O-CB 3.49Å; V226-K229 PolarHBondContact O-N 3.44Å; V226-K229 VanDerWaalsContact O-N 3.07Å; D227-K229 PolarHBondContact O-N 3.44Å; K229-S232 WeakPolarHBondContact O-CB 3.25Å; K229-S232 PolarHBondContact O-N 2.87Å; K229-S233 PolarHBondContact O-N 3.04Å; K229-S233 PolarHBondContact O-OG 3.32Å; K229-S233 VanDerWaalsContact O-OG 3.1Å |
| 230 | L | 76.7 | Confident | 74.7 | Confident | 107 Ų | 107 | 95.7 Ų | 95.7 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 176.7 | -173.9 | 65 | 0 | 0 | 0 | 111.3 | V226 D227 S232 S233 L234 | V226-L230 PolarHBondContact O-N 2.92Å; D227-L230 WeakPolarHBondContact O-CB 3.4Å; D227-L230 PolarHBondContact O-N 3.07Å; D227-L230 VanDerWaalsContact O-N 3.09Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 2.91Å; L230-S233 WeakPolarHBondContact CA-OG 3.44Å; L230-S233 PolarHBondContact O-N 3.05Å; L230-S233 PolarHBondContact O-OG 3Å; L230-L234 PolarHBondContact O-N 2.94Å |
| 231 | W | 61.7 | Low | 75.1 | Confident | 182 Ų | 182 | 98.8 Ų | 98.8 | 69% | 0.689 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 172.5 | -76.6 | 111 | 0 | 0 | 0 | 112.4 | D227 S233 L234 Q235 | D227-W231 PolarHBondContact O-N 3.44Å; W231-S233 VanDerWaalsContact C-N 3.31Å; W231-S233 PolarHBondContact O-N 3.29Å; W231-L234 PolarHBondContact O-N 3.05Å; W231-Q235 PolarHBondContact O-N 3.34Å; W231-Q235 VanDerWaalsContact O-N 3.15Å |
| 232 | S | 68.3 | Low | 75.2 | Confident | 76 Ų | 76 | 95.2 Ų | 95.2 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 176.1 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | S228 K229 L230 P236 | S228-S232 WeakPolarHBondContact O-CB 3.45Å; S228-S232 PolarHBondContact O-N 3.39Å; S228-S232 PolarHBondContact O-OG 3.29Å; K229-S232 WeakPolarHBondContact O-CB 3.25Å; K229-S232 PolarHBondContact O-N 2.87Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 2.91Å; S232-P236 WeakPolarHBondContact O-CD 3.27Å |
| 233 | S | 69.2 | Low | 75.7 | Confident | 66 Ų | 66 | 94.9 Ų | 94.9 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.7 | -28.6 | 174.5 | 47.5 | 0 | 0 | 0 | 0 | 114 | K229 L230 W231 P236 | K229-S233 PolarHBondContact O-N 3.04Å; K229-S233 PolarHBondContact O-OG 3.32Å; K229-S233 VanDerWaalsContact O-OG 3.1Å; L230-S233 WeakPolarHBondContact CA-OG 3.44Å; L230-S233 PolarHBondContact O-N 3.05Å; L230-S233 PolarHBondContact O-OG 3Å; W231-S233 VanDerWaalsContact C-N 3.31Å; W231-S233 PolarHBondContact O-N 3.29Å; S233-P236 VanDerWaalsContact O-CD 3.31Å; S233-P236 WeakPolarHBondContact O-CD 3.45Å; S233-P236 WeakPolarHBondContact O-CG 3.46Å |
| 234 | L | 74.8 | Confident | 76.4 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.5 | -29.1 | -179.8 | -152.4 | 74.4 | 0 | 0 | 0 | 112.6 | L230 W231 D237 A238 | L230-L234 PolarHBondContact O-N 2.94Å; W231-L234 PolarHBondContact O-N 3.05Å; L234-D237 PolarHBondContact O-N 2.99Å; L234-A238 PolarHBondContact O-N 3.43Å; L234-A238 VanDerWaalsContact O-N 3.16Å |
| 235 | Q | 69.6 | Low | 77.4 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | -177.2 | -158.8 | 178.4 | 28.9 | 0 | 0 | 115.8 | W231 R239 | W231-Q235 PolarHBondContact O-N 3.34Å; W231-Q235 VanDerWaalsContact O-N 3.15Å; Q235-R239 WeakPolarHBondContact O-CG 3.29Å; Q235-R239 PolarHBondContact O-N 3.49Å |
| 236 | P | 76.8 | Confident | 78.1 | Confident | 62 Ų | 62 | 97.7 Ų | 97.7 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 174.3 | 24.9 | -35 | 0 | 0 | 0 | 113.1 | S232 S233 R239 L240 | S232-P236 WeakPolarHBondContact O-CD 3.27Å; S233-P236 VanDerWaalsContact O-CD 3.31Å; S233-P236 WeakPolarHBondContact O-CD 3.45Å; S233-P236 WeakPolarHBondContact O-CG 3.46Å; P236-R239 WeakPolarHBondContact O-CB 3.42Å; P236-R239 PolarHBondContact O-N 3.45Å; P236-L240 WeakPolarHBondContact O-CG 3.29Å; P236-L240 PolarHBondContact O-N 3.26Å |
| 237 | D | 73.6 | Confident | 79.1 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | -179.4 | -68.3 | -19.3 | 0 | 0 | 0 | 111 | L234 R239 L240 E241 | L234-D237 PolarHBondContact O-N 2.99Å; D237-R239 VanDerWaalsContact C-N 3.25Å; D237-R239 PolarHBondContact O-N 3.19Å; D237-L240 WeakPolarHBondContact O-CA 3.44Å; D237-L240 WeakPolarHBondContact O-CB 3.4Å; D237-L240 PolarHBondContact O-N 2.92Å; D237-E241 PolarHBondContact O-N 3.43Å |
| 238 | A | 80.5 | Confident | 80.2 | Confident | 58 Ų | 58 | 97.5 Ų | 97.5 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.9 | -36 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | L234 E241 A242 | L234-A238 PolarHBondContact O-N 3.43Å; L234-A238 VanDerWaalsContact O-N 3.16Å; A238-E241 PolarHBondContact O-N 3.4Å; A238-A242 PolarHBondContact O-N 3.1Å |
| 239 | R | 80.6 | Confident | 81.4 | Confident | 154 Ų | 154 | 101.3 Ų | 101.3 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -40.5 | 173.2 | -69.2 | 171.7 | -171.5 | -176.2 | 5.8 | 111.7 | Q235 P236 D237 E241 A242 D243 | Q235-R239 WeakPolarHBondContact O-CG 3.29Å; Q235-R239 PolarHBondContact O-N 3.49Å; P236-R239 WeakPolarHBondContact O-CB 3.42Å; P236-R239 PolarHBondContact O-N 3.45Å; D237-R239 VanDerWaalsContact C-N 3.25Å; D237-R239 PolarHBondContact O-N 3.19Å; R239-E241 VanDerWaalsContact C-N 3.31Å; R239-E241 PolarHBondContact O-N 3.16Å; R239-A242 PolarHBondContact O-N 3.4Å; R239-D243 VanDerWaalsContact O-CB 3.31Å; R239-D243 WeakPolarHBondContact O-CB 3.48Å; R239-D243 PolarHBondContact O-N 3.37Å |
| 240 | L | 85.9 | Confident | 82.3 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -30.3 | 177 | -69.5 | 172.5 | 0 | 0 | 0 | 112.7 | P236 D237 Q244 | P236-L240 WeakPolarHBondContact O-CG 3.29Å; P236-L240 PolarHBondContact O-N 3.26Å; D237-L240 WeakPolarHBondContact O-CA 3.44Å; D237-L240 WeakPolarHBondContact O-CB 3.4Å; D237-L240 PolarHBondContact O-N 2.92Å; L240-Q244 VanDerWaalsContact O-CG 3.24Å; L240-Q244 WeakPolarHBondContact O-CG 3.32Å; L240-Q244 PolarHBondContact O-N 3.07Å; L240-Q244 PolarHBondContact O-NE2 2.69Å |
| 241 | E | 85.3 | Confident | 83.2 | Confident | 132 Ų | 132 | 102.1 Ų | 102.1 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.7 | -45 | 171.4 | -67.7 | -167 | 153.2 | 0 | 0 | 112.1 | D237 A238 R239 D243 Q244 L245 | D237-E241 PolarHBondContact O-N 3.43Å; A238-E241 PolarHBondContact O-N 3.4Å; R239-E241 VanDerWaalsContact C-N 3.31Å; R239-E241 PolarHBondContact O-N 3.16Å; E241-D243 PolarHBondContact O-N 3.28Å; E241-Q244 WeakPolarHBondContact O-CB 3.42Å; E241-Q244 PolarHBondContact O-N 2.81Å; E241-Q244 VanDerWaalsContact O-N 3.1Å; E241-L245 WeakPolarHBondContact O-CG 3.46Å; E241-L245 PolarHBondContact O-N 2.99Å |
| 242 | A | 82.5 | Confident | 84.9 | Confident | 48 Ų | 48 | 95 Ų | 95 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A238 R239 Q244 L245 E246 | A238-A242 PolarHBondContact O-N 3.1Å; R239-A242 PolarHBondContact O-N 3.4Å; A242-Q244 VanDerWaalsContact C-N 3.26Å; A242-Q244 PolarHBondContact O-N 2.87Å; A242-L245 PolarHBondContact O-N 3.08Å; A242-L245 VanDerWaalsContact O-N 3.13Å; A242-E246 PolarHBondContact O-N 2.76Å |
| 243 | D | 88.8 | Confident | 86.2 | Confident | 68 Ų | 68 | 100.6 Ų | 100.6 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -51.9 | -42.2 | 173.1 | -108.2 | 39.9 | 0 | 0 | 0 | 112.4 | R239 E241 K247 | R239-D243 VanDerWaalsContact O-CB 3.31Å; R239-D243 WeakPolarHBondContact O-CB 3.48Å; R239-D243 PolarHBondContact O-N 3.37Å; E241-D243 PolarHBondContact O-N 3.28Å; D243-K247 WeakPolarHBondContact O-CB 3.46Å; D243-K247 WeakPolarHBondContact O-CD 3.48Å; D243-K247 WeakPolarHBondContact O-CE 3.4Å; D243-K247 WeakPolarHBondContact O-CG 3.28Å; D243-K247 PolarHBondContact O-N 3.4Å; D243-K247 WeakPolarHBondContact OD2-CE 3.47Å; D243-K247 IonicContact OD2-NZ 3.66Å; D243-K247 PolarHBondContact OD2-NZ 2.96Å |
| 244 | Q | 90.9 | Very high | 87.6 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.7 | -40.6 | 179.4 | -78.9 | 174.1 | 89.5 | 0 | 0 | 112 | L240 E241 A242 K247 A248 | L240-Q244 VanDerWaalsContact O-CG 3.24Å; L240-Q244 WeakPolarHBondContact O-CG 3.32Å; L240-Q244 PolarHBondContact O-N 3.07Å; L240-Q244 PolarHBondContact O-NE2 2.69Å; E241-Q244 WeakPolarHBondContact O-CB 3.42Å; E241-Q244 PolarHBondContact O-N 2.81Å; E241-Q244 VanDerWaalsContact O-N 3.1Å; A242-Q244 VanDerWaalsContact C-N 3.26Å; A242-Q244 PolarHBondContact O-N 2.87Å; Q244-K247 PolarHBondContact O-N 2.93Å; Q244-A248 WeakPolarHBondContact O-CB 3.41Å; Q244-A248 PolarHBondContact O-N 3.16Å |
| 245 | L | 91.6 | Very high | 88.6 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 175.2 | -69.1 | 171.9 | 0 | 0 | 0 | 111.5 | E241 A242 A248 R249 | E241-L245 WeakPolarHBondContact O-CG 3.46Å; E241-L245 PolarHBondContact O-N 2.99Å; A242-L245 PolarHBondContact O-N 3.08Å; A242-L245 VanDerWaalsContact O-N 3.13Å; L245-A248 PolarHBondContact O-N 2.86Å; L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.24Å; L245-R249 PolarHBondContact O-N 3.27Å |
| 246 | E | 90.1 | Very high | 90 | Very high | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 172.3 | -73.3 | -168.7 | -178 | 0 | 0 | 112.2 | A242 A248 R249 V250 | A242-E246 PolarHBondContact O-N 2.76Å; E246-A248 PolarHBondContact O-N 2.84Å; E246-R249 WeakPolarHBondContact O-CB 3.4Å; E246-R249 PolarHBondContact O-N 3.21Å; E246-R249 VanDerWaalsContact O-N 3.1Å; E246-V250 WeakPolarHBondContact O-CG2 3.34Å; E246-V250 PolarHBondContact O-N 3.46Å |
| 247 | K | 96.4 | Very high | 90.9 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -34.2 | 175.2 | -70.4 | 158.4 | -156.2 | 170.7 | 0 | 111.3 | D243 Q244 R251 | D243-K247 WeakPolarHBondContact O-CB 3.46Å; D243-K247 WeakPolarHBondContact O-CD 3.48Å; D243-K247 WeakPolarHBondContact O-CE 3.4Å; D243-K247 WeakPolarHBondContact O-CG 3.28Å; D243-K247 PolarHBondContact O-N 3.4Å; D243-K247 WeakPolarHBondContact OD2-CE 3.47Å; D243-K247 IonicContact OD2-NZ 3.66Å; D243-K247 PolarHBondContact OD2-NZ 2.96Å; Q244-K247 PolarHBondContact O-N 2.93Å; K247-R251 WeakPolarHBondContact O-CB 3.48Å; K247-R251 VanDerWaalsContact O-CD 3.26Å; K247-R251 WeakPolarHBondContact O-CD 3.45Å; K247-R251 WeakPolarHBondContact O-CG 3.4Å; K247-R251 PolarHBondContact O-N 3.2Å |
| 248 | A | 93.2 | Very high | 92 | Very high | 49 Ų | 49 | 108 Ų | 108 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.2 | -46.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q244 L245 E246 V250 R251 G252 | Q244-A248 WeakPolarHBondContact O-CB 3.41Å; Q244-A248 PolarHBondContact O-N 3.16Å; L245-A248 PolarHBondContact O-N 2.86Å; E246-A248 PolarHBondContact O-N 2.84Å; A248-V250 PolarHBondContact O-N 2.87Å; A248-R251 PolarHBondContact O-N 3.11Å; A248-G252 PolarHBondContact O-N 3.32Å |
| 249 | R | 95.5 | Very high | 92.8 | Very high | 150 Ų | 150 | 110.1 Ų | 110.1 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.7 | -44.1 | 175.2 | -71.4 | 164.7 | -175.4 | 178.9 | 2.9 | 111.7 | L245 E246 G252 R253 | L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.24Å; L245-R249 PolarHBondContact O-N 3.27Å; E246-R249 WeakPolarHBondContact O-CB 3.4Å; E246-R249 PolarHBondContact O-N 3.21Å; E246-R249 VanDerWaalsContact O-N 3.1Å; R249-G252 PolarHBondContact O-N 2.9Å; R249-R253 WeakPolarHBondContact O-CG 3.41Å; R249-R253 PolarHBondContact O-N 2.97Å |
| 250 | V | 95.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 108 Ų | 108 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -45.3 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | E246 A248 G252 R253 Q254 | E246-V250 WeakPolarHBondContact O-CG2 3.34Å; E246-V250 PolarHBondContact O-N 3.46Å; A248-V250 PolarHBondContact O-N 2.87Å; V250-G252 VanDerWaalsContact C-N 3.33Å; V250-G252 PolarHBondContact O-N 2.89Å; V250-R253 PolarHBondContact O-N 3.27Å; V250-Q254 WeakPolarHBondContact O-CB 3.29Å; V250-Q254 PolarHBondContact O-N 2.67Å |
| 251 | R | 96.1 | Very high | 94.2 | Very high | 168 Ų | 168 | 108.7 Ų | 108.7 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59 | -43 | 173.4 | -72 | 163.5 | -169.1 | 159.4 | 1.6 | 111.6 | K247 A248 Q254 A255 | K247-R251 WeakPolarHBondContact O-CB 3.48Å; K247-R251 VanDerWaalsContact O-CD 3.26Å; K247-R251 WeakPolarHBondContact O-CD 3.45Å; K247-R251 WeakPolarHBondContact O-CG 3.4Å; K247-R251 PolarHBondContact O-N 3.2Å; A248-R251 PolarHBondContact O-N 3.11Å; R251-Q254 PolarHBondContact O-N 2.99Å; R251-A255 WeakPolarHBondContact O-CB 3.33Å; R251-A255 PolarHBondContact O-N 3.11Å |
| 252 | G | 97.1 | Very high | 94.8 | Very high | 33 Ų | 33 | 107.1 Ų | 107.1 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A248 R249 V250 Q254 A255 L256 | A248-G252 PolarHBondContact O-N 3.32Å; R249-G252 PolarHBondContact O-N 2.9Å; V250-G252 VanDerWaalsContact C-N 3.33Å; V250-G252 PolarHBondContact O-N 2.89Å; G252-Q254 VanDerWaalsContact C-N 3.31Å; G252-Q254 PolarHBondContact O-N 2.99Å; G252-A255 PolarHBondContact O-N 3.3Å; G252-L256 WeakPolarHBondContact O-CG 3.19Å; G252-L256 PolarHBondContact O-N 3.21Å |
| 253 | R | 96.9 | Very high | 95.5 | Very high | 193 Ų | 193 | 108.2 Ų | 108.2 | 73% | 0.728 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -40.7 | 173.8 | -72.1 | 176 | 179.9 | 175 | 0.8 | 112.1 | R249 V250 R257 | R249-R253 WeakPolarHBondContact O-CG 3.41Å; R249-R253 PolarHBondContact O-N 2.97Å; V250-R253 PolarHBondContact O-N 3.27Å; R253-R257 WeakPolarHBondContact O-CB 3.3Å; R253-R257 PolarHBondContact O-N 2.81Å; R253-R257 VanDerWaalsContact O-N 3.1Å |
| 254 | Q | 96.8 | Very high | 95.9 | Very high | 106 Ų | 106 | 108.2 Ų | 108.2 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.9 | -36.8 | 177.8 | -168.5 | -179 | 62.2 | 0 | 0 | 112.6 | V250 R251 G252 R258 | V250-Q254 WeakPolarHBondContact O-CB 3.29Å; V250-Q254 PolarHBondContact O-N 2.67Å; R251-Q254 PolarHBondContact O-N 2.99Å; G252-Q254 VanDerWaalsContact C-N 3.31Å; G252-Q254 PolarHBondContact O-N 2.99Å; Q254-R258 WeakPolarHBondContact O-CG 3.45Å; Q254-R258 PolarHBondContact O-N 2.9Å |
| 255 | A | 97.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 109.3 Ų | 109.3 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -50.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R251 G252 R257 R258 E259 | R251-A255 WeakPolarHBondContact O-CB 3.33Å; R251-A255 PolarHBondContact O-N 3.11Å; G252-A255 PolarHBondContact O-N 3.3Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.19Å; A255-R258 WeakPolarHBondContact O-CB 3.33Å; A255-R258 PolarHBondContact O-N 3.3Å; A255-E259 PolarHBondContact O-N 3.04Å |
| 256 | L | 97.3 | Very high | 96.5 | Very high | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.3 | -42.4 | 176.1 | -73.4 | 167.2 | 0 | 0 | 0 | 112.1 | G252 R258 E259 Q260 | G252-L256 WeakPolarHBondContact O-CG 3.19Å; G252-L256 PolarHBondContact O-N 3.21Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 3.35Å; L256-E259 PolarHBondContact O-N 2.91Å; L256-Q260 WeakPolarHBondContact O-CB 3.26Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.49Å |
| 257 | R | 97.3 | Very high | 96.9 | Very high | 182 Ų | 182 | 110.9 Ų | 110.9 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.7 | -30 | 177.2 | -167.6 | 172.8 | -176 | 174.8 | 2.3 | 113 | R253 A255 L261 | R253-R257 WeakPolarHBondContact O-CB 3.3Å; R253-R257 PolarHBondContact O-N 2.81Å; R253-R257 VanDerWaalsContact O-N 3.1Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.19Å; R257-L261 WeakPolarHBondContact O-CD1 3.48Å; R257-L261 VanDerWaalsContact O-CG 3.26Å; R257-L261 WeakPolarHBondContact O-CG 3.09Å; R257-L261 PolarHBondContact O-N 3.43Å |
| 258 | R | 96.9 | Very high | 97 | Very high | 143 Ų | 143 | 110.9 Ų | 110.9 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.9 | -44.3 | 171.3 | -72 | 174.4 | -175.6 | 159.3 | 6.7 | 111.1 | Q254 A255 L256 Q260 L261 E262 | Q254-R258 WeakPolarHBondContact O-CG 3.45Å; Q254-R258 PolarHBondContact O-N 2.9Å; A255-R258 WeakPolarHBondContact O-CB 3.33Å; A255-R258 PolarHBondContact O-N 3.3Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 3.35Å; R258-Q260 PolarHBondContact O-N 2.83Å; R258-L261 PolarHBondContact O-N 3.29Å; R258-E262 WeakPolarHBondContact O-CG 3.42Å; R258-E262 PolarHBondContact O-N 2.77Å |
| 259 | E | 97.2 | Very high | 97.2 | Very high | 103 Ų | 103 | 113.4 Ų | 113.4 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 178.6 | -162.3 | -166 | 148.9 | 0 | 0 | 111.6 | A255 L256 L261 E262 Q263 | A255-E259 PolarHBondContact O-N 3.04Å; L256-E259 PolarHBondContact O-N 2.91Å; E259-L261 PolarHBondContact O-N 2.88Å; E259-E262 CarbonylContact O-C 3.59Å; E259-E262 PolarHBondContact O-N 2.78Å; E259-E262 VanDerWaalsContact O-N 3.11Å; E259-Q263 WeakPolarHBondContact O-CG 3.48Å; E259-Q263 PolarHBondContact O-N 2.86Å; E259-Q263 PolarHBondContact OE1-NE2 3.49Å |
| 260 | Q | 96.9 | Very high | 97.3 | Very high | 111 Ų | 111 | 110.7 Ų | 110.7 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55.9 | -49.1 | 173.3 | -73.7 | 169.8 | -21.6 | 0 | 0 | 111.9 | L256 R258 E262 Q263 D264 | L256-Q260 WeakPolarHBondContact O-CB 3.26Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.49Å; R258-Q260 PolarHBondContact O-N 2.83Å; Q260-E262 VanDerWaalsContact C-N 3.27Å; Q260-E262 PolarHBondContact O-N 3.15Å; Q260-Q263 PolarHBondContact O-N 3.11Å; Q260-D264 PolarHBondContact O-N 3.12Å |
| 261 | L | 97.9 | Very high | 97.4 | Very high | 113 Ų | 113 | 111.6 Ų | 111.6 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -31.3 | 176.4 | -70.9 | 169.3 | 0 | 0 | 0 | 113 | R257 R258 E259 R265 | R257-L261 WeakPolarHBondContact O-CD1 3.48Å; R257-L261 VanDerWaalsContact O-CG 3.26Å; R257-L261 WeakPolarHBondContact O-CG 3.09Å; R257-L261 PolarHBondContact O-N 3.43Å; R258-L261 PolarHBondContact O-N 3.29Å; E259-L261 PolarHBondContact O-N 2.88Å; L261-R265 VanDerWaalsContact O-CB 3.25Å; L261-R265 WeakPolarHBondContact O-CB 3.47Å; L261-R265 PolarHBondContact O-N 3.24Å |
| 262 | E | 97.4 | Very high | 97.5 | Very high | 100 Ų | 100 | 108.6 Ų | 108.6 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.4 | -37.8 | 174.5 | -75.1 | -177.5 | -150.9 | 0 | 0 | 112.5 | R258 E259 Q260 Q266 | R258-E262 WeakPolarHBondContact O-CG 3.42Å; R258-E262 PolarHBondContact O-N 2.77Å; E259-E262 CarbonylContact O-C 3.59Å; E259-E262 PolarHBondContact O-N 2.78Å; E259-E262 VanDerWaalsContact O-N 3.11Å; Q260-E262 VanDerWaalsContact C-N 3.27Å; Q260-E262 PolarHBondContact O-N 3.15Å; E262-Q266 VanDerWaalsContact O-CG 3.23Å; E262-Q266 WeakPolarHBondContact O-CG 3.42Å; E262-Q266 PolarHBondContact O-N 3.31Å; E262-Q266 PolarHBondContact O-NE2 2.9Å |
| 263 | Q | 97.2 | Very high | 97.6 | Very high | 70 Ų | 70 | 112.1 Ų | 112.1 | 33% | 0.327 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 171.8 | -68.7 | 175.3 | 18.8 | 0 | 0 | 111 | E259 Q260 Q266 R267 | E259-Q263 WeakPolarHBondContact O-CG 3.48Å; E259-Q263 PolarHBondContact O-N 2.86Å; E259-Q263 PolarHBondContact OE1-NE2 3.49Å; Q260-Q263 PolarHBondContact O-N 3.11Å; Q263-Q266 WeakPolarHBondContact O-CB 3.19Å; Q263-Q266 PolarHBondContact O-N 3.47Å; Q263-Q266 VanDerWaalsContact O-N 3.12Å; Q263-R267 WeakPolarHBondContact O-CG 3.44Å; Q263-R267 PolarHBondContact O-N 3.41Å |
| 264 | D | 97.2 | Very high | 97.6 | Very high | 68 Ų | 68 | 108.3 Ų | 108.3 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 177.4 | -70.3 | -29.5 | 0 | 0 | 0 | 112.1 | Q260 Q266 R267 L268 | Q260-D264 PolarHBondContact O-N 3.12Å; D264-Q266 VanDerWaalsContact C-N 3.3Å; D264-Q266 PolarHBondContact O-N 3.27Å; D264-R267 PolarHBondContact O-N 3.08Å; D264-R267 IonicContact OD1-CZ 3.49Å; D264-R267 IonicContact OD1-NH1 3.51Å; D264-R267 PolarHBondContact OD1-NH1 2.95Å; D264-L268 WeakPolarHBondContact O-CB 3.27Å; D264-L268 WeakPolarHBondContact O-CG 3.41Å; D264-L268 PolarHBondContact O-N 2.84Å |
| 265 | R | 97.7 | Very high | 97.7 | Very high | 147 Ų | 147 | 108.4 Ų | 108.4 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.6 | -39.3 | 170.1 | -174.7 | -174.1 | 65.9 | 150.5 | -2.4 | 111.9 | L261 L269 | L261-R265 VanDerWaalsContact O-CB 3.25Å; L261-R265 WeakPolarHBondContact O-CB 3.47Å; L261-R265 PolarHBondContact O-N 3.24Å; R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 VanDerWaalsContact O-CG 3.25Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 2.88Å |
| 266 | Q | 98 | Very high | 97.6 | Very high | 112 Ų | 112 | 111.8 Ų | 111.8 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.5 | -73.3 | 168.7 | 44.5 | 0 | 0 | 111.7 | E262 Q263 D264 L269 V270 | E262-Q266 VanDerWaalsContact O-CG 3.23Å; E262-Q266 WeakPolarHBondContact O-CG 3.42Å; E262-Q266 PolarHBondContact O-N 3.31Å; E262-Q266 PolarHBondContact O-NE2 2.9Å; Q263-Q266 WeakPolarHBondContact O-CB 3.19Å; Q263-Q266 PolarHBondContact O-N 3.47Å; Q263-Q266 VanDerWaalsContact O-N 3.12Å; D264-Q266 VanDerWaalsContact C-N 3.3Å; D264-Q266 PolarHBondContact O-N 3.27Å; Q266-L269 PolarHBondContact O-N 2.95Å; Q266-V270 WeakPolarHBondContact O-CG2 3.24Å; Q266-V270 PolarHBondContact O-N 3.42Å; Q266-V270 VanDerWaalsContact O-N 3.12Å |
| 267 | R | 98.3 | Very high | 97.6 | Very high | 136 Ų | 136 | 111.6 Ų | 111.6 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55.4 | -53.7 | 173.7 | -69.4 | 167.6 | 179.5 | 150.8 | 0.2 | 111.2 | Q263 D264 L269 V270 E271 | Q263-R267 WeakPolarHBondContact O-CG 3.44Å; Q263-R267 PolarHBondContact O-N 3.41Å; D264-R267 PolarHBondContact O-N 3.08Å; D264-R267 IonicContact OD1-CZ 3.49Å; D264-R267 IonicContact OD1-NH1 3.51Å; D264-R267 PolarHBondContact OD1-NH1 2.95Å; R267-L269 VanDerWaalsContact C-N 3.29Å; R267-L269 PolarHBondContact O-N 2.85Å; R267-V270 PolarHBondContact O-N 3.09Å; R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.46Å |
| 268 | L | 98.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 105.7 Ų | 105.7 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -35 | 179 | -71.3 | 169.5 | 0 | 0 | 0 | 113.1 | D264 L272 | D264-L268 WeakPolarHBondContact O-CB 3.27Å; D264-L268 WeakPolarHBondContact O-CG 3.41Å; D264-L268 PolarHBondContact O-N 2.84Å; L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.38Å; L268-L272 PolarHBondContact O-N 3.19Å |
| 269 | L | 98.3 | Very high | 97.6 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 175.3 | -74.8 | 168.6 | 0 | 0 | 0 | 112.5 | R265 Q266 R267 Q273 | R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 VanDerWaalsContact O-CG 3.25Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 2.88Å; Q266-L269 PolarHBondContact O-N 2.95Å; R267-L269 VanDerWaalsContact C-N 3.29Å; R267-L269 PolarHBondContact O-N 2.85Å; L269-Q273 WeakPolarHBondContact O-CB 3.39Å; L269-Q273 PolarHBondContact O-N 2.9Å |
| 270 | V | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.2 | -42.1 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 111 | Q266 R267 Q273 H274 | Q266-V270 WeakPolarHBondContact O-CG2 3.24Å; Q266-V270 PolarHBondContact O-N 3.42Å; Q266-V270 VanDerWaalsContact O-N 3.12Å; R267-V270 PolarHBondContact O-N 3.09Å; V270-Q273 PolarHBondContact O-N 3.19Å; V270-H274 PolarHBondContact O-N 3.5Å |
| 271 | E | 98.1 | Very high | 97.6 | Very high | 110 Ų | 110 | 100.9 Ų | 100.9 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 174.9 | -72 | 170 | -161.7 | 0 | 0 | 111.8 | R267 Q273 H274 L275 | R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.46Å; E271-Q273 VanDerWaalsContact C-N 3.34Å; E271-Q273 PolarHBondContact O-N 3.18Å; E271-H274 PolarHBondContact O-N 3.38Å; E271-L275 WeakPolarHBondContact O-CB 3.47Å; E271-L275 WeakPolarHBondContact O-CG 3.38Å; E271-L275 PolarHBondContact O-N 3.06Å |
| 272 | L | 98.1 | Very high | 97.5 | Very high | 106 Ų | 106 | 102.9 Ų | 102.9 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 174.5 | -76 | 168.7 | 0 | 0 | 0 | 112.2 | L268 L275 Q276 | L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.38Å; L268-L272 PolarHBondContact O-N 3.19Å; L272-L275 PolarHBondContact O-N 3.2Å; L272-Q276 WeakPolarHBondContact O-CB 3.45Å; L272-Q276 PolarHBondContact O-N 3.07Å |
| 273 | Q | 97.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 105.1 Ų | 105.1 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 174.5 | -171.6 | -180 | 16 | 0 | 0 | 111.5 | L269 V270 E271 Q276 Q277 | L269-Q273 WeakPolarHBondContact O-CB 3.39Å; L269-Q273 PolarHBondContact O-N 2.9Å; V270-Q273 PolarHBondContact O-N 3.19Å; E271-Q273 VanDerWaalsContact C-N 3.34Å; E271-Q273 PolarHBondContact O-N 3.18Å; Q273-Q276 PolarHBondContact O-N 3.31Å; Q273-Q277 WeakPolarHBondContact O-CB 3.32Å; Q273-Q277 VanDerWaalsContact O-CG 3.29Å; Q273-Q277 WeakPolarHBondContact O-CG 3.26Å; Q273-Q277 PolarHBondContact O-N 2.9Å |
| 274 | H | 98.1 | Very high | 97.2 | Very high | 112 Ų | 112 | 110.8 Ų | 110.8 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 176.2 | -174.5 | 70.6 | 0 | 0 | 0 | 112.4 | V270 E271 Q277 T278 | V270-H274 PolarHBondContact O-N 3.5Å; E271-H274 PolarHBondContact O-N 3.38Å; H274-Q277 PolarHBondContact O-N 3.2Å; H274-T278 WeakPolarHBondContact O-CB 3.37Å; H274-T278 WeakPolarHBondContact O-CG2 3.26Å; H274-T278 PolarHBondContact O-N 3.4Å; H274-T278 PolarHBondContact O-OG1 3.28Å |
| 275 | L | 97.4 | Very high | 97 | Very high | 108 Ų | 108 | 113.1 Ų | 113.1 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 173.4 | -73 | 168.7 | 0 | 0 | 0 | 111.6 | E271 L272 T278 D279 | E271-L275 WeakPolarHBondContact O-CB 3.47Å; E271-L275 WeakPolarHBondContact O-CG 3.38Å; E271-L275 PolarHBondContact O-N 3.06Å; L272-L275 PolarHBondContact O-N 3.2Å; L275-T278 WeakPolarHBondContact CA-OG1 3.47Å; L275-T278 PolarHBondContact O-OG1 3.31Å; L275-D279 WeakPolarHBondContact O-CB 3.45Å; L275-D279 PolarHBondContact O-N 2.83Å |
| 276 | Q | 96.8 | Very high | 96.6 | Very high | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 173.8 | -172.6 | -177.1 | 9.3 | 0 | 0 | 111.6 | L272 Q273 L280 | L272-Q276 WeakPolarHBondContact O-CB 3.45Å; L272-Q276 PolarHBondContact O-N 3.07Å; Q273-Q276 PolarHBondContact O-N 3.31Å; Q276-L280 HydrophobicContact CG-CD1 4.08Å; Q276-L280 VanDerWaalsContact O-CB 3.31Å; Q276-L280 WeakPolarHBondContact O-CB 3.08Å; Q276-L280 WeakPolarHBondContact O-CG 3.31Å; Q276-L280 PolarHBondContact O-N 3Å |
| 277 | Q | 97.5 | Very high | 96.2 | Very high | 98 Ų | 98 | 109 Ų | 109 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 177.2 | -74.7 | 173.4 | 8.5 | 0 | 0 | 112.3 | Q273 H274 L280 L281 | Q273-Q277 WeakPolarHBondContact O-CB 3.32Å; Q273-Q277 VanDerWaalsContact O-CG 3.29Å; Q273-Q277 WeakPolarHBondContact O-CG 3.26Å; Q273-Q277 PolarHBondContact O-N 2.9Å; H274-Q277 PolarHBondContact O-N 3.2Å; Q277-L280 PolarHBondContact O-N 2.76Å; Q277-L281 WeakPolarHBondContact O-CB 3.42Å; Q277-L281 VanDerWaalsContact O-CG 3.29Å; Q277-L281 WeakPolarHBondContact O-CG 3.23Å; Q277-L281 PolarHBondContact O-N 2.76Å |
| 278 | T | 96.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 107 Ų | 107 | 36% | 0.356 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.4 | -36.4 | -179.6 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | H274 L275 L281 R282 | H274-T278 WeakPolarHBondContact O-CB 3.37Å; H274-T278 WeakPolarHBondContact O-CG2 3.26Å; H274-T278 PolarHBondContact O-N 3.4Å; H274-T278 PolarHBondContact O-OG1 3.28Å; L275-T278 WeakPolarHBondContact CA-OG1 3.47Å; L275-T278 PolarHBondContact O-OG1 3.31Å; T278-L281 PolarHBondContact O-N 3.47Å; T278-R282 WeakPolarHBondContact O-CB 3.44Å; T278-R282 PolarHBondContact O-N 2.88Å |
| 279 | D | 97.2 | Very high | 95.1 | Very high | 57 Ų | 57 | 109.8 Ų | 109.8 | 31% | 0.305 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.8 | -38.6 | 172.4 | -170.7 | 49.7 | 0 | 0 | 0 | 112.4 | L275 L281 R282 R283 | L275-D279 WeakPolarHBondContact O-CB 3.45Å; L275-D279 PolarHBondContact O-N 2.83Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 2.96Å; D279-R282 PolarHBondContact O-N 3.36Å; D279-R283 WeakPolarHBondContact O-CB 3.38Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.47Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 2.59Å; D279-R283 IonicContact OD2-CZ 3.84Å; D279-R283 IonicContact OD2-NE 3.76Å; D279-R283 PolarHBondContact OD2-NE 3.5Å; D279-R283 IonicContact OD2-NH2 2.94Å; D279-R283 PolarHBondContact OD2-NH2 2.99Å |
| 280 | L | 97 | Very high | 94.5 | Very high | 101 Ų | 101 | 108.9 Ų | 108.9 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 171 | -76.2 | 171.1 | 0 | 0 | 0 | 112.1 | Q276 Q277 R284 | Q276-L280 HydrophobicContact CG-CD1 4.08Å; Q276-L280 VanDerWaalsContact O-CB 3.31Å; Q276-L280 WeakPolarHBondContact O-CB 3.08Å; Q276-L280 WeakPolarHBondContact O-CG 3.31Å; Q276-L280 PolarHBondContact O-N 3Å; Q277-L280 PolarHBondContact O-N 2.76Å; L280-R284 VanDerWaalsContact O-CB 3.3Å; L280-R284 WeakPolarHBondContact O-CB 3.23Å; L280-R284 PolarHBondContact O-N 3.32Å |
| 281 | L | 96.5 | Very high | 94 | Very high | 97 Ų | 97 | 107.8 Ų | 107.8 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 174.1 | -73.4 | 170.5 | 0 | 0 | 0 | 111.9 | Q277 T278 D279 R284 Q285 | Q277-L281 WeakPolarHBondContact O-CB 3.42Å; Q277-L281 VanDerWaalsContact O-CG 3.29Å; Q277-L281 WeakPolarHBondContact O-CG 3.23Å; Q277-L281 PolarHBondContact O-N 2.76Å; T278-L281 PolarHBondContact O-N 3.47Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 2.96Å; L281-R284 PolarHBondContact O-N 3.25Å; L281-Q285 WeakPolarHBondContact O-CG 3.49Å; L281-Q285 PolarHBondContact O-N 3Å |
| 282 | R | 96.1 | Very high | 93 | Very high | 155 Ų | 155 | 106.7 Ų | 106.7 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58 | -49.5 | 172.9 | 171.9 | -174.5 | -82.4 | -172.9 | -5.4 | 111.4 | T278 D279 R284 Q285 Q286 | T278-R282 WeakPolarHBondContact O-CB 3.44Å; T278-R282 PolarHBondContact O-N 2.88Å; D279-R282 PolarHBondContact O-N 3.36Å; R282-R284 VanDerWaalsContact C-N 3.35Å; R282-R284 PolarHBondContact O-N 3.14Å; R282-Q285 WeakPolarHBondContact O-CB 3.4Å; R282-Q285 PolarHBondContact O-N 3.21Å; R282-Q286 WeakPolarHBondContact O-CG 3.41Å; R282-Q286 PolarHBondContact O-N 3.28Å |
| 283 | R | 94.8 | Very high | 92.2 | Very high | 147 Ų | 147 | 106.5 Ų | 106.5 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 177.2 | -69.2 | 176.9 | -162.8 | -142.6 | 8.4 | 111.3 | D279 Q285 Q286 V287 | D279-R283 WeakPolarHBondContact O-CB 3.38Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.47Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 2.59Å; D279-R283 IonicContact OD2-CZ 3.84Å; D279-R283 IonicContact OD2-NE 3.76Å; D279-R283 PolarHBondContact OD2-NE 3.5Å; D279-R283 IonicContact OD2-NH2 2.94Å; D279-R283 PolarHBondContact OD2-NH2 2.99Å; R283-Q285 PolarHBondContact O-N 3.22Å; R283-Q286 PolarHBondContact O-N 3.21Å; R283-V287 WeakPolarHBondContact O-CG2 3.34Å; R283-V287 PolarHBondContact O-N 2.92Å |
| 284 | R | 92.9 | Very high | 91.4 | Very high | 189 Ų | 189 | 106.1 Ų | 106.1 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 175.2 | -175.6 | 178.5 | 177.5 | -173.9 | -0.6 | 112.1 | L280 L281 R282 V287 S288 | L280-R284 VanDerWaalsContact O-CB 3.3Å; L280-R284 WeakPolarHBondContact O-CB 3.23Å; L280-R284 PolarHBondContact O-N 3.32Å; L281-R284 PolarHBondContact O-N 3.25Å; R282-R284 VanDerWaalsContact C-N 3.35Å; R282-R284 PolarHBondContact O-N 3.14Å; R284-V287 PolarHBondContact O-N 2.91Å; R284-S288 WeakPolarHBondContact O-CB 3.31Å; R284-S288 PolarHBondContact O-N 2.97Å; R284-S288 PolarHBondContact O-OG 2.94Å |
| 285 | Q | 92.9 | Very high | 90.6 | Very high | 118 Ų | 118 | 106.2 Ų | 106.2 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -46.7 | 174.7 | -74.3 | 171.2 | -1.8 | 0 | 0 | 111.3 | L281 R282 R283 V287 S288 Q289 | L281-Q285 WeakPolarHBondContact O-CG 3.49Å; L281-Q285 PolarHBondContact O-N 3Å; R282-Q285 WeakPolarHBondContact O-CB 3.4Å; R282-Q285 PolarHBondContact O-N 3.21Å; R283-Q285 PolarHBondContact O-N 3.22Å; Q285-V287 PolarHBondContact O-N 2.93Å; Q285-S288 WeakPolarHBondContact CA-OG 3.47Å; Q285-S288 PolarHBondContact O-N 3.5Å; Q285-S288 PolarHBondContact O-OG 3.42Å; Q285-Q289 WeakPolarHBondContact O-CG 3.42Å; Q285-Q289 PolarHBondContact O-N 3.1Å; Q285-Q289 VanDerWaalsContact O-N 3.08Å |
| 286 | Q | 90.8 | Very high | 90 | Very high | 103 Ų | 103 | 104.3 Ų | 104.3 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.3 | -70.9 | 170.6 | -23.2 | 0 | 0 | 112.1 | R282 R283 S288 Q289 M290 | R282-Q286 WeakPolarHBondContact O-CG 3.41Å; R282-Q286 PolarHBondContact O-N 3.28Å; R283-Q286 PolarHBondContact O-N 3.21Å; Q286-S288 PolarHBondContact O-N 2.88Å; Q286-Q289 PolarHBondContact O-N 2.95Å; Q286-M290 PolarHBondContact O-N 3.5Å |
| 287 | V | 89.6 | Confident | 89.6 | Confident | 69 Ų | 69 | 100.9 Ų | 100.9 | 42% | 0.418 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | R283 R284 Q285 Q289 M290 F295 | R283-V287 WeakPolarHBondContact O-CG2 3.34Å; R283-V287 PolarHBondContact O-N 2.92Å; R284-V287 PolarHBondContact O-N 2.91Å; Q285-V287 PolarHBondContact O-N 2.93Å; V287-Q289 PolarHBondContact O-N 3.33Å; V287-M290 HydrophobicContact CB-CE 4.39Å; V287-M290 HydrophobicContact CG2-CE 3.91Å; V287-M290 PolarHBondContact O-N 3.3Å; V287-F295 HydrophobicContact CG1-CE2 4.05Å; V287-F295 HydrophobicContact CG1-CZ 4.1Å; V287-F295 HydrophobicContact CG2-CZ 4.48Å |
| 288 | S | 85.1 | Confident | 88.9 | Confident | 94 Ų | 94 | 102 Ų | 102 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.6 | -13.8 | 175.4 | 66.7 | 0 | 0 | 0 | 0 | 114.9 | R284 Q285 Q286 | R284-S288 WeakPolarHBondContact O-CB 3.31Å; R284-S288 PolarHBondContact O-N 2.97Å; R284-S288 PolarHBondContact O-OG 2.94Å; Q285-S288 WeakPolarHBondContact CA-OG 3.47Å; Q285-S288 PolarHBondContact O-N 3.5Å; Q285-S288 PolarHBondContact O-OG 3.42Å; Q286-S288 PolarHBondContact O-N 2.88Å |
| 289 | Q | 87.6 | Confident | 88.6 | Confident | 155 Ų | 155 | 105.3 Ų | 105.3 | 72% | 0.724 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -92.1 | -12.5 | 173.2 | -71.1 | 172.2 | 3.9 | 0 | 0 | 112.7 | Q285 Q286 V287 | Q285-Q289 WeakPolarHBondContact O-CG 3.42Å; Q285-Q289 PolarHBondContact O-N 3.1Å; Q285-Q289 VanDerWaalsContact O-N 3.08Å; Q286-Q289 PolarHBondContact O-N 2.95Å; V287-Q289 PolarHBondContact O-N 3.33Å |
| 290 | M | 86.4 | Confident | 88.1 | Confident | 82 Ų | 82 | 105.8 Ų | 105.8 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -85.5 | 143.9 | 174.8 | -74.7 | -172.8 | -77.4 | 0 | 0 | 110.8 | Q286 V287 F295 | Q286-M290 PolarHBondContact O-N 3.5Å; V287-M290 HydrophobicContact CB-CE 4.39Å; V287-M290 HydrophobicContact CG2-CE 3.91Å; V287-M290 PolarHBondContact O-N 3.3Å; M290-F295 HydrophobicContact CB-CE2 3.98Å; M290-F295 HydrophobicContact CE-CE2 4.34Å; M290-F295 HydrophobicContact CE-CZ 3.81Å; M290-F295 HydrophobicContact SD-CZ 4.42Å |
| 291 | P | 87.1 | Confident | 87.5 | Confident | 71 Ų | 71 | 105 Ų | 105 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | trans | -55.1 | 126.9 | 177.9 | -26.8 | 33.9 | 0 | 0 | 0 | 112.1 | Q293 I294 | P291-Q293 VanDerWaalsContact CB-OE1 3.29Å; P291-Q293 PolarHBondContact O-N 3.09Å; P291-Q293 VanDerWaalsContact O-N 3.1Å; P291-I294 HydrophobicContact CB-CD1 4.33Å; P291-I294 HydrophobicContact CB-CG1 4.4Å; P291-I294 HydrophobicContact CG-CD1 4.3Å; P291-I294 WeakPolarHBondContact O-CB 3.38Å; P291-I294 WeakPolarHBondContact O-CG1 3.4Å; P291-I294 PolarHBondContact O-N 3.21Å | ||
| 292 | P | 77.3 | Confident | 87 | Confident | 87 Ų | 87 | 105.8 Ų | 105.8 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -62.1 | -24.6 | -172.9 | 24.8 | -35.1 | 0 | 0 | 0 | 113.1 | I294 F295 Q296 | P292-I294 PolarHBondContact O-N 3.4Å; P292-F295 PolarHBondContact O-N 2.79Å; P292-F295 VanDerWaalsContact O-N 3.07Å; P292-Q296 PolarHBondContact O-N 3.1Å |
| 293 | Q | 80.7 | Confident | 86.7 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -54.6 | -35 | 175.5 | -60.9 | 81.7 | 0.9 | 0 | 0 | 112 | P291 F295 Q296 R301 | P291-Q293 VanDerWaalsContact CB-OE1 3.29Å; P291-Q293 PolarHBondContact O-N 3.09Å; P291-Q293 VanDerWaalsContact O-N 3.1Å; Q293-F295 PolarHBondContact O-N 2.94Å; Q293-Q296 PolarHBondContact O-N 3.28Å; Q293-R301 PolarHBondContact O-NE 3.48Å; Q293-R301 PolarHBondContact O-NH2 2.77Å |
| 294 | I | 81.6 | Confident | 86.3 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -58.9 | -33.7 | -179.1 | -60.8 | 175.5 | 0 | 0 | 0 | 111.3 | P291 P292 R301 | P291-I294 HydrophobicContact CB-CD1 4.33Å; P291-I294 HydrophobicContact CB-CG1 4.4Å; P291-I294 HydrophobicContact CG-CD1 4.3Å; P291-I294 WeakPolarHBondContact O-CB 3.38Å; P291-I294 WeakPolarHBondContact O-CG1 3.4Å; P291-I294 PolarHBondContact O-N 3.21Å; P292-I294 PolarHBondContact O-N 3.4Å; I294-R301 PolarHBondContact O-NH2 2.85Å; I294-R301 VanDerWaalsContact O-NH2 3.15Å |
| 295 | F | 81.8 | Confident | 86.1 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -92.9 | -12.3 | -177.7 | -60 | -74.9 | 0 | 0 | 0 | 114.1 | V287 M290 P292 Q293 | V287-F295 HydrophobicContact CG1-CE2 4.05Å; V287-F295 HydrophobicContact CG1-CZ 4.1Å; V287-F295 HydrophobicContact CG2-CZ 4.48Å; M290-F295 HydrophobicContact CB-CE2 3.98Å; M290-F295 HydrophobicContact CE-CE2 4.34Å; M290-F295 HydrophobicContact CE-CZ 3.81Å; M290-F295 HydrophobicContact SD-CZ 4.42Å; P292-F295 PolarHBondContact O-N 2.79Å; P292-F295 VanDerWaalsContact O-N 3.07Å; Q293-F295 PolarHBondContact O-N 2.94Å |
| 296 | Q | 85 | Confident | 86.1 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -76.3 | 132.7 | 173.4 | -71.3 | 173 | -41.5 | 0 | 0 | 110.3 | P292 Q293 R301 | P292-Q296 PolarHBondContact O-N 3.1Å; Q293-Q296 PolarHBondContact O-N 3.28Å; Q296-R301 HydrophobicContact CB-CG 3.96Å; Q296-R301 VanDerWaalsContact O-CZ 3.28Å; Q296-R301 PolarHBondContact O-NE 3.44Å; Q296-R301 PolarHBondContact O-NH2 3.38Å |
| 297 | P | 88.3 | Confident | 86.2 | Confident | 56 Ų | 56 | 97 Ų | 97 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | trans | -53.4 | 151.2 | 166.5 | -26.2 | 35.1 | 0 | 0 | 0 | 112.3 | Y299 Q300 R301 | P297-Y299 VanDerWaalsContact C-N 3.29Å; P297-Y299 HydrophobicContact CB-CD1 3.59Å; P297-Y299 HydrophobicContact CB-CE1 3.49Å; P297-Y299 VanDerWaalsContact CB-CE1 3.49Å; P297-Y299 HydrophobicContact CG-CE1 4.01Å; P297-Y299 PolarHBondContact O-N 3.38Å; P297-Q300 HydrophobicContact CB-CG 4.39Å; P297-Q300 HydrophobicContact CG-CG 4.42Å; P297-Q300 PolarHBondContact O-N 3.17Å; P297-Q300 VanDerWaalsContact O-N 3.11Å; P297-R301 PolarHBondContact O-N 3.08Å | ||
| 298 | L | 82.8 | Confident | 86.3 | Confident | 121 Ų | 121 | 98.3 Ų | 98.3 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.8 | -40 | -176.3 | -67.2 | 176.6 | 0 | 0 | 0 | 112.9 | Q300 R301 Q302 | L298-Q300 PolarHBondContact O-N 2.74Å; L298-R301 WeakPolarHBondContact O-CB 3.25Å; L298-R301 PolarHBondContact O-N 2.77Å; L298-R301 VanDerWaalsContact O-N 3.09Å; L298-Q302 PolarHBondContact O-N 2.83Å; L298-Q302 VanDerWaalsContact O-N 3.08Å |
| 299 | Y | 89.1 | Confident | 86.7 | Confident | 127 Ų | 127 | 99.1 Ų | 99.1 | 50% | 0.498 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.5 | 79.9 | -91.5 | 0 | 0 | 0 | 111.9 | P297 R301 Q302 E303 | P297-Y299 VanDerWaalsContact C-N 3.29Å; P297-Y299 HydrophobicContact CB-CD1 3.59Å; P297-Y299 HydrophobicContact CB-CE1 3.49Å; P297-Y299 VanDerWaalsContact CB-CE1 3.49Å; P297-Y299 HydrophobicContact CG-CE1 4.01Å; P297-Y299 PolarHBondContact O-N 3.38Å; Y299-R301 PolarHBondContact O-N 3.46Å; Y299-Q302 CarbonylContact O-C 3.59Å; Y299-Q302 WeakPolarHBondContact O-CA 3.46Å; Y299-Q302 WeakPolarHBondContact O-CB 3.49Å; Y299-Q302 PolarHBondContact O-N 2.75Å; Y299-E303 WeakPolarHBondContact CD2-OE1 3.22Å; Y299-E303 WeakPolarHBondContact CD2-OE2 3.33Å; Y299-E303 WeakPolarHBondContact CE2-OE2 3.47Å; Y299-E303 WeakPolarHBondContact O-CG 3.43Å; Y299-E303 PolarHBondContact O-N 3.16Å |
| 300 | Q | 86.6 | Confident | 87 | Confident | 68 Ų | 68 | 98.1 Ų | 98.1 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -27.3 | 175.3 | -62.5 | -177 | 7.9 | 0 | 0 | 113.1 | P297 L298 Q302 E303 A304 | P297-Q300 HydrophobicContact CB-CG 4.39Å; P297-Q300 HydrophobicContact CG-CG 4.42Å; P297-Q300 PolarHBondContact O-N 3.17Å; P297-Q300 VanDerWaalsContact O-N 3.11Å; L298-Q300 PolarHBondContact O-N 2.74Å; Q300-Q302 VanDerWaalsContact C-N 3.35Å; Q300-E303 WeakPolarHBondContact CA-OE2 3.2Å; Q300-A304 VanDerWaalsContact O-CB 3.26Å; Q300-A304 WeakPolarHBondContact O-CB 3.28Å; Q300-A304 PolarHBondContact O-N 2.98Å |
| 301 | R | 85.4 | Confident | 87.4 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 32% | 0.321 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -76 | -24.2 | 172.7 | -56.4 | 177.7 | -158 | -179.1 | 1.5 | 112.5 | Q293 I294 Q296 P297 L298 Y299 R305 | Q293-R301 PolarHBondContact O-NE 3.48Å; Q293-R301 PolarHBondContact O-NH2 2.77Å; I294-R301 PolarHBondContact O-NH2 2.85Å; I294-R301 VanDerWaalsContact O-NH2 3.15Å; Q296-R301 HydrophobicContact CB-CG 3.96Å; Q296-R301 VanDerWaalsContact O-CZ 3.28Å; Q296-R301 PolarHBondContact O-NE 3.44Å; Q296-R301 PolarHBondContact O-NH2 3.38Å; P297-R301 PolarHBondContact O-N 3.08Å; L298-R301 WeakPolarHBondContact O-CB 3.25Å; L298-R301 PolarHBondContact O-N 2.77Å; L298-R301 VanDerWaalsContact O-N 3.09Å; Y299-R301 PolarHBondContact O-N 3.46Å; R301-R305 VanDerWaalsContact O-CD 3.29Å; R301-R305 WeakPolarHBondContact O-CD 3.44Å; R301-R305 WeakPolarHBondContact O-CG 3.41Å |
| 302 | Q | 85.2 | Confident | 87.6 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -79.9 | -49.9 | 172.7 | -70.1 | 164.8 | -35.8 | 0 | 0 | 109.4 | L298 Y299 Q300 A304 R305 E306 | L298-Q302 PolarHBondContact O-N 2.83Å; L298-Q302 VanDerWaalsContact O-N 3.08Å; Y299-Q302 CarbonylContact O-C 3.59Å; Y299-Q302 WeakPolarHBondContact O-CA 3.46Å; Y299-Q302 WeakPolarHBondContact O-CB 3.49Å; Y299-Q302 PolarHBondContact O-N 2.75Å; Q300-Q302 VanDerWaalsContact C-N 3.35Å; Q302-A304 PolarHBondContact O-N 2.8Å; Q302-R305 CarbonylContact O-C 3.59Å; Q302-R305 WeakPolarHBondContact O-CA 3.19Å; Q302-R305 WeakPolarHBondContact O-CB 3.42Å; Q302-R305 PolarHBondContact O-N 3.18Å; Q302-E306 PolarHBondContact O-N 3.46Å |
| 303 | E | 89 | Confident | 88.3 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -50.2 | -53.2 | 172.3 | -69.6 | 169.3 | 158.1 | 0 | 0 | 111.4 | Y299 Q300 R305 E306 E307 | Y299-E303 WeakPolarHBondContact CD2-OE1 3.22Å; Y299-E303 WeakPolarHBondContact CD2-OE2 3.33Å; Y299-E303 WeakPolarHBondContact CE2-OE2 3.47Å; Y299-E303 WeakPolarHBondContact O-CG 3.43Å; Y299-E303 PolarHBondContact O-N 3.16Å; Q300-E303 WeakPolarHBondContact CA-OE2 3.2Å; E303-R305 PolarHBondContact O-N 2.87Å; E303-E306 CarbonylContact O-C 3.59Å; E303-E306 PolarHBondContact O-N 3.03Å; E303-E306 VanDerWaalsContact O-N 3.14Å; E303-E307 WeakPolarHBondContact O-CB 3.28Å; E303-E307 WeakPolarHBondContact O-CG 3.38Å; E303-E307 PolarHBondContact O-N 3.2Å |
| 304 | A | 87.9 | Confident | 88.7 | Confident | 43 Ų | 43 | 103.5 Ų | 103.5 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.1 | -19.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q300 Q302 L308 | Q300-A304 VanDerWaalsContact O-CB 3.26Å; Q300-A304 WeakPolarHBondContact O-CB 3.28Å; Q300-A304 PolarHBondContact O-N 2.98Å; Q302-A304 PolarHBondContact O-N 2.8Å; A304-L308 WeakPolarHBondContact O-CB 3.44Å; A304-L308 PolarHBondContact O-N 3.47Å |
| 305 | R | 88.7 | Confident | 89.1 | Confident | 187 Ų | 187 | 101.2 Ų | 101.2 | 71% | 0.706 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -82.3 | -40.1 | 171.3 | -79.5 | 171.9 | 175.8 | -171.6 | -1.9 | 111.4 | R301 Q302 E303 E307 L308 Q309 | R301-R305 VanDerWaalsContact O-CD 3.29Å; R301-R305 WeakPolarHBondContact O-CD 3.44Å; R301-R305 WeakPolarHBondContact O-CG 3.41Å; Q302-R305 CarbonylContact O-C 3.59Å; Q302-R305 WeakPolarHBondContact O-CA 3.19Å; Q302-R305 WeakPolarHBondContact O-CB 3.42Å; Q302-R305 PolarHBondContact O-N 3.18Å; E303-R305 PolarHBondContact O-N 2.87Å; R305-E307 VanDerWaalsContact C-N 3.35Å; R305-L308 PolarHBondContact O-N 2.72Å; R305-Q309 WeakPolarHBondContact O-CB 3.28Å; R305-Q309 PolarHBondContact O-N 3.17Å |
| 306 | E | 91.9 | Very high | 89.3 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 172.8 | -71.6 | -178.5 | -136.8 | 0 | 0 | 111.4 | Q302 E303 Q309 R310 | Q302-E306 PolarHBondContact O-N 3.46Å; E303-E306 CarbonylContact O-C 3.59Å; E303-E306 PolarHBondContact O-N 3.03Å; E303-E306 VanDerWaalsContact O-N 3.14Å; E306-Q309 PolarHBondContact O-N 3.04Å; E306-R310 VanDerWaalsContact O-CB 3.3Å; E306-R310 WeakPolarHBondContact O-CB 3.42Å; E306-R310 WeakPolarHBondContact O-CD 3.37Å; E306-R310 WeakPolarHBondContact O-CG 3.33Å; E306-R310 PolarHBondContact O-N 2.77Å; E306-R310 IonicContact OE2-CZ 2.71Å; E306-R310 IonicContact OE2-NH2 2.97Å; E306-R310 PolarHBondContact OE2-NH2 2.88Å |
| 307 | E | 92.4 | Very high | 89.2 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | 172.3 | -74.3 | 174.4 | 161.6 | 0 | 0 | 110.8 | E303 R305 Q309 R310 E311 | E303-E307 WeakPolarHBondContact O-CB 3.28Å; E303-E307 WeakPolarHBondContact O-CG 3.38Å; E303-E307 PolarHBondContact O-N 3.2Å; R305-E307 VanDerWaalsContact C-N 3.35Å; E307-Q309 VanDerWaalsContact C-N 3.29Å; E307-Q309 PolarHBondContact O-N 2.84Å; E307-R310 CarbonylContact O-C 3.58Å; E307-R310 PolarHBondContact O-N 3.4Å; E307-E311 WeakPolarHBondContact O-CG 3.21Å; E307-E311 PolarHBondContact O-N 2.68Å |
| 308 | L | 92.4 | Very high | 89 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 173.1 | 178.3 | 63.2 | 0 | 0 | 0 | 112.2 | A304 R305 E311 L312 | A304-L308 WeakPolarHBondContact O-CB 3.44Å; A304-L308 PolarHBondContact O-N 3.47Å; R305-L308 PolarHBondContact O-N 2.72Å; L308-E311 PolarHBondContact O-N 3.49Å; L308-L312 HydrophobicContact CD1-CD1 4.39Å; L308-L312 HydrophobicContact CD1-CG 4.5Å; L308-L312 HydrophobicContact CG-CD1 4.21Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.4Å; L308-L312 PolarHBondContact O-N 2.97Å |
| 309 | Q | 92.8 | Very high | 88.6 | Confident | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 176 | -174.1 | 178.5 | -38.5 | 0 | 0 | 110.9 | R305 E306 E307 E311 L312 E313 | R305-Q309 WeakPolarHBondContact O-CB 3.28Å; R305-Q309 PolarHBondContact O-N 3.17Å; E306-Q309 PolarHBondContact O-N 3.04Å; E307-Q309 VanDerWaalsContact C-N 3.29Å; E307-Q309 PolarHBondContact O-N 2.84Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.86Å; Q309-L312 CarbonylContact O-C 3.58Å; Q309-L312 PolarHBondContact O-N 3.08Å; Q309-L312 VanDerWaalsContact O-N 3.16Å; Q309-E313 HydrophobicContact CG-CG 4.33Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.25Å; Q309-E313 PolarHBondContact NE2-OE1 3.41Å; Q309-E313 WeakPolarHBondContact O-CB 3.18Å; Q309-E313 VanDerWaalsContact O-CG 3.26Å; Q309-E313 WeakPolarHBondContact O-CG 3.33Å; Q309-E313 PolarHBondContact O-N 2.92Å |
| 310 | R | 94.1 | Very high | 87.6 | Confident | 134 Ų | 134 | 107.5 Ų | 107.5 | 51% | 0.506 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 175.2 | -68.7 | 163.3 | -159.3 | 172.7 | 5.9 | 112.1 | E306 E307 F314 | E306-R310 VanDerWaalsContact O-CB 3.3Å; E306-R310 WeakPolarHBondContact O-CB 3.42Å; E306-R310 WeakPolarHBondContact O-CD 3.37Å; E306-R310 WeakPolarHBondContact O-CG 3.33Å; E306-R310 PolarHBondContact O-N 2.77Å; E306-R310 IonicContact OE2-CZ 2.71Å; E306-R310 IonicContact OE2-NH2 2.97Å; E306-R310 PolarHBondContact OE2-NH2 2.88Å; E307-R310 CarbonylContact O-C 3.58Å; E307-R310 PolarHBondContact O-N 3.4Å; R310-F314 WeakPolarHBondContact O-CB 3.46Å; R310-F314 PolarHBondContact O-N 3.2Å |
| 311 | E | 95.1 | Very high | 86.6 | Confident | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67 | -38.9 | 170.7 | -76.9 | -176.2 | 169.5 | 0 | 0 | 111.6 | E307 L308 Q309 A315 | E307-E311 WeakPolarHBondContact O-CG 3.21Å; E307-E311 PolarHBondContact O-N 2.68Å; L308-E311 PolarHBondContact O-N 3.49Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.86Å; E311-A315 VanDerWaalsContact O-CB 3.23Å; E311-A315 WeakPolarHBondContact O-CB 3.4Å; E311-A315 PolarHBondContact O-N 3.02Å |
| 312 | L | 92.1 | Very high | 85.5 | Confident | 111 Ų | 111 | 105.8 Ų | 105.8 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.2 | -38 | 175.7 | -71.2 | 168.4 | 0 | 0 | 0 | 112.5 | L308 Q309 A315 F316 | L308-L312 HydrophobicContact CD1-CD1 4.39Å; L308-L312 HydrophobicContact CD1-CG 4.5Å; L308-L312 HydrophobicContact CG-CD1 4.21Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.4Å; L308-L312 PolarHBondContact O-N 2.97Å; Q309-L312 CarbonylContact O-C 3.58Å; Q309-L312 PolarHBondContact O-N 3.08Å; Q309-L312 VanDerWaalsContact O-N 3.16Å; L312-A315 PolarHBondContact O-N 3.44Å; L312-F316 VanDerWaalsContact O-CB 3.25Å; L312-F316 WeakPolarHBondContact O-CB 3.47Å; L312-F316 PolarHBondContact O-N 2.92Å |
| 313 | E | 91 | Very high | 84.2 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 171.7 | -74.2 | 165.9 | 174.3 | 0 | 0 | 110.1 | Q309 A315 F316 E317 | Q309-E313 HydrophobicContact CG-CG 4.33Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.25Å; Q309-E313 PolarHBondContact NE2-OE1 3.41Å; Q309-E313 WeakPolarHBondContact O-CB 3.18Å; Q309-E313 VanDerWaalsContact O-CG 3.26Å; Q309-E313 WeakPolarHBondContact O-CG 3.33Å; Q309-E313 PolarHBondContact O-N 2.92Å; E313-A315 PolarHBondContact O-N 3.26Å; E313-F316 CarbonylContact O-C 3.57Å; E313-F316 WeakPolarHBondContact O-CB 3.46Å; E313-F316 PolarHBondContact O-N 2.99Å; E313-E317 WeakPolarHBondContact O-CB 3.38Å; E313-E317 WeakPolarHBondContact O-CG 3.35Å; E313-E317 PolarHBondContact O-N 3Å |
| 314 | F | 89.7 | Confident | 82.6 | Confident | 124 Ų | 124 | 112.5 Ų | 112.5 | 54% | 0.544 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.1 | -178.5 | -94.9 | 0 | 0 | 0 | 111.9 | R310 F316 E317 D318 | R310-F314 WeakPolarHBondContact O-CB 3.46Å; R310-F314 PolarHBondContact O-N 3.2Å; F314-F316 VanDerWaalsContact C-N 3.34Å; F314-F316 PolarHBondContact O-N 3.46Å; F314-E317 PolarHBondContact O-N 2.64Å; F314-D318 WeakPolarHBondContact CE1-OD2 3.33Å; F314-D318 WeakPolarHBondContact O-CB 3.33Å; F314-D318 PolarHBondContact O-N 3.26Å |
| 315 | A | 90.5 | Very high | 81.1 | Confident | 50 Ų | 50 | 121.4 Ų | 121.4 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.1 | -34.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E311 L312 E313 M319 | E311-A315 VanDerWaalsContact O-CB 3.23Å; E311-A315 WeakPolarHBondContact O-CB 3.4Å; E311-A315 PolarHBondContact O-N 3.02Å; L312-A315 PolarHBondContact O-N 3.44Å; E313-A315 PolarHBondContact O-N 3.26Å; A315-M319 WeakPolarHBondContact O-CG 3.45Å; A315-M319 PolarHBondContact O-N 3.45Å |
| 316 | F | 85.1 | Confident | 79.4 | Confident | 119 Ų | 119 | 118.7 Ų | 118.7 | 52% | 0.522 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.6 | -42.3 | 174 | -179.1 | -89.9 | 0 | 0 | 0 | 111.6 | L312 E313 F314 M319 Y320 | L312-F316 VanDerWaalsContact O-CB 3.25Å; L312-F316 WeakPolarHBondContact O-CB 3.47Å; L312-F316 PolarHBondContact O-N 2.92Å; E313-F316 CarbonylContact O-C 3.57Å; E313-F316 WeakPolarHBondContact O-CB 3.46Å; E313-F316 PolarHBondContact O-N 2.99Å; F314-F316 VanDerWaalsContact C-N 3.34Å; F314-F316 PolarHBondContact O-N 3.46Å; F316-M319 PolarHBondContact O-N 3.04Å; F316-Y320 HydrophobicContact CD1-CD2 4.12Å; F316-Y320 HydrophobicContact CD2-CD2 4.34Å; F316-Y320 HydrophobicContact CD2-CE2 4.29Å; F316-Y320 AromaticContact CE1-CD2 3.72Å; F316-Y320 HydrophobicContact CE1-CD2 3.72Å; F316-Y320 AromaticContact CE1-CE2 3.92Å; F316-Y320 HydrophobicContact CE1-CE2 3.92Å; F316-Y320 AromaticContact CE2-CD2 3.97Å; F316-Y320 HydrophobicContact CE2-CD2 3.97Å; F316-Y320 AromaticContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CG-CD2 4.41Å; F316-Y320 AromaticContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CD2 3.64Å; F316-Y320 AromaticContact CZ-CE2 3.34Å; F316-Y320 HydrophobicContact CZ-CE2 3.34Å; F316-Y320 PolarHBondContact O-N 3.29Å |
| 317 | E | 83.3 | Confident | 77.4 | Confident | 118 Ų | 118 | 123.9 Ų | 123.9 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.8 | -42.1 | 171.3 | -74.5 | -170.3 | 166 | 0 | 0 | 111.6 | E313 F314 M319 Y320 T321 | E313-E317 WeakPolarHBondContact O-CB 3.38Å; E313-E317 WeakPolarHBondContact O-CG 3.35Å; E313-E317 PolarHBondContact O-N 3Å; F314-E317 PolarHBondContact O-N 2.64Å; E317-M319 VanDerWaalsContact C-N 3.29Å; E317-M319 PolarHBondContact O-N 3.24Å; E317-Y320 PolarHBondContact O-N 3.4Å; E317-T321 WeakPolarHBondContact O-CA 3.31Å; E317-T321 VanDerWaalsContact O-CB 3.23Å; E317-T321 WeakPolarHBondContact O-CB 3.45Å; E317-T321 VanDerWaalsContact O-CG2 3.31Å; E317-T321 WeakPolarHBondContact O-CG2 3.44Å; E317-T321 PolarHBondContact O-N 3.02Å; E317-T321 PolarHBondContact O-OG1 2.81Å |
| 318 | D | 84.4 | Confident | 76 | Confident | 83 Ų | 83 | 121.4 Ų | 121.4 | 44% | 0.444 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.6 | -34.3 | 175 | -109.2 | -3.3 | 0 | 0 | 0 | 111.3 | F314 G322 | F314-D318 WeakPolarHBondContact CE1-OD2 3.33Å; F314-D318 WeakPolarHBondContact O-CB 3.33Å; F314-D318 PolarHBondContact O-N 3.26Å; D318-G322 WeakPolarHBondContact O-CA 3.32Å; D318-G322 PolarHBondContact O-N 3.42Å |
| 319 | M | 74.8 | Confident | 74 | Confident | 139 Ų | 139 | 124.7 Ų | 124.7 | 69% | 0.685 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.9 | -41.5 | 171.3 | -70.5 | -151.1 | -57.1 | 0 | 0 | 113 | A315 F316 E317 | A315-M319 WeakPolarHBondContact O-CG 3.45Å; A315-M319 PolarHBondContact O-N 3.45Å; F316-M319 PolarHBondContact O-N 3.04Å; E317-M319 VanDerWaalsContact C-N 3.29Å; E317-M319 PolarHBondContact O-N 3.24Å |
| 320 | Y | 67.4 | Low | 72 | Confident | 158 Ų | 158 | 126.8 Ų | 126.8 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.8 | -22.5 | -178.5 | -91.3 | -88.4 | 0 | 0 | 0 | 114.8 | F316 E317 | F316-Y320 HydrophobicContact CD1-CD2 4.12Å; F316-Y320 HydrophobicContact CD2-CD2 4.34Å; F316-Y320 HydrophobicContact CD2-CE2 4.29Å; F316-Y320 AromaticContact CE1-CD2 3.72Å; F316-Y320 HydrophobicContact CE1-CD2 3.72Å; F316-Y320 AromaticContact CE1-CE2 3.92Å; F316-Y320 HydrophobicContact CE1-CE2 3.92Å; F316-Y320 AromaticContact CE2-CD2 3.97Å; F316-Y320 HydrophobicContact CE2-CD2 3.97Å; F316-Y320 AromaticContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CG-CD2 4.41Å; F316-Y320 AromaticContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CD2 3.64Å; F316-Y320 AromaticContact CZ-CE2 3.34Å; F316-Y320 HydrophobicContact CZ-CE2 3.34Å; F316-Y320 PolarHBondContact O-N 3.29Å; E317-Y320 PolarHBondContact O-N 3.4Å |
| 321 | T | 66.1 | Low | 70 | Confident | 78 Ų | 78 | 126.8 Ų | 126.8 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -109.6 | -22.3 | -178.3 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | E317 E323 R324 | E317-T321 WeakPolarHBondContact O-CA 3.31Å; E317-T321 VanDerWaalsContact O-CB 3.23Å; E317-T321 WeakPolarHBondContact O-CB 3.45Å; E317-T321 VanDerWaalsContact O-CG2 3.31Å; E317-T321 WeakPolarHBondContact O-CG2 3.44Å; E317-T321 PolarHBondContact O-N 3.02Å; E317-T321 PolarHBondContact O-OG1 2.81Å; T321-E323 VanDerWaalsContact C-N 3.32Å; T321-E323 PolarHBondContact O-N 2.92Å; T321-R324 CarbonylContact O-C 3.54Å; T321-R324 WeakPolarHBondContact O-CA 3.42Å; T321-R324 PolarHBondContact O-N 3.42Å |
| 322 | G | 62.2 | Low | 68.2 | Low | 39 Ų | 39 | 124.7 Ų | 124.7 | 40% | 0.402 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D318 R324 | D318-G322 WeakPolarHBondContact O-CA 3.32Å; D318-G322 PolarHBondContact O-N 3.42Å; G322-R324 PolarHBondContact O-N 3.46Å |
| 323 | E | 58.2 | Low | 66.1 | Low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -15.7 | 171.7 | -63.4 | -161.4 | 151.3 | 0 | 0 | 113.4 | T321 | T321-E323 VanDerWaalsContact C-N 3.32Å; T321-E323 PolarHBondContact O-N 2.92Å |
| 324 | R | 54.8 | Low | 64.2 | Low | 174 Ų | 174 | 130.3 Ų | 130.3 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 26.5 | -176.1 | -67.8 | -165.2 | 174.7 | -151.4 | 1.6 | 114.7 | T321 G322 V326 | T321-R324 CarbonylContact O-C 3.54Å; T321-R324 WeakPolarHBondContact O-CA 3.42Å; T321-R324 PolarHBondContact O-N 3.42Å; G322-R324 PolarHBondContact O-N 3.46Å; R324-V326 PolarHBondContact O-N 2.89Å |
| 325 | R | 56.3 | Low | 62.1 | Low | 229 Ų | 229 | 130.3 Ų | 130.3 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | trans | -74.3 | 45.5 | 163.1 | -67.6 | -164.9 | 176.5 | -146.1 | 0.1 | 113.2 | ||||
| 326 | V | 52 | Low | 60.5 | Low | 130 Ų | 130 | 133.5 Ų | 133.5 | 79% | 0.788 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -118.7 | 128.3 | 169.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | R324 | R324-V326 PolarHBondContact O-N 2.89Š|
| 327 | K | 51.2 | Low | 59.1 | Low | 203 Ų | 203 | 136.4 Ų | 136.4 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -52.4 | 135.5 | -166.9 | -58.3 | 166 | 178.3 | 176.3 | 0 | 114.9 | ||||
| 328 | G | 61.6 | Low | 57.6 | Low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 72.6 | 137.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | L330 | G328-L330 PolarHBondContact O-N 3.39Š|
| 329 | D | 50.6 | Low | 55.6 | Low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | trans | 58.2 | 49.8 | 157 | -54.4 | -12.2 | 0 | 0 | 0 | 117.8 | ||||
| 330 | L | 52.1 | Low | 54.3 | Low | 153 Ų | 153 | 139.7 Ų | 139.7 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | trans | -121.9 | 107.4 | 146.6 | -88.9 | 94.3 | 0 | 0 | 0 | 111.1 | G328 V332 | G328-L330 PolarHBondContact O-N 3.39Å; L330-V332 PolarHBondContact O-N 3.45Å; L330-V332 VanDerWaalsContact O-N 3.17Å | ||
| 331 | V | 52 | Low | 52.7 | Low | 134 Ų | 134 | 136.8 Ų | 136.8 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -72.4 | 102.5 | 165.7 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | Q333 | V331-Q333 VanDerWaalsContact C-N 3.34Å; V331-Q333 HydrophobicContact CG1-CG 4.23Å; V331-Q333 PolarHBondContact O-N 2.92Å | ||
| 332 | V | 56.6 | Low | 51.5 | Low | 88 Ų | 88 | 139.4 Ų | 139.4 | 53% | 0.533 | 77% | 0.769 | S | S | . | * | trans | -78.2 | 86.8 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | L330 L334 | L330-V332 PolarHBondContact O-N 3.45Å; L330-V332 VanDerWaalsContact O-N 3.17Å; V332-L334 HydrophobicContact CG1-CD2 3.89Å; V332-L334 HydrophobicContact CG1-CG 4.13Å; V332-L334 PolarHBondContact O-N 3.15Å | ||
| 333 | Q | 48.3 | Very low | 50.2 | Low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 97.4 | 162.6 | -77.9 | -174.6 | -19.5 | 0 | 0 | 108.8 | V331 V335 | V331-Q333 VanDerWaalsContact C-N 3.34Å; V331-Q333 HydrophobicContact CG1-CG 4.23Å; V331-Q333 PolarHBondContact O-N 2.92Å; Q333-V335 PolarHBondContact O-N 2.92Å; Q333-V335 VanDerWaalsContact O-N 3.14Å | ||
| 334 | L | 52 | Low | 49.3 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 102.7 | 164.2 | -66.4 | 177.3 | 0 | 0 | 0 | 108.1 | V332 P336 | V332-L334 HydrophobicContact CG1-CD2 3.89Å; V332-L334 HydrophobicContact CG1-CG 4.13Å; V332-L334 PolarHBondContact O-N 3.15Å; L334-P336 WeakPolarHBondContact O-CD 3.48Å | ||
| 335 | V | 45.5 | Very low | 48.4 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75 | 120 | 169.5 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | Q333 E337 | Q333-V335 PolarHBondContact O-N 2.92Å; Q333-V335 VanDerWaalsContact O-N 3.14Å; V335-E337 PolarHBondContact O-N 3.08Å |
| 336 | P | 56.2 | Low | 47.5 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 126.5 | 177.9 | -19.6 | 33.3 | 0 | 0 | 0 | 111.1 | L334 | L334-P336 WeakPolarHBondContact O-CD 3.48Š|
| 337 | E | 54.9 | Low | 46.8 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 124 | 171.1 | -171 | 169.7 | -168 | 0 | 0 | 109.3 | V335 L339 | V335-E337 PolarHBondContact O-N 3.08Å; E337-L339 PolarHBondContact O-N 2.83Å |
| 338 | P | 52.5 | Low | 46.3 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 123.9 | -172.3 | 29.5 | -34 | 0 | 0 | 0 | 112 | ||
| 339 | L | 42.5 | Very low | 45.3 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 138.4 | 172.8 | -65.3 | 172.8 | 0 | 0 | 0 | 111.1 | E337 | E337-L339 PolarHBondContact O-N 2.83Š|
| 340 | P | 47.3 | Very low | 44.7 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 137.7 | 173.5 | 29.4 | -34 | 0 | 0 | 0 | 111.1 | ||
| 341 | A | 33.3 | Very low | 44.2 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 151.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 342 | S | 40.7 | Very low | 43.8 | Very low | 132 Ų | 132 | 133 Ų | 133 | 92% | 0.923 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136.5 | 176.2 | -42.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 343 | S | 35 | Very low | 43.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -115.7 | 125.7 | 167.4 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 344 | S | 40.3 | Very low | 42.9 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 133.8 | 172.9 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 345 | T | 35.7 | Very low | 42.4 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -156.3 | 113.8 | 156.6 | -66.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 346 | G | 37.7 | Very low | 42 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | trans | -111.8 | 150.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 347 | Q | 37.3 | Very low | 41 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -171.1 | 109.1 | 134.4 | -105.2 | 169.2 | -12.4 | 0 | 0 | 109.6 | ||||
| 348 | D | 40 | Very low | 40 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | 45.1 | 124.7 | 127.4 | -40.8 | -20.3 | 0 | 0 | 0 | 119 | |||||
| 349 | L | 41.4 | Very low | 39 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | -170.7 | 116.3 | 108.6 | -94.5 | 166.7 | 0 | 0 | 0 | 111.7 | |||||
| 350 | D | 37.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | 65.6 | 111.6 | 142.9 | -59.7 | -4.5 | 0 | 0 | 0 | 123.6 | ||||
| 351 | L | 40 | Very low | 38.1 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 76.5 | 93.6 | 130.4 | -59.3 | 169.2 | 0 | 0 | 0 | 120.7 | ||||
| 352 | D | 44.2 | Very low | 38.1 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 43 | 150.9 | 106.4 | -60.7 | -9.6 | 0 | 0 | 0 | 122.1 | |||||
| 353 | P | 48.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -131.1 | -154.7 | -4.6 | 37 | -16.1 | 0 | 0 | 0 | 113.3 | ||||
| 354 | D | 37.5 | Very low | 37.8 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 74.3 | 86.4 | 166.6 | -63.8 | -0.3 | 0 | 0 | 0 | 117.7 | ||||
| 355 | R | 41.6 | Very low | 37.4 | Very low | 232 Ų | 232 | 140.3 Ų | 140.3 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | -176.9 | 88.9 | 104.6 | -169.5 | 176.2 | -163.1 | 120.1 | 5.2 | 112.9 | |||||
| 356 | D | 37.8 | Very low | 37.3 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -68.5 | 154.1 | 173.5 | -46 | -62.4 | 0 | 0 | 0 | 112.5 | ||||
| 357 | L | 34.1 | Very low | 37.8 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | -154.1 | 57.6 | 171.9 | -137.3 | 168.4 | 0 | 0 | 0 | 110.9 | V359 | L357-V359 PolarHBondContact O-N 2.82Š| ||
| 358 | D | 33.8 | Very low | 37.4 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -59.7 | 132.5 | 176.9 | -77.2 | -35.6 | 0 | 0 | 0 | 112.7 | ||||
| 359 | V | 33.2 | Very low | 37 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | -136.7 | 87.8 | 155.3 | -177.3 | 0 | 0 | 0 | 0 | 107 | L357 V361 | L357-V359 PolarHBondContact O-N 2.82Å; V359-V361 PolarHBondContact O-N 3.2Å | ||
| 360 | T | 34.3 | Very low | 36.6 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 125.4 | 176.4 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 361 | V | 36.3 | Very low | 36.2 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -131.2 | 100.6 | 165.2 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | V359 | V359-V361 PolarHBondContact O-N 3.2Š| ||
| 362 | D | 32.1 | Very low | 35.9 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -83.8 | 132.7 | 175.4 | -65.7 | -53 | 0 | 0 | 0 | 110.4 | ||||
| 363 | E | 37.4 | Very low | 35.4 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -119 | 124.7 | 164.9 | -73.1 | -165.1 | 150.2 | 0 | 0 | 110.3 | ||||
| 364 | N | 32.2 | Very low | 34.5 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 48.3 | 116.8 | 147.6 | -53.3 | -38.6 | 0 | 0 | 0 | 120.4 | ||||
| 365 | A | 31.1 | Very low | 34.1 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -143.5 | 97.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 366 | E | 34.8 | Very low | 33.9 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -100.1 | 162.5 | 145.8 | -90.1 | -171.2 | -159.9 | 0 | 0 | 106.6 | ||||
| 367 | P | 47.9 | Very low | 33.8 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | cis | -145.4 | -162.6 | 31.3 | 31.3 | -4.6 | 0 | 0 | 0 | 116.2 | ||||
| 368 | E | 30 | Very low | 33.6 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 97.8 | 147.6 | 155.7 | -47.4 | -154.2 | 159.8 | 0 | 0 | 118.7 | ||||
| 369 | A | 31.6 | Very low | 33.6 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -103.1 | 168.3 | -156.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 370 | E | 32.9 | Very low | 33.4 | Very low | 204 Ų | 204 | 146 Ų | 146 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | -157.3 | 163.7 | 123.6 | -116.5 | 175.8 | -157 | 0 | 0 | 113.3 | |||||
| 371 | N | 29.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -114.7 | 136.8 | -162.1 | 123.8 | 77.3 | 0 | 0 | 0 | 113.1 | ||||
| 372 | I | 33.7 | Very low | 33.1 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -141.8 | 109.5 | 161.6 | -56.6 | -176.9 | 0 | 0 | 0 | 110.2 | ||||
| 373 | Q | 32.6 | Very low | 33.1 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | 23.1 | 156.1 | 124.6 | -54 | 171.6 | 8.5 | 0 | 0 | 119.5 | |||||
| 374 | N | 30.2 | Very low | 32.7 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | cis | 179.3 | 149.6 | -23.2 | -98.2 | -11.6 | 0 | 0 | 0 | 105.6 | ||||
| 375 | E | 30.1 | Very low | 32.6 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 154.5 | 122.7 | 157.9 | -91.2 | 165.1 | -156.1 | 0 | 0 | 107.7 | ||||
| 376 | V | 36.5 | Very low | 32.6 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | cis | 71.7 | 120.2 | 28.7 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 377 | E | 36.8 | Very low | 32.5 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | cis | -149.2 | 177.9 | 15.1 | -141.4 | 150.6 | -124.9 | 0 | 0 | 111.5 | ||||
| 378 | G | 29.9 | Very low | 31.7 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 170.3 | 61.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 379 | E | 32.3 | Very low | 31.5 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | -75.9 | 161.4 | 178.4 | -51 | -173.9 | 140.1 | 0 | 0 | 113.8 | ||||
| 380 | Q | 29.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 176 | 136.5 | 104.2 | -165 | 129.4 | 73.5 | 0 | 0 | 111.9 | |||||
| 381 | E | 34.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -94.9 | -157.8 | 173.5 | -59.7 | -167.2 | 124.4 | 0 | 0 | 112.6 | ||||
| 382 | V | 30.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | 103.5 | 135.9 | 163.3 | -178.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 383 | A | 32.4 | Very low | 31.4 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 57% | 0.57 | 76% | 0.757 | S | S | * | * | cis | -171.7 | 165.2 | -30.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 384 | D | 28 | Very low | 31.2 | Very low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | 55 | 155.7 | 153.8 | -52.4 | -28.3 | 0 | 0 | 0 | 120.9 | ||||
| 385 | G | 30.5 | Very low | 31 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | -159.5 | 153.9 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 386 | E | 31.6 | Very low | 31.2 | Very low | 157 Ų | 157 | 139 Ų | 139 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | 59.9 | 136.5 | 87.2 | -67.8 | -148.1 | 142.9 | 0 | 0 | 114.9 | |||||
| 387 | R | 33.3 | Very low | 30.9 | Very low | 209 Ų | 209 | 138 Ų | 138 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | cis | -161 | 177.9 | 11.6 | -111.2 | 177 | -132.9 | -175.4 | 5.5 | 107.3 | ||||
| 388 | S | 30.6 | Very low | 30.7 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -172.2 | -170.8 | -6.2 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 389 | F | 25.1 | Very low | 30.7 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 74.9 | 146.8 | 169.3 | -93.3 | -121.5 | 0 | 0 | 0 | 116.8 | ||||
| 390 | E | 30.2 | Very low | 30.7 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -146.6 | 142.6 | 6.3 | -168.2 | 162.6 | -142.1 | 0 | 0 | 114.8 | ||||
| 391 | S | 34.7 | Very low | 31.5 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 21.6 | 138.4 | 155.1 | -53.5 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 392 | A | 30.4 | Very low | 31.5 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | 70.9 | 151.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 393 | S | 29.7 | Very low | 31.7 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | 171.7 | 128.9 | -44.4 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 394 | R | 28.3 | Very low | 31.7 | Very low | 216 Ų | 216 | 134.7 Ų | 134.7 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | 172.5 | 133.5 | 138.5 | -102.3 | 170.3 | 179.8 | 164.9 | 4.2 | 113.9 | ||||
| 395 | F | 27.4 | Very low | 32.3 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 57.1 | 125.8 | 152.1 | -59.7 | -50.7 | 0 | 0 | 0 | 118.9 | ||||
| 396 | T | 32.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -163.3 | 154.8 | -5.7 | -19.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 397 | S | 31.1 | Very low | 34.6 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | 35 | 128.5 | 148.8 | 56.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 398 | N | 32.9 | Very low | 36 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | cis | -156.6 | 145.2 | 18.4 | -99.2 | -13 | 0 | 0 | 0 | 114.4 | ||||
| 399 | S | 28.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | 39.7 | 105.6 | 149.3 | 60.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 400 | L | 33.2 | Very low | 39.9 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -53.9 | 177.1 | 141.5 | -90.5 | 70.3 | 0 | 0 | 0 | 112.5 | ||||
| 401 | P | 46.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | cis | -123.1 | -159.2 | 11.2 | 42 | -23.6 | 0 | 0 | 0 | 112.2 | ||||
| 402 | A | 33 | Very low | 44.4 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | cis | -152.6 | 174.1 | 7.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 403 | D | 35 | Very low | 46.9 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | trans | -99.2 | 156.2 | 176.4 | -69.9 | -74.5 | 0 | 0 | 0 | 114.5 | ||||
| 404 | V | 32.5 | Very low | 49.5 | Very low | 126 Ų | 126 | 128 Ų | 128 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | 174.7 | 108.2 | 122 | 160.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 405 | T | 39.9 | Very low | 52.3 | Low | 92 Ų | 92 | 121.3 Ų | 121.3 | 56% | 0.564 | 67% | 0.67 | S | S | * | * | trans | -147 | 82.1 | 166 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | P407 | T405-P407 WeakPolarHBondContact O-CD 3.49Š| ||
| 406 | P | 55 | Low | 55 | Low | 118 Ų | 118 | 116.4 Ų | 116.4 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 26.7 | 175.6 | 35.7 | -36.3 | 0 | 0 | 0 | 118.4 | ||
| 407 | P | 57.1 | Low | 57.6 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -23.6 | 162.5 | 35.2 | -30.4 | 0 | 0 | 0 | 113.3 | T405 H409 A410 L411 | T405-P407 WeakPolarHBondContact O-CD 3.49Å; P407-H409 PolarHBondContact O-N 2.85Å; P407-A410 PolarHBondContact O-N 3.38Å; P407-L411 PolarHBondContact O-N 3.47Å |
| 408 | R | 62.4 | Low | 60.1 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 67% | 0.672 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.4 | -29.2 | -169.6 | -77.5 | 179.4 | 168.1 | 162.9 | -3.2 | 113.6 | R412 | R408-R412 VanDerWaalsContact O-CB 3.26Å; R408-R412 WeakPolarHBondContact O-CB 3.38Å; R408-R412 PolarHBondContact O-N 2.88Å |
| 409 | H | 67.3 | Low | 62.5 | Low | 116 Ų | 116 | 119.2 Ų | 119.2 | 54% | 0.537 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.6 | -35.5 | 178.7 | -163.7 | -10 | 0 | 0 | 0 | 112.4 | P407 R412 K413 | P407-H409 PolarHBondContact O-N 2.85Å; H409-R412 PolarHBondContact O-N 3.49Å; H409-K413 WeakPolarHBondContact CE1-CE 3.44Å; H409-K413 PolarHBondContact NE2-NZ 2.93Å; H409-K413 WeakPolarHBondContact O-CB 3.28Å; H409-K413 PolarHBondContact O-N 3.28Å |
| 410 | A | 70.6 | Confident | 64.8 | Low | 69 Ų | 69 | 116 Ų | 116 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.6 | -48.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | P407 R412 K413 L414 | P407-A410 PolarHBondContact O-N 3.38Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 2.97Å; A410-K413 PolarHBondContact O-N 3.04Å; A410-L414 WeakPolarHBondContact O-CB 3.23Å; A410-L414 PolarHBondContact O-N 3.5Å |
| 411 | L | 76.1 | Confident | 66.8 | Low | 103 Ų | 103 | 113.2 Ų | 113.2 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.7 | -41.5 | 174.6 | -174.5 | 69.1 | 0 | 0 | 0 | 112 | P407 L414 L415 | P407-L411 PolarHBondContact O-N 3.47Å; L411-L414 PolarHBondContact O-N 3.02Å; L411-L415 HydrophobicContact CD1-CD1 4.44Å; L411-L415 HydrophobicContact CG-CD1 3.99Å; L411-L415 HydrophobicContact CG-CG 4.45Å; L411-L415 WeakPolarHBondContact O-CB 3.41Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.2Å; L411-L415 PolarHBondContact O-N 3.14Å |
| 412 | R | 82 | Confident | 68.1 | Low | 176 Ų | 176 | 116.2 Ų | 116.2 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.7 | -45.5 | 178.3 | -162.4 | 169.7 | -170 | 165.8 | 3.2 | 111.6 | R408 H409 A410 L414 L415 D416 | R408-R412 VanDerWaalsContact O-CB 3.26Å; R408-R412 WeakPolarHBondContact O-CB 3.38Å; R408-R412 PolarHBondContact O-N 2.88Å; H409-R412 PolarHBondContact O-N 3.49Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 2.97Å; R412-L414 VanDerWaalsContact C-N 3.32Å; R412-L414 PolarHBondContact O-N 3.18Å; R412-L415 PolarHBondContact O-N 3.42Å; R412-D416 WeakPolarHBondContact CG-OD2 3.24Å; R412-D416 WeakPolarHBondContact O-CB 3.43Å; R412-D416 VanDerWaalsContact O-CG 3.26Å; R412-D416 PolarHBondContact O-N 3.08Å |
| 413 | K | 84.3 | Confident | 69.9 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.5 | -41.9 | 171.7 | -88.3 | 167.7 | 167.3 | 155.8 | 0 | 112 | H409 A410 R417 | H409-K413 WeakPolarHBondContact CE1-CE 3.44Å; H409-K413 PolarHBondContact NE2-NZ 2.93Å; H409-K413 WeakPolarHBondContact O-CB 3.28Å; H409-K413 PolarHBondContact O-N 3.28Å; A410-K413 PolarHBondContact O-N 3.04Å; K413-R417 WeakPolarHBondContact O-CB 3.43Å; K413-R417 PolarHBondContact O-N 3.31Å |
| 414 | L | 82.6 | Confident | 71.6 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 52% | 0.518 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -48.4 | 176 | -178.5 | 66.8 | 0 | 0 | 0 | 111.9 | A410 L411 R412 D416 R417 I418 | A410-L414 WeakPolarHBondContact O-CB 3.23Å; A410-L414 PolarHBondContact O-N 3.5Å; L411-L414 PolarHBondContact O-N 3.02Å; R412-L414 VanDerWaalsContact C-N 3.32Å; R412-L414 PolarHBondContact O-N 3.18Å; L414-D416 PolarHBondContact O-N 3.1Å; L414-R417 WeakPolarHBondContact O-CB 3.49Å; L414-R417 PolarHBondContact O-N 2.9Å; L414-I418 HydrophobicContact CD1-CD1 4.24Å; L414-I418 HydrophobicContact CG-CD1 3.95Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 2.97Å |
| 415 | L | 87.3 | Confident | 72.9 | Confident | 77 Ų | 77 | 117.3 Ų | 117.3 | 40% | 0.403 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -38.4 | 179.1 | -71.1 | 171.4 | 0 | 0 | 0 | 112.2 | L411 R412 I418 R419 | L411-L415 HydrophobicContact CD1-CD1 4.44Å; L411-L415 HydrophobicContact CG-CD1 3.99Å; L411-L415 HydrophobicContact CG-CG 4.45Å; L411-L415 WeakPolarHBondContact O-CB 3.41Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.2Å; L411-L415 PolarHBondContact O-N 3.14Å; R412-L415 PolarHBondContact O-N 3.42Å; L415-I418 PolarHBondContact O-N 2.94Å; L415-R419 WeakPolarHBondContact O-CB 3.47Å; L415-R419 WeakPolarHBondContact O-CD 3.3Å; L415-R419 WeakPolarHBondContact O-CG 3.29Å; L415-R419 PolarHBondContact O-N 3.32Å |
| 416 | D | 85.8 | Confident | 74.1 | Confident | 68 Ų | 68 | 118.5 Ų | 118.5 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.1 | -29.9 | 177 | -64.2 | -31.3 | 0 | 0 | 0 | 111.8 | R412 L414 R419 S420 | R412-D416 WeakPolarHBondContact CG-OD2 3.24Å; R412-D416 WeakPolarHBondContact O-CB 3.43Å; R412-D416 VanDerWaalsContact O-CG 3.26Å; R412-D416 PolarHBondContact O-N 3.08Å; L414-D416 PolarHBondContact O-N 3.1Å; D416-R419 PolarHBondContact O-N 2.94Å; D416-R419 IonicContact OD1-CZ 3.66Å; D416-R419 IonicContact OD1-NH1 2.67Å; D416-R419 PolarHBondContact OD1-NH1 3.43Å; D416-S420 PolarHBondContact O-N 3.2Å |
| 417 | R | 86.6 | Confident | 74.1 | Confident | 172 Ų | 172 | 116.8 Ų | 116.8 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68 | -40.5 | 168.5 | -169.6 | 75.8 | 166.2 | -151.1 | -1.5 | 112.3 | K413 L414 R419 S420 Q421 | K413-R417 WeakPolarHBondContact O-CB 3.43Å; K413-R417 PolarHBondContact O-N 3.31Å; L414-R417 WeakPolarHBondContact O-CB 3.49Å; L414-R417 PolarHBondContact O-N 2.9Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-S420 PolarHBondContact O-N 3.45Å; R417-S420 PolarHBondContact O-OG 2.93Å; R417-S420 VanDerWaalsContact O-OG 3.12Å; R417-Q421 WeakPolarHBondContact O-CB 3.29Å; R417-Q421 WeakPolarHBondContact O-CG 3.15Å; R417-Q421 PolarHBondContact O-N 3.44Å |
| 418 | I | 83.4 | Confident | 73.7 | Confident | 86 Ų | 86 | 115.4 Ų | 115.4 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -38.7 | 173.8 | -70.6 | 164.4 | 0 | 0 | 0 | 110.3 | L414 L415 R422 | L414-I418 HydrophobicContact CD1-CD1 4.24Å; L414-I418 HydrophobicContact CG-CD1 3.95Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 2.97Å; L415-I418 PolarHBondContact O-N 2.94Å; I418-R422 VanDerWaalsContact O-CB 3.3Å; I418-R422 WeakPolarHBondContact O-CB 3.49Å; I418-R422 PolarHBondContact O-N 3.27Å |
| 419 | R | 82.6 | Confident | 72.9 | Confident | 158 Ų | 158 | 112.1 Ų | 112.1 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -45.2 | 174 | -73.4 | 160.2 | 178.9 | -174 | -6.8 | 111.9 | L415 D416 R417 R422 T423 | L415-R419 WeakPolarHBondContact O-CB 3.47Å; L415-R419 WeakPolarHBondContact O-CD 3.3Å; L415-R419 WeakPolarHBondContact O-CG 3.29Å; L415-R419 PolarHBondContact O-N 3.32Å; D416-R419 PolarHBondContact O-N 2.94Å; D416-R419 IonicContact OD1-CZ 3.66Å; D416-R419 IonicContact OD1-NH1 2.67Å; D416-R419 PolarHBondContact OD1-NH1 3.43Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R419-R422 PolarHBondContact O-N 3.5Å; R419-T423 PolarHBondContact O-N 3Å; R419-T423 PolarHBondContact O-OG1 2.94Å |
| 420 | S | 78.1 | Confident | 71.7 | Confident | 44 Ų | 44 | 111.7 Ų | 111.7 | 31% | 0.308 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -51.6 | 177 | 83.3 | 0 | 0 | 0 | 0 | 110.5 | D416 R417 R422 T423 D424 | D416-S420 PolarHBondContact O-N 3.2Å; R417-S420 PolarHBondContact O-N 3.45Å; R417-S420 PolarHBondContact O-OG 2.93Å; R417-S420 VanDerWaalsContact O-OG 3.12Å; S420-R422 PolarHBondContact O-N 3.12Å; S420-R422 VanDerWaalsContact O-N 3.12Å; S420-T423 WeakPolarHBondContact CA-OG1 3.46Å; S420-T423 CarbonylContact O-C 3.5Å; S420-T423 PolarHBondContact O-N 3.32Å; S420-T423 PolarHBondContact O-OG1 2.87Å; S420-D424 VanDerWaalsContact C-OD2 3.27Å; S420-D424 WeakPolarHBondContact O-CB 3.39Å; S420-D424 PolarHBondContact O-N 3.47Å; S420-D424 VanDerWaalsContact O-OD2 3.05Å |
| 421 | Q | 74.2 | Confident | 69.9 | Low | 105 Ų | 105 | 119.5 Ų | 119.5 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.1 | -36.4 | 176.1 | -75.2 | -179.9 | -47.8 | 0 | 0 | 112.6 | R417 D424 W425 | R417-Q421 WeakPolarHBondContact O-CB 3.29Å; R417-Q421 WeakPolarHBondContact O-CG 3.15Å; R417-Q421 PolarHBondContact O-N 3.44Å; Q421-D424 PolarHBondContact O-N 3.33Å; Q421-W425 WeakPolarHBondContact O-CB 3.32Å; Q421-W425 VanDerWaalsContact O-CD1 3.25Å; Q421-W425 PolarHBondContact O-N 3.34Å |
| 422 | R | 73.6 | Confident | 68.2 | Low | 185 Ų | 185 | 121.2 Ų | 121.2 | 70% | 0.698 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -40.8 | 174.4 | -175.5 | 173.4 | 178.4 | 166.3 | 1.1 | 112.8 | I418 R419 S420 D424 I426 | I418-R422 VanDerWaalsContact O-CB 3.3Å; I418-R422 WeakPolarHBondContact O-CB 3.49Å; I418-R422 PolarHBondContact O-N 3.27Å; R419-R422 PolarHBondContact O-N 3.5Å; S420-R422 PolarHBondContact O-N 3.12Å; S420-R422 VanDerWaalsContact O-N 3.12Å; R422-D424 VanDerWaalsContact C-N 3.35Å; R422-I426 HydrophobicContact CG-CD1 3.95Å; R422-I426 WeakPolarHBondContact O-CB 3.31Å; R422-I426 WeakPolarHBondContact O-CD1 3.33Å; R422-I426 WeakPolarHBondContact O-CG1 3.33Å; R422-I426 PolarHBondContact O-N 2.94Å; R422-I426 VanDerWaalsContact O-N 3.08Å |
| 423 | T | 71.9 | Confident | 66.1 | Low | 83 Ų | 83 | 117.9 Ų | 117.9 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.4 | -32 | 173.7 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | R419 S420 I426 S427 | R419-T423 PolarHBondContact O-N 3Å; R419-T423 PolarHBondContact O-OG1 2.94Å; S420-T423 WeakPolarHBondContact CA-OG1 3.46Å; S420-T423 CarbonylContact O-C 3.5Å; S420-T423 PolarHBondContact O-N 3.32Å; S420-T423 PolarHBondContact O-OG1 2.87Å; T423-I426 PolarHBondContact O-N 3.26Å; T423-S427 WeakPolarHBondContact O-CB 3.34Å; T423-S427 PolarHBondContact O-N 2.96Å; T423-S427 PolarHBondContact O-OG 3.01Å |
| 424 | D | 70.1 | Confident | 64.1 | Low | 91 Ų | 91 | 117 Ų | 117 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.4 | -42.5 | 177.2 | -56.4 | -24.3 | 0 | 0 | 0 | 110.1 | S420 Q421 R422 S427 G428 | S420-D424 VanDerWaalsContact C-OD2 3.27Å; S420-D424 WeakPolarHBondContact O-CB 3.39Å; S420-D424 PolarHBondContact O-N 3.47Å; S420-D424 VanDerWaalsContact O-OD2 3.05Å; Q421-D424 PolarHBondContact O-N 3.33Å; R422-D424 VanDerWaalsContact C-N 3.35Å; D424-S427 PolarHBondContact O-N 2.99Å; D424-S427 PolarHBondContact O-OG 2.91Å; D424-G428 PolarHBondContact O-N 3.5Å |
| 425 | W | 59.6 | Low | 61.7 | Low | 224 Ų | 224 | 117.5 Ų | 117.5 | 85% | 0.848 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.4 | -43.5 | 170.7 | -91.1 | 64.5 | 0 | 0 | 0 | 112.9 | Q421 | Q421-W425 WeakPolarHBondContact O-CB 3.32Å; Q421-W425 VanDerWaalsContact O-CD1 3.25Å; Q421-W425 PolarHBondContact O-N 3.34Å |
| 426 | I | 64.9 | Low | 59.1 | Low | 117 Ų | 117 | 119.8 Ų | 119.8 | 60% | 0.6 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.7 | -35.3 | -179.9 | -70.4 | 165.8 | 0 | 0 | 0 | 111.7 | R422 T423 | R422-I426 HydrophobicContact CG-CD1 3.95Å; R422-I426 WeakPolarHBondContact O-CB 3.31Å; R422-I426 WeakPolarHBondContact O-CD1 3.33Å; R422-I426 WeakPolarHBondContact O-CG1 3.33Å; R422-I426 PolarHBondContact O-N 2.94Å; R422-I426 VanDerWaalsContact O-N 3.08Å; T423-I426 PolarHBondContact O-N 3.26Å |
| 427 | S | 56.4 | Low | 56.5 | Low | 82 Ų | 82 | 123.4 Ų | 123.4 | 57% | 0.573 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -83.7 | -25.8 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | T423 D424 S429 | T423-S427 WeakPolarHBondContact O-CB 3.34Å; T423-S427 PolarHBondContact O-N 2.96Å; T423-S427 PolarHBondContact O-OG 3.01Å; D424-S427 PolarHBondContact O-N 2.99Å; D424-S427 PolarHBondContact O-OG 2.91Å; S427-S429 PolarHBondContact O-N 3.3Å |
| 428 | G | 48 | Very low | 54 | Low | 57 Ų | 57 | 120 Ų | 120 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.6 | -20.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | D424 S430 | D424-G428 PolarHBondContact O-N 3.5Å; G428-S430 PolarHBondContact O-N 3.37Å |
| 429 | S | 45.1 | Very low | 51.9 | Low | 109 Ų | 109 | 124.1 Ų | 124.1 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 7.8 | 179.4 | -165.5 | 0 | 0 | 0 | 0 | 115.2 | S427 | S427-S429 PolarHBondContact O-N 3.3Š|
| 430 | S | 41.5 | Very low | 49.9 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | trans | -131.1 | 63.1 | -176.5 | -163.5 | 0 | 0 | 0 | 0 | 112.6 | G428 | G428-S430 PolarHBondContact O-N 3.37Š| ||
| 431 | R | 34 | Very low | 48.1 | Very low | 232 Ų | 232 | 129.5 Ų | 129.5 | 88% | 0.875 | 71% | 0.71 | S | S | * | * | trans | -155.1 | 108.3 | 161.9 | -162.9 | 168.4 | -67.1 | -150.2 | 0.4 | 112.5 | ||||
| 432 | V | 39.3 | Very low | 46.8 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | -99.4 | 129.1 | 168.8 | 172.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 433 | P | 38.4 | Very low | 45 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | -154.9 | -170.2 | 92.2 | 41.3 | -21.3 | 0 | 0 | 0 | 114.4 | |||||
| 434 | P | 42 | Very low | 43.3 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | -123.9 | 171.6 | -53.9 | 36.7 | -22.9 | 0 | 0 | 0 | 112.9 | |||||
| 435 | S | 33 | Very low | 41.7 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -4.4 | 135.7 | 163.8 | -42.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 436 | V | 32.2 | Very low | 40.4 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | 173.6 | 126.3 | 107 | 154.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 437 | D | 31.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | 63 | 145.3 | 154.8 | -57 | -6.4 | 0 | 0 | 0 | 126.3 | ||||
| 438 | S | 34.9 | Very low | 38 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 75.4 | 99.3 | 155.8 | -65.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 439 | E | 38.7 | Very low | 37.2 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 54.3 | 104.8 | 121.5 | -64.9 | 169.2 | -150.2 | 0 | 0 | 120.7 | |||||
| 440 | L | 40 | Very low | 36.7 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | 175 | 126.9 | 111.2 | -92.3 | 161.8 | 0 | 0 | 0 | 112.4 | |||||
| 441 | I | 41.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -99.2 | 139.1 | 176.9 | -71.6 | 171.8 | 0 | 0 | 0 | 106.3 | ||||
| 442 | P | 46.5 | Very low | 36.1 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | -146.8 | 154.8 | 68.2 | 38.7 | -18.1 | 0 | 0 | 0 | 120.2 | |||||
| 443 | E | 35.6 | Very low | 35.8 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | -59.2 | 163.8 | 170.5 | -60.1 | 147.4 | 159.1 | 0 | 0 | 113.4 | ||||
| 444 | R | 35.7 | Very low | 35.5 | Very low | 236 Ų | 236 | 141.6 Ų | 141.6 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -150 | 70.6 | 169.7 | -135.3 | -171.6 | -168.5 | 120.2 | 0.8 | 111.9 | M446 | R444-M446 PolarHBondContact O-N 3.5Š| ||
| 445 | D | 36 | Very low | 35.4 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -66.7 | 128.4 | 172.2 | -86.1 | -28.4 | 0 | 0 | 0 | 111.6 | S447 | D445-S447 PolarHBondContact O-N 3.18Š| ||
| 446 | M | 32.8 | Very low | 35.2 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -98.2 | 72.2 | 173 | -76.9 | -67.8 | -56.6 | 0 | 0 | 109.3 | R444 I448 | R444-M446 PolarHBondContact O-N 3.5Å; M446-I448 HydrophobicContact CE-CD1 4.37Å; M446-I448 HydrophobicContact CE-CG1 4.43Å; M446-I448 PolarHBondContact O-N 3.29Å | ||
| 447 | S | 31.4 | Very low | 35.2 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -69 | 109.2 | 167 | 49 | 0 | 0 | 0 | 0 | 109.5 | D445 | D445-S447 PolarHBondContact O-N 3.18Š| ||
| 448 | I | 39.1 | Very low | 35.4 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 70% | 0.697 | 81% | 0.813 | S | S | * | * | trans | -101.1 | 125.5 | 170.1 | -64.4 | -178.7 | 0 | 0 | 0 | 108.1 | M446 T450 | M446-I448 HydrophobicContact CE-CD1 4.37Å; M446-I448 HydrophobicContact CE-CG1 4.43Å; M446-I448 PolarHBondContact O-N 3.29Å; I448-T450 PolarHBondContact O-N 3.47Å | ||
| 449 | E | 31.5 | Very low | 35.1 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -67 | 121.3 | -177.9 | -59.1 | 167 | 119.5 | 0 | 0 | 110.9 | ||||
| 450 | T | 35.1 | Very low | 34.8 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -102.3 | 98.5 | 165.3 | -55.9 | 0 | 0 | 0 | 0 | 108.3 | I448 S452 | I448-T450 PolarHBondContact O-N 3.47Å; T450-S452 PolarHBondContact O-N 2.84Å | ||
| 451 | G | 32 | Very low | 34.8 | Very low | 69 Ų | 69 | 143.5 Ų | 143.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -66.7 | 113 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L453 | G451-L453 PolarHBondContact O-N 2.93Š| ||
| 452 | S | 29.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -72.1 | 119.8 | 168.2 | -174 | 0 | 0 | 0 | 0 | 109.6 | T450 | T450-S452 PolarHBondContact O-N 2.84Š| ||
| 453 | L | 34.7 | Very low | 33.3 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -109.1 | 135.5 | 170.5 | -71.7 | 178.4 | 0 | 0 | 0 | 110.2 | G451 | G451-L453 PolarHBondContact O-N 2.93Š| ||
| 454 | T | 30.3 | Very low | 33 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -71 | 149.2 | 177.4 | 45.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 455 | P | 40.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -80.3 | 140.5 | 177.3 | 33 | -34.2 | 0 | 0 | 0 | 112.2 | ||||
| 456 | E | 29.8 | Very low | 32.4 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -126.2 | 159.8 | 155.1 | -93.3 | -163.7 | 128.1 | 0 | 0 | 109.8 | ||||
| 457 | A | 30.8 | Very low | 32.5 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -96.8 | 158 | -159.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 458 | L | 36.7 | Very low | 32.5 | Very low | 185 Ų | 185 | 138 Ų | 138 | 97% | 0.969 | 82% | 0.819 | S | S | * | * | 174.5 | 139.4 | 117.6 | -91.1 | 162.7 | 0 | 0 | 0 | 110.5 | |||||
| 459 | G | 27.3 | Very low | 32.7 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | 159.9 | 72.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 460 | E | 33 | Very low | 32.5 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -65.4 | 154.2 | 162 | -104.6 | -176.5 | -154 | 0 | 0 | 111 | ||||
| 461 | P | 40.7 | Very low | 32.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | -151.7 | 140.7 | 60.5 | 39 | -17.6 | 0 | 0 | 0 | 119.9 | |||||
| 462 | A | 26.6 | Very low | 34 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | 63.7 | 160.8 | 128.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 463 | V | 29.2 | Very low | 34.7 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | 75.4 | 96.3 | 161.7 | -149.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 464 | R | 30.6 | Very low | 35.1 | Very low | 244 Ų | 244 | 135.4 Ų | 135.4 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | -164.5 | 157 | 103.9 | -99.7 | 168 | -163 | -157.5 | 0.9 | 112.6 | |||||
| 465 | A | 31.2 | Very low | 35.6 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -72 | 145.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 466 | A | 28 | Very low | 35.1 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -86.9 | 152.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 467 | V | 33.2 | Very low | 36 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -135.9 | 135.9 | 168 | 175.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 468 | E | 32.8 | Very low | 36.8 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -145.8 | 167.8 | 178.8 | -115.4 | -168.6 | -135.3 | 0 | 0 | 108.4 | ||||
| 469 | P | 43.2 | Very low | 37.5 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | cis | -130.4 | 168.4 | -15.2 | 37.2 | -22.5 | 0 | 0 | 0 | 113.1 | ||||
| 470 | T | 26.6 | Very low | 38.8 | Very low | 145 Ų | 145 | 133 Ų | 133 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -155.4 | 138.3 | 157.3 | -39.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 471 | E | 33.4 | Very low | 39.9 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -151.4 | 172.7 | 179.8 | -113.5 | -155.7 | 173.6 | 0 | 0 | 108.8 | ||||
| 472 | P | 65 | Low | 40.6 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | -120.6 | -173.2 | -53 | 38.6 | -22.1 | 0 | 0 | 0 | 109.4 | |||||
| 473 | P | 44.4 | Very low | 42 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -159.7 | -163.8 | 85.3 | 41.6 | -19.7 | 0 | 0 | 0 | 114.2 | |||||
| 474 | P | 42.9 | Very low | 43.4 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | -117.4 | -177.7 | -52.5 | 33.9 | -17.6 | 0 | 0 | 0 | 112.3 | |||||
| 475 | A | 41.1 | Very low | 44.8 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | trans | -73 | 156.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 476 | A | 31.2 | Very low | 46.7 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | -142.5 | 135.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 477 | E | 47.4 | Very low | 48.9 | Very low | 169 Ų | 169 | 123.1 Ų | 123.1 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -81.3 | 126.4 | 179.7 | -64.5 | 175.6 | 152.9 | 0 | 0 | 110.4 | R110 | R110-E477 IonicContact NH1-OE1 3.26Š| ||
| 478 | P | 48.2 | Very low | 50.9 | Low | 122 Ų | 122 | 120.1 Ų | 120.1 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | trans | -86 | 114.1 | 174.7 | 32 | -30.8 | 0 | 0 | 0 | 111 | ||||
| 479 | S | 51.8 | Low | 53 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 143.6 | 165 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | P481 | S479-P481 VanDerWaalsContact O-CD 3.29Å; S479-P481 WeakPolarHBondContact O-CD 3.27Å |
| 480 | L | 54.8 | Low | 54.7 | Low | 158 Ų | 158 | 118.2 Ų | 118.2 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 120 | -177.6 | -69.6 | 174.5 | 0 | 0 | 0 | 111 | ||
| 481 | P | 56.5 | Low | 57.4 | Low | 67 Ų | 67 | 113.3 Ų | 113.3 | 44% | 0.435 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 149.3 | -178.3 | -21.9 | 34.3 | 0 | 0 | 0 | 112.9 | S479 E483 F484 | S479-P481 VanDerWaalsContact O-CD 3.29Å; S479-P481 WeakPolarHBondContact O-CD 3.27Å; P481-E483 HydrophobicContact CB-CB 4.28Å; P481-E483 HydrophobicContact CB-CG 4.44Å; P481-E483 PolarHBondContact O-N 2.84Å; P481-E483 VanDerWaalsContact O-N 3.16Å; P481-F484 WeakPolarHBondContact O-CB 3.44Å; P481-F484 PolarHBondContact O-N 3.03Å |
| 482 | A | 53.7 | Low | 59.8 | Low | 79 Ų | 79 | 109.2 Ų | 109.2 | 65% | 0.653 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.9 | -28.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F484 L485 S486 | A482-F484 PolarHBondContact O-N 3.43Å; A482-L485 PolarHBondContact O-N 3.32Å; A482-S486 PolarHBondContact O-N 3.04Å |
| 483 | E | 57.3 | Low | 60.8 | Low | 153 Ų | 153 | 109.7 Ų | 109.7 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.1 | -27.7 | 171.8 | -56.5 | 179.5 | 168.9 | 0 | 0 | 113.4 | P481 S486 R487 | P481-E483 HydrophobicContact CB-CB 4.28Å; P481-E483 HydrophobicContact CB-CG 4.44Å; P481-E483 PolarHBondContact O-N 2.84Å; P481-E483 VanDerWaalsContact O-N 3.16Å; E483-S486 PolarHBondContact O-OG 3.28Å; E483-S486 VanDerWaalsContact O-OG 3.11Å; E483-R487 WeakPolarHBondContact O-CB 3.33Å; E483-R487 PolarHBondContact O-N 3.37Å; E483-R487 VanDerWaalsContact O-N 3.13Å |
| 484 | F | 57.5 | Low | 62.8 | Low | 116 Ų | 116 | 109 Ų | 109 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.1 | -32.8 | 177.8 | -131 | -82.3 | 0 | 0 | 0 | 111.6 | P481 A482 I488 | P481-F484 WeakPolarHBondContact O-CB 3.44Å; P481-F484 PolarHBondContact O-N 3.03Å; A482-F484 PolarHBondContact O-N 3.43Å; F484-I488 HydrophobicContact CD1-CD1 4.29Å; F484-I488 WeakPolarHBondContact O-CD1 3.39Å; F484-I488 VanDerWaalsContact O-CG1 3.25Å; F484-I488 WeakPolarHBondContact O-CG1 3.34Å; F484-I488 PolarHBondContact O-N 2.9Å; F484-I488 VanDerWaalsContact O-N 3.12Å |
| 485 | L | 60.9 | Low | 64.9 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.7 | -41 | 177.7 | -64.2 | 175.7 | 0 | 0 | 0 | 111.8 | A482 R487 I488 Q489 | A482-L485 PolarHBondContact O-N 3.32Å; L485-R487 VanDerWaalsContact C-N 3.32Å; L485-R487 PolarHBondContact O-N 3.26Å; L485-I488 PolarHBondContact O-N 3.2Å; L485-Q489 WeakPolarHBondContact O-CG 3.36Å; L485-Q489 PolarHBondContact O-N 2.77Å |
| 486 | S | 70.5 | Confident | 67.1 | Low | 49 Ų | 49 | 111.1 Ų | 111.1 | 34% | 0.343 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.1 | -40.7 | 173 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | A482 E483 I488 Q489 E490 | A482-S486 PolarHBondContact O-N 3.04Å; E483-S486 PolarHBondContact O-OG 3.28Å; E483-S486 VanDerWaalsContact O-OG 3.11Å; S486-I488 VanDerWaalsContact C-N 3.29Å; S486-I488 PolarHBondContact O-N 3.45Å; S486-Q489 WeakPolarHBondContact O-CB 3.35Å; S486-Q489 PolarHBondContact O-N 2.86Å; S486-Q489 VanDerWaalsContact O-N 3.11Å; S486-E490 WeakPolarHBondContact O-CG 3.5Å; S486-E490 PolarHBondContact O-N 3.41Å |
| 487 | R | 74 | Confident | 70.1 | Confident | 167 Ų | 167 | 112.1 Ų | 112.1 | 63% | 0.63 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.6 | -29.8 | 176.1 | -166.7 | 178.4 | -160.2 | 162 | 5.2 | 113.8 | E483 L485 A491 | E483-R487 WeakPolarHBondContact O-CB 3.33Å; E483-R487 PolarHBondContact O-N 3.37Å; E483-R487 VanDerWaalsContact O-N 3.13Å; L485-R487 VanDerWaalsContact C-N 3.32Å; L485-R487 PolarHBondContact O-N 3.26Å; R487-A491 WeakPolarHBondContact O-CB 3.47Å; R487-A491 PolarHBondContact O-N 2.87Å; R487-A491 VanDerWaalsContact O-N 3.15Å |
| 488 | I | 76.6 | Confident | 72 | Confident | 80 Ų | 80 | 109.9 Ų | 109.9 | 41% | 0.41 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.4 | -44.8 | 170.8 | -72.3 | 162.4 | 0 | 0 | 0 | 110.1 | F484 L485 S486 A491 E492 | F484-I488 HydrophobicContact CD1-CD1 4.29Å; F484-I488 WeakPolarHBondContact O-CD1 3.39Å; F484-I488 VanDerWaalsContact O-CG1 3.25Å; F484-I488 WeakPolarHBondContact O-CG1 3.34Å; F484-I488 PolarHBondContact O-N 2.9Å; F484-I488 VanDerWaalsContact O-N 3.12Å; L485-I488 PolarHBondContact O-N 3.2Å; S486-I488 VanDerWaalsContact C-N 3.29Å; S486-I488 PolarHBondContact O-N 3.45Å; I488-A491 PolarHBondContact O-N 3.26Å; I488-E492 PolarHBondContact O-N 2.98Å |
| 489 | Q | 75.6 | Confident | 74 | Confident | 123 Ų | 123 | 109.2 Ų | 109.2 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 177 | -69.2 | 170.2 | -6.9 | 0 | 0 | 112.2 | L485 S486 A491 E492 E493 | L485-Q489 WeakPolarHBondContact O-CG 3.36Å; L485-Q489 PolarHBondContact O-N 2.77Å; S486-Q489 WeakPolarHBondContact O-CB 3.35Å; S486-Q489 PolarHBondContact O-N 2.86Å; S486-Q489 VanDerWaalsContact O-N 3.11Å; Q489-A491 VanDerWaalsContact C-N 3.34Å; Q489-A491 PolarHBondContact O-N 3.14Å; Q489-E492 PolarHBondContact O-N 3.27Å; Q489-E493 PolarHBondContact O-N 3.01Å |
| 490 | E | 79.3 | Confident | 76 | Confident | 115 Ų | 115 | 106.2 Ų | 106.2 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 172.3 | -73.1 | 167.7 | -157.2 | 0 | 0 | 111.8 | S486 E492 E493 E494 | S486-E490 WeakPolarHBondContact O-CG 3.5Å; S486-E490 PolarHBondContact O-N 3.41Å; E490-E492 VanDerWaalsContact C-N 3.34Å; E490-E492 PolarHBondContact O-N 2.85Å; E490-E493 PolarHBondContact O-N 3.41Å; E490-E494 PolarHBondContact O-N 3.46Å |
| 491 | A | 83.1 | Confident | 77.9 | Confident | 42 Ų | 42 | 104.2 Ų | 104.2 | 35% | 0.347 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | R487 I488 Q489 R495 | R487-A491 WeakPolarHBondContact O-CB 3.47Å; R487-A491 PolarHBondContact O-N 2.87Å; R487-A491 VanDerWaalsContact O-N 3.15Å; I488-A491 PolarHBondContact O-N 3.26Å; Q489-A491 VanDerWaalsContact C-N 3.34Å; Q489-A491 PolarHBondContact O-N 3.14Å; A491-R495 VanDerWaalsContact O-CG 3.25Å; A491-R495 WeakPolarHBondContact O-CG 3.33Å; A491-R495 PolarHBondContact O-N 3.19Å; A491-R495 VanDerWaalsContact O-N 3.14Å |
| 492 | E | 84.7 | Confident | 79.6 | Confident | 89 Ų | 89 | 106 Ų | 106 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.5 | -38 | 170.2 | -75.2 | -173.9 | -157.5 | 0 | 0 | 112.6 | I488 Q489 E490 R495 K496 | I488-E492 PolarHBondContact O-N 2.98Å; Q489-E492 PolarHBondContact O-N 3.27Å; E490-E492 VanDerWaalsContact C-N 3.34Å; E490-E492 PolarHBondContact O-N 2.85Å; E492-R495 PolarHBondContact O-N 2.95Å; E492-K496 WeakPolarHBondContact O-CD 3.3Å; E492-K496 VanDerWaalsContact O-CG 3.26Å; E492-K496 WeakPolarHBondContact O-CG 3.2Å; E492-K496 PolarHBondContact O-N 3.48Å; E492-K496 IonicContact OE2-NZ 2.65Å; E492-K496 PolarHBondContact OE2-NZ 2.92Å |
| 493 | E | 85.1 | Confident | 81.6 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 174.5 | -75.3 | -168.7 | -166.5 | 0 | 0 | 112.3 | Q489 E490 R495 K496 K497 | Q489-E493 PolarHBondContact O-N 3.01Å; E490-E493 PolarHBondContact O-N 3.41Å; E493-R495 VanDerWaalsContact C-N 3.29Å; E493-R495 PolarHBondContact O-N 3.37Å; E493-K496 PolarHBondContact O-N 2.98Å; E493-K497 WeakPolarHBondContact O-CD 3.24Å; E493-K497 VanDerWaalsContact O-CG 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.46Å; E493-K497 PolarHBondContact O-N 3.37Å; E493-K497 IonicContact OE2-NZ 3.81Å |
| 494 | E | 87.1 | Confident | 83.4 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 169.8 | -79.8 | -161.8 | 177.4 | 0 | 0 | 112.1 | E490 R498 | E490-E494 PolarHBondContact O-N 3.46Å; E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 2.86Å; E494-R498 VanDerWaalsContact O-N 3.12Å; E494-R498 IonicContact OE2-CZ 3.15Å; E494-R498 VanDerWaalsContact OE2-CZ 3.24Å; E494-R498 IonicContact OE2-NH1 3.71Å; E494-R498 PolarHBondContact OE2-NH1 2.95Å; E494-R498 IonicContact OE2-NH2 2.69Å; E494-R498 PolarHBondContact OE2-NH2 3.36Å |
| 495 | R | 85.6 | Confident | 85.1 | Confident | 161 Ų | 161 | 105.6 Ų | 105.6 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -50.2 | 175.3 | -76.5 | 168.3 | -179.5 | -134.6 | 1.3 | 111.3 | A491 E492 E493 K497 R498 E499 | A491-R495 VanDerWaalsContact O-CG 3.25Å; A491-R495 WeakPolarHBondContact O-CG 3.33Å; A491-R495 PolarHBondContact O-N 3.19Å; A491-R495 VanDerWaalsContact O-N 3.14Å; E492-R495 PolarHBondContact O-N 2.95Å; E493-R495 VanDerWaalsContact C-N 3.29Å; E493-R495 PolarHBondContact O-N 3.37Å; R495-K497 PolarHBondContact O-N 3.49Å; R495-R498 PolarHBondContact O-N 3.15Å; R495-R498 VanDerWaalsContact O-N 3.08Å; R495-E499 WeakPolarHBondContact O-CB 3.42Å; R495-E499 VanDerWaalsContact O-CG 3.3Å; R495-E499 WeakPolarHBondContact O-CG 3.19Å; R495-E499 PolarHBondContact O-N 2.85Å |
| 496 | K | 88.9 | Confident | 86.8 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.9 | -35.5 | 177.9 | -69.6 | 157.5 | -168 | 158.3 | 0 | 112.4 | E492 E493 A500 | E492-K496 WeakPolarHBondContact O-CD 3.3Å; E492-K496 VanDerWaalsContact O-CG 3.26Å; E492-K496 WeakPolarHBondContact O-CG 3.2Å; E492-K496 PolarHBondContact O-N 3.48Å; E492-K496 IonicContact OE2-NZ 2.65Å; E492-K496 PolarHBondContact OE2-NZ 2.92Å; E493-K496 PolarHBondContact O-N 2.98Å; K496-A500 WeakPolarHBondContact O-CB 3.46Å; K496-A500 PolarHBondContact O-N 3.31Å |
| 497 | K | 92.6 | Very high | 87.9 | Confident | 118 Ų | 118 | 109.7 Ų | 109.7 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -48 | 173.3 | -72.9 | 162.8 | -172.2 | 158.2 | 0 | 112.1 | E493 R495 E499 A500 E501 | E493-K497 WeakPolarHBondContact O-CD 3.24Å; E493-K497 VanDerWaalsContact O-CG 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.46Å; E493-K497 PolarHBondContact O-N 3.37Å; E493-K497 IonicContact OE2-NZ 3.81Å; R495-K497 PolarHBondContact O-N 3.49Å; K497-E499 VanDerWaalsContact C-N 3.31Å; K497-E499 PolarHBondContact O-N 3.41Å; K497-A500 PolarHBondContact O-N 3.1Å; K497-E501 WeakPolarHBondContact O-CG 3.47Å; K497-E501 PolarHBondContact O-N 2.9Å |
| 498 | R | 88.4 | Confident | 88.9 | Confident | 122 Ų | 122 | 107.4 Ų | 107.4 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 175.7 | -69.3 | 170.5 | -173.5 | 126.6 | 12.2 | 112.7 | E494 R495 L502 | E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 2.86Å; E494-R498 VanDerWaalsContact O-N 3.12Å; E494-R498 IonicContact OE2-CZ 3.15Å; E494-R498 VanDerWaalsContact OE2-CZ 3.24Å; E494-R498 IonicContact OE2-NH1 3.71Å; E494-R498 PolarHBondContact OE2-NH1 2.95Å; E494-R498 IonicContact OE2-NH2 2.69Å; E494-R498 PolarHBondContact OE2-NH2 3.36Å; R495-R498 PolarHBondContact O-N 3.15Å; R495-R498 VanDerWaalsContact O-N 3.08Å; R498-L502 WeakPolarHBondContact O-CB 3.48Å; R498-L502 WeakPolarHBondContact O-CD1 3.2Å; R498-L502 WeakPolarHBondContact O-CG 3.49Å; R498-L502 PolarHBondContact O-N 3.38Å |
| 499 | E | 90.8 | Very high | 89.7 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 174.4 | -73.6 | 159.5 | -172.2 | 0 | 0 | 110.7 | R495 K497 L502 E503 | R495-E499 WeakPolarHBondContact O-CB 3.42Å; R495-E499 VanDerWaalsContact O-CG 3.3Å; R495-E499 WeakPolarHBondContact O-CG 3.19Å; R495-E499 PolarHBondContact O-N 2.85Å; K497-E499 VanDerWaalsContact C-N 3.31Å; K497-E499 PolarHBondContact O-N 3.41Å; E499-L502 PolarHBondContact O-N 2.88Å; E499-E503 WeakPolarHBondContact O-CG 3.15Å; E499-E503 PolarHBondContact O-N 2.84Å |
| 500 | A | 93.2 | Very high | 90.6 | Very high | 45 Ų | 45 | 107.7 Ų | 107.7 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K496 K497 L502 E503 E504 | K496-A500 WeakPolarHBondContact O-CB 3.46Å; K496-A500 PolarHBondContact O-N 3.31Å; K497-A500 PolarHBondContact O-N 3.1Å; A500-L502 VanDerWaalsContact C-N 3.31Å; A500-L502 PolarHBondContact O-N 2.96Å; A500-E503 PolarHBondContact O-N 3.39Å; A500-E503 VanDerWaalsContact O-N 3.08Å; A500-E504 PolarHBondContact O-N 2.9Å |
| 501 | E | 94.7 | Very high | 91.5 | Very high | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 174.1 | -72.2 | 165.3 | 174.5 | 0 | 0 | 111.1 | K497 E504 E505 | K497-E501 WeakPolarHBondContact O-CG 3.47Å; K497-E501 PolarHBondContact O-N 2.9Å; E501-E504 PolarHBondContact O-N 2.99Å; E501-E505 PolarHBondContact O-N 3.5Å |
| 502 | L | 92.3 | Very high | 92.1 | Very high | 105 Ų | 105 | 106.9 Ų | 106.9 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -29.7 | 174.8 | -71.8 | 167.8 | 0 | 0 | 0 | 113.3 | R498 E499 A500 K506 | R498-L502 WeakPolarHBondContact O-CB 3.48Å; R498-L502 WeakPolarHBondContact O-CD1 3.2Å; R498-L502 WeakPolarHBondContact O-CG 3.49Å; R498-L502 PolarHBondContact O-N 3.38Å; E499-L502 PolarHBondContact O-N 2.88Å; A500-L502 VanDerWaalsContact C-N 3.31Å; A500-L502 PolarHBondContact O-N 2.96Å; L502-K506 WeakPolarHBondContact O-CB 3.36Å; L502-K506 PolarHBondContact O-N 2.91Å |
| 503 | E | 94.7 | Very high | 92.6 | Very high | 119 Ų | 119 | 107.1 Ų | 107.1 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.1 | -33.4 | 171.8 | -77 | -171.5 | 166.1 | 0 | 0 | 112.6 | E499 A500 Q507 | E499-E503 WeakPolarHBondContact O-CG 3.15Å; E499-E503 PolarHBondContact O-N 2.84Å; A500-E503 PolarHBondContact O-N 3.39Å; A500-E503 VanDerWaalsContact O-N 3.08Å; E503-Q507 VanDerWaalsContact O-CG 3.28Å; E503-Q507 WeakPolarHBondContact O-CG 3.33Å; E503-Q507 PolarHBondContact O-N 3.43Å; E503-Q507 PolarHBondContact O-NE2 2.93Å |
| 504 | E | 95.9 | Very high | 93.1 | Very high | 119 Ų | 119 | 107.8 Ų | 107.8 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.2 | -47 | 171.3 | -71.5 | -176.5 | -170.5 | 0 | 0 | 111.4 | A500 E501 K506 Q507 Q508 | A500-E504 PolarHBondContact O-N 2.9Å; E501-E504 PolarHBondContact O-N 2.99Å; E504-K506 VanDerWaalsContact C-N 3.29Å; E504-K506 PolarHBondContact O-N 3Å; E504-Q507 PolarHBondContact O-N 3.23Å; E504-Q507 VanDerWaalsContact O-N 3.14Å; E504-Q508 WeakPolarHBondContact O-CG 3.38Å; E504-Q508 PolarHBondContact O-N 3.45Å |
| 505 | E | 93.6 | Very high | 93.6 | Very high | 102 Ų | 102 | 108 Ų | 108 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 173.4 | -74.7 | -173.3 | 174.1 | 0 | 0 | 111.8 | E501 Q508 Q509 | E501-E505 PolarHBondContact O-N 3.5Å; E505-Q508 PolarHBondContact O-N 3.47Å; E505-Q509 WeakPolarHBondContact O-CG 3.36Å; E505-Q509 PolarHBondContact O-N 3.25Å |
| 506 | K | 96.2 | Very high | 94.1 | Very high | 125 Ų | 125 | 105.1 Ų | 105.1 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 175.5 | 177.5 | -176.3 | 171.3 | -168.2 | 0 | 112.3 | L502 E504 Q509 L510 | L502-K506 WeakPolarHBondContact O-CB 3.36Å; L502-K506 PolarHBondContact O-N 2.91Å; E504-K506 VanDerWaalsContact C-N 3.29Å; E504-K506 PolarHBondContact O-N 3Å; K506-Q509 PolarHBondContact O-N 2.93Å; K506-L510 HydrophobicContact CG-CD1 4.35Å; K506-L510 VanDerWaalsContact O-CG 3.32Å; K506-L510 WeakPolarHBondContact O-CG 3.45Å; K506-L510 PolarHBondContact O-N 3.2Å |
| 507 | Q | 93.4 | Very high | 94.4 | Very high | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 174.4 | -77.3 | 167.9 | 72 | 0 | 0 | 111.5 | E503 E504 L510 A511 | E503-Q507 VanDerWaalsContact O-CG 3.28Å; E503-Q507 WeakPolarHBondContact O-CG 3.33Å; E503-Q507 PolarHBondContact O-N 3.43Å; E503-Q507 PolarHBondContact O-NE2 2.93Å; E504-Q507 PolarHBondContact O-N 3.23Å; E504-Q507 VanDerWaalsContact O-N 3.14Å; Q507-L510 PolarHBondContact O-N 2.85Å; Q507-A511 PolarHBondContact O-N 2.69Å |
| 508 | Q | 95.6 | Very high | 94.6 | Very high | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -43.3 | 174 | -65.7 | 167.3 | 32.9 | 0 | 0 | 111.7 | E504 E505 L510 A511 L512 | E504-Q508 WeakPolarHBondContact O-CG 3.38Å; E504-Q508 PolarHBondContact O-N 3.45Å; E505-Q508 PolarHBondContact O-N 3.47Å; Q508-L510 VanDerWaalsContact C-N 3.33Å; Q508-L510 PolarHBondContact O-N 2.67Å; Q508-A511 PolarHBondContact O-N 2.87Å; Q508-L512 WeakPolarHBondContact O-CG 3.37Å; Q508-L512 PolarHBondContact O-N 3Å |
| 509 | Q | 93.3 | Very high | 94.9 | Very high | 119 Ų | 119 | 105.9 Ų | 105.9 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -37.2 | 175 | -72.1 | 172.9 | 31.2 | 0 | 0 | 112.6 | E505 K506 L513 | E505-Q509 WeakPolarHBondContact O-CG 3.36Å; E505-Q509 PolarHBondContact O-N 3.25Å; K506-Q509 PolarHBondContact O-N 2.93Å; Q509-L513 VanDerWaalsContact O-CG 3.29Å; Q509-L513 WeakPolarHBondContact O-CG 3.49Å; Q509-L513 PolarHBondContact O-N 3.33Å |
| 510 | L | 95 | Very high | 95.1 | Very high | 90 Ų | 90 | 106.3 Ų | 106.3 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 175.9 | -73.5 | 169 | 0 | 0 | 0 | 112.4 | K506 Q507 Q508 L513 Q514 | K506-L510 HydrophobicContact CG-CD1 4.35Å; K506-L510 VanDerWaalsContact O-CG 3.32Å; K506-L510 WeakPolarHBondContact O-CG 3.45Å; K506-L510 PolarHBondContact O-N 3.2Å; Q507-L510 PolarHBondContact O-N 2.85Å; Q508-L510 VanDerWaalsContact C-N 3.33Å; Q508-L510 PolarHBondContact O-N 2.67Å; L510-L513 PolarHBondContact O-N 2.98Å; L510-Q514 WeakPolarHBondContact O-CG 3.45Å; L510-Q514 PolarHBondContact O-N 3.1Å |
| 511 | A | 97.1 | Very high | 95.2 | Very high | 41 Ų | 41 | 106.1 Ų | 106.1 | 34% | 0.339 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q507 Q508 L513 Q514 E515 | Q507-A511 PolarHBondContact O-N 2.69Å; Q508-A511 PolarHBondContact O-N 2.87Å; A511-L513 PolarHBondContact O-N 3.46Å; A511-Q514 WeakPolarHBondContact O-CB 3.4Å; A511-Q514 PolarHBondContact O-N 3.23Å; A511-E515 PolarHBondContact O-N 3.07Å |
| 512 | L | 97.1 | Very high | 95.3 | Very high | 98 Ų | 98 | 106.4 Ų | 106.4 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -31.2 | 175.8 | -69.2 | 170.1 | 0 | 0 | 0 | 112.9 | Q508 L516 | Q508-L512 WeakPolarHBondContact O-CG 3.37Å; Q508-L512 PolarHBondContact O-N 3Å; L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.49Å; L512-L516 PolarHBondContact O-N 3.35Å |
| 513 | L | 94.9 | Very high | 95.4 | Very high | 95 Ų | 95 | 106.6 Ų | 106.6 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71 | -37.6 | 172.8 | -75.5 | 169.2 | 0 | 0 | 0 | 112.2 | Q509 L510 A511 L516 E517 | Q509-L513 VanDerWaalsContact O-CG 3.29Å; Q509-L513 WeakPolarHBondContact O-CG 3.49Å; Q509-L513 PolarHBondContact O-N 3.33Å; L510-L513 PolarHBondContact O-N 2.98Å; A511-L513 PolarHBondContact O-N 3.46Å; L513-L516 PolarHBondContact O-N 2.85Å; L513-E517 WeakPolarHBondContact O-CG 3.34Å; L513-E517 PolarHBondContact O-N 3.21Å |
| 514 | Q | 95.9 | Very high | 95.5 | Very high | 124 Ų | 124 | 105.2 Ų | 105.2 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -45.5 | 174.3 | -72.4 | 172.6 | -17.4 | 0 | 0 | 111.5 | L510 A511 L516 E517 E518 | L510-Q514 WeakPolarHBondContact O-CG 3.45Å; L510-Q514 PolarHBondContact O-N 3.1Å; A511-Q514 WeakPolarHBondContact O-CB 3.4Å; A511-Q514 PolarHBondContact O-N 3.23Å; Q514-L516 VanDerWaalsContact C-N 3.26Å; Q514-L516 PolarHBondContact O-N 2.84Å; Q514-E517 PolarHBondContact O-N 2.92Å; Q514-E517 VanDerWaalsContact O-N 3.11Å; Q514-E518 WeakPolarHBondContact O-CG 3.33Å; Q514-E518 PolarHBondContact O-N 3.39Å |
| 515 | E | 97.2 | Very high | 95.6 | Very high | 102 Ų | 102 | 104.9 Ų | 104.9 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.5 | -38.1 | 174 | -68.8 | 175.3 | -171.5 | 0 | 0 | 112.3 | A511 Q519 | A511-E515 PolarHBondContact O-N 3.07Å; E515-Q519 WeakPolarHBondContact O-CB 3.18Å; E515-Q519 VanDerWaalsContact O-CG 3.25Å; E515-Q519 WeakPolarHBondContact O-CG 3.3Å; E515-Q519 PolarHBondContact O-N 3.29Å |
| 516 | L | 95.5 | Very high | 95.6 | Very high | 102 Ų | 102 | 105.3 Ų | 105.3 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74 | -32.2 | 176.3 | -72.7 | 170.7 | 0 | 0 | 0 | 113.3 | L512 L513 Q514 K520 | L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.49Å; L512-L516 PolarHBondContact O-N 3.35Å; L513-L516 PolarHBondContact O-N 2.85Å; Q514-L516 VanDerWaalsContact C-N 3.26Å; Q514-L516 PolarHBondContact O-N 2.84Å; L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.28Å |
| 517 | E | 95.1 | Very high | 95.6 | Very high | 136 Ų | 136 | 104 Ų | 104 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.9 | -39.2 | 172.2 | -76.2 | -176.9 | 172.1 | 0 | 0 | 111.5 | L513 Q514 K520 A521 | L513-E517 WeakPolarHBondContact O-CG 3.34Å; L513-E517 PolarHBondContact O-N 3.21Å; Q514-E517 PolarHBondContact O-N 2.92Å; Q514-E517 VanDerWaalsContact O-N 3.11Å; E517-K520 PolarHBondContact O-N 2.81Å; E517-A521 WeakPolarHBondContact O-CB 3.22Å; E517-A521 PolarHBondContact O-N 3.45Å |
| 518 | E | 97.5 | Very high | 95.7 | Very high | 134 Ų | 134 | 102.1 Ų | 102.1 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -51.9 | 173.5 | -71.4 | -179.4 | 167.3 | 0 | 0 | 111.4 | Q514 K520 A521 E522 | Q514-E518 WeakPolarHBondContact O-CG 3.33Å; Q514-E518 PolarHBondContact O-N 3.39Å; E518-K520 PolarHBondContact O-N 3.46Å; E518-A521 WeakPolarHBondContact O-CA 3.46Å; E518-A521 WeakPolarHBondContact O-CB 3.41Å; E518-A521 PolarHBondContact O-N 3.26Å; E518-E522 PolarHBondContact O-N 2.83Å |
| 519 | Q | 94.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 101.3 Ų | 101.3 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57 | -37.8 | 174.8 | -73.2 | 170.9 | 29.6 | 0 | 0 | 112.4 | E515 E522 L523 | E515-Q519 WeakPolarHBondContact O-CB 3.18Å; E515-Q519 VanDerWaalsContact O-CG 3.25Å; E515-Q519 WeakPolarHBondContact O-CG 3.3Å; E515-Q519 PolarHBondContact O-N 3.29Å; Q519-E522 PolarHBondContact O-N 3.23Å; Q519-L523 WeakPolarHBondContact O-CB 3.49Å; Q519-L523 VanDerWaalsContact O-CG 3.24Å; Q519-L523 WeakPolarHBondContact O-CG 3.3Å; Q519-L523 PolarHBondContact O-N 3.17Å |
| 520 | K | 94.1 | Very high | 95.7 | Very high | 118 Ų | 118 | 97.5 Ų | 97.5 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.7 | 179 | 178.3 | 173.2 | -62.9 | 0 | 111.7 | L516 E517 E518 L523 E524 | L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.28Å; E517-K520 PolarHBondContact O-N 2.81Å; E518-K520 PolarHBondContact O-N 3.46Å; K520-L523 PolarHBondContact O-N 2.85Å; K520-E524 WeakPolarHBondContact CE-OE1 3.48Å; K520-E524 IonicContact NZ-OE1 3.99Å; K520-E524 PolarHBondContact NZ-OE1 3.16Å; K520-E524 IonicContact NZ-OE2 2.72Å; K520-E524 WeakPolarHBondContact O-CB 3.3Å; K520-E524 WeakPolarHBondContact O-CG 3.44Å; K520-E524 PolarHBondContact O-N 3.15Å |
| 521 | A | 95 | Very high | 95.5 | Very high | 42 Ų | 42 | 98 Ų | 98 | 35% | 0.347 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E517 E518 Q525 | E517-A521 WeakPolarHBondContact O-CB 3.22Å; E517-A521 PolarHBondContact O-N 3.45Å; E518-A521 WeakPolarHBondContact O-CA 3.46Å; E518-A521 WeakPolarHBondContact O-CB 3.41Å; E518-A521 PolarHBondContact O-N 3.26Å; A521-Q525 VanDerWaalsContact O-CG 3.31Å; A521-Q525 WeakPolarHBondContact O-CG 3.35Å; A521-Q525 PolarHBondContact O-N 2.94Å; A521-Q525 PolarHBondContact O-NE2 2.72Å |
| 522 | E | 97.7 | Very high | 95.3 | Very high | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -47 | 172 | -68.6 | -176.4 | 154.5 | 0 | 0 | 111.7 | E518 Q519 E524 Q525 M526 | E518-E522 PolarHBondContact O-N 2.83Å; Q519-E522 PolarHBondContact O-N 3.23Å; E522-E524 VanDerWaalsContact C-N 3.33Å; E522-E524 PolarHBondContact O-N 2.88Å; E522-Q525 WeakPolarHBondContact O-CB 3.24Å; E522-Q525 PolarHBondContact O-N 2.94Å; E522-M526 PolarHBondContact O-N 2.93Å |
| 523 | L | 95.3 | Very high | 95.1 | Very high | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 176.8 | -72.9 | 168.5 | 0 | 0 | 0 | 112.1 | Q519 K520 M526 L527 | Q519-L523 WeakPolarHBondContact O-CB 3.49Å; Q519-L523 VanDerWaalsContact O-CG 3.24Å; Q519-L523 WeakPolarHBondContact O-CG 3.3Å; Q519-L523 PolarHBondContact O-N 3.17Å; K520-L523 PolarHBondContact O-N 2.85Å; L523-M526 HydrophobicContact CD2-CE 3.88Å; L523-L527 WeakPolarHBondContact O-CB 3.37Å; L523-L527 PolarHBondContact O-N 3.34Å |
| 524 | E | 96.8 | Very high | 95 | Very high | 90 Ų | 90 | 106.6 Ų | 106.6 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -34.1 | 174.7 | -78.7 | 177.1 | -162.3 | 0 | 0 | 112.7 | K520 E522 Q528 | K520-E524 WeakPolarHBondContact CE-OE1 3.48Å; K520-E524 IonicContact NZ-OE1 3.99Å; K520-E524 PolarHBondContact NZ-OE1 3.16Å; K520-E524 IonicContact NZ-OE2 2.72Å; K520-E524 WeakPolarHBondContact O-CB 3.3Å; K520-E524 WeakPolarHBondContact O-CG 3.44Å; K520-E524 PolarHBondContact O-N 3.15Å; E522-E524 VanDerWaalsContact C-N 3.33Å; E522-E524 PolarHBondContact O-N 2.88Å; E524-Q528 WeakPolarHBondContact O-CG 3.48Å; E524-Q528 PolarHBondContact O-N 3.11Å; E524-Q528 VanDerWaalsContact O-N 3.08Å |
| 525 | Q | 96.8 | Very high | 94.8 | Very high | 112 Ų | 112 | 106.4 Ų | 106.4 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -51.4 | 172.2 | -75.6 | 170.7 | 68.3 | 0 | 0 | 111.4 | A521 E522 L527 Q528 E529 | A521-Q525 VanDerWaalsContact O-CG 3.31Å; A521-Q525 WeakPolarHBondContact O-CG 3.35Å; A521-Q525 PolarHBondContact O-N 2.94Å; A521-Q525 PolarHBondContact O-NE2 2.72Å; E522-Q525 WeakPolarHBondContact O-CB 3.24Å; E522-Q525 PolarHBondContact O-N 2.94Å; Q525-L527 PolarHBondContact O-N 3.06Å; Q525-Q528 WeakPolarHBondContact O-CB 3.38Å; Q525-Q528 PolarHBondContact O-N 2.91Å; Q525-Q528 VanDerWaalsContact O-N 3.08Å; Q525-E529 WeakPolarHBondContact O-CG 3.36Å; Q525-E529 PolarHBondContact O-N 3.49Å |
| 526 | M | 94.9 | Very high | 94.6 | Very high | 111 Ų | 111 | 108 Ų | 108 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -34.2 | 176.6 | -72.3 | -163.5 | -68.5 | 0 | 0 | 112.7 | E522 L523 E529 A530 | E522-M526 PolarHBondContact O-N 2.93Å; L523-M526 HydrophobicContact CD2-CE 3.88Å; M526-E529 PolarHBondContact O-N 3.2Å; M526-A530 WeakPolarHBondContact O-CB 3.5Å; M526-A530 PolarHBondContact O-N 2.83Å |
| 527 | L | 96.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.2 | -155 | 175.7 | 0 | 0 | 0 | 110.9 | L523 Q525 E529 A530 Q531 | L523-L527 WeakPolarHBondContact O-CB 3.37Å; L523-L527 PolarHBondContact O-N 3.34Å; Q525-L527 PolarHBondContact O-N 3.06Å; L527-E529 VanDerWaalsContact C-N 3.34Å; L527-A530 PolarHBondContact O-N 3.23Å; L527-Q531 HydrophobicContact CD2-CG 4.01Å; L527-Q531 WeakPolarHBondContact O-CG 3.42Å; L527-Q531 PolarHBondContact O-N 3.04Å |
| 528 | Q | 93.6 | Very high | 94.1 | Very high | 86 Ų | 86 | 110.4 Ų | 110.4 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 174.6 | -71.2 | 175 | 47.4 | 0 | 0 | 112.3 | E524 Q525 Q531 R532 | E524-Q528 WeakPolarHBondContact O-CG 3.48Å; E524-Q528 PolarHBondContact O-N 3.11Å; E524-Q528 VanDerWaalsContact O-N 3.08Å; Q525-Q528 WeakPolarHBondContact O-CB 3.38Å; Q525-Q528 PolarHBondContact O-N 2.91Å; Q525-Q528 VanDerWaalsContact O-N 3.08Å; Q528-Q531 WeakPolarHBondContact O-CB 3.36Å; Q528-Q531 PolarHBondContact O-N 3.49Å; Q528-R532 VanDerWaalsContact O-CG 3.24Å; Q528-R532 WeakPolarHBondContact O-CG 3.28Å; Q528-R532 PolarHBondContact O-N 3.31Å |
| 529 | E | 96.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 176.3 | -70.6 | 179.1 | 159.7 | 0 | 0 | 111.4 | Q525 M526 L527 Q531 R532 E533 | Q525-E529 WeakPolarHBondContact O-CG 3.36Å; Q525-E529 PolarHBondContact O-N 3.49Å; M526-E529 PolarHBondContact O-N 3.2Å; L527-E529 VanDerWaalsContact C-N 3.34Å; E529-Q531 PolarHBondContact O-N 2.85Å; E529-R532 WeakPolarHBondContact O-CB 3.41Å; E529-R532 PolarHBondContact O-N 3.35Å; E529-E533 WeakPolarHBondContact O-CG 3.35Å; E529-E533 PolarHBondContact O-N 2.96Å |
| 530 | A | 94.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 103.3 Ų | 103.3 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -25 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M526 L527 R534 | M526-A530 WeakPolarHBondContact O-CB 3.5Å; M526-A530 PolarHBondContact O-N 2.83Å; L527-A530 PolarHBondContact O-N 3.23Å; A530-R534 WeakPolarHBondContact O-CB 3.22Å; A530-R534 VanDerWaalsContact O-CD 3.29Å; A530-R534 WeakPolarHBondContact O-CD 3.5Å; A530-R534 WeakPolarHBondContact O-CG 3.42Å; A530-R534 PolarHBondContact O-N 3.04Å |
| 531 | Q | 89.2 | Confident | 93 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.7 | -49.5 | 168.6 | -76.6 | 175.3 | -4.6 | 0 | 0 | 111.6 | L527 Q528 E529 E533 R534 E535 | L527-Q531 HydrophobicContact CD2-CG 4.01Å; L527-Q531 WeakPolarHBondContact O-CG 3.42Å; L527-Q531 PolarHBondContact O-N 3.04Å; Q528-Q531 WeakPolarHBondContact O-CB 3.36Å; Q528-Q531 PolarHBondContact O-N 3.49Å; E529-Q531 PolarHBondContact O-N 2.85Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 PolarHBondContact O-N 2.89Å; Q531-R534 WeakPolarHBondContact O-CB 3.39Å; Q531-R534 PolarHBondContact O-N 2.95Å; Q531-R534 VanDerWaalsContact O-N 3.14Å; Q531-E535 WeakPolarHBondContact O-CG 3.32Å; Q531-E535 PolarHBondContact O-N 3.26Å |
| 532 | R | 92.8 | Very high | 92.3 | Very high | 123 Ų | 123 | 104.4 Ų | 104.4 | 46% | 0.464 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 177.4 | -67.2 | 162.6 | -164.6 | 158 | 5.5 | 111.5 | Q528 E529 E535 Q536 | Q528-R532 VanDerWaalsContact O-CG 3.24Å; Q528-R532 WeakPolarHBondContact O-CG 3.28Å; Q528-R532 PolarHBondContact O-N 3.31Å; E529-R532 WeakPolarHBondContact O-CB 3.41Å; E529-R532 PolarHBondContact O-N 3.35Å; R532-E535 PolarHBondContact O-N 2.86Å; R532-Q536 VanDerWaalsContact O-CG 3.29Å; R532-Q536 WeakPolarHBondContact O-CG 3.24Å; R532-Q536 PolarHBondContact O-N 3.33Å |
| 533 | E | 93.7 | Very high | 91.3 | Very high | 120 Ų | 120 | 104.7 Ų | 104.7 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | 174.1 | -71.6 | -176.1 | 155.7 | 0 | 0 | 111.9 | E529 Q531 E535 Q536 L537 | E529-E533 WeakPolarHBondContact O-CG 3.35Å; E529-E533 PolarHBondContact O-N 2.96Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 PolarHBondContact O-N 2.89Å; E533-E535 VanDerWaalsContact C-N 3.27Å; E533-E535 PolarHBondContact O-N 3.05Å; E533-Q536 PolarHBondContact O-N 3.27Å; E533-L537 WeakPolarHBondContact O-CB 3.26Å; E533-L537 VanDerWaalsContact O-CG 3.3Å; E533-L537 WeakPolarHBondContact O-CG 3.29Å; E533-L537 PolarHBondContact O-N 3.5Å |
| 534 | R | 92.4 | Very high | 90.3 | Very high | 171 Ų | 171 | 105.6 Ų | 105.6 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -33.9 | 176.6 | -77 | 170.6 | 176.4 | -168.7 | -0.6 | 112.5 | A530 Q531 R538 | A530-R534 WeakPolarHBondContact O-CB 3.22Å; A530-R534 VanDerWaalsContact O-CD 3.29Å; A530-R534 WeakPolarHBondContact O-CD 3.5Å; A530-R534 WeakPolarHBondContact O-CG 3.42Å; A530-R534 PolarHBondContact O-N 3.04Å; Q531-R534 WeakPolarHBondContact O-CB 3.39Å; Q531-R534 PolarHBondContact O-N 2.95Å; Q531-R534 VanDerWaalsContact O-N 3.14Å; R534-R538 WeakPolarHBondContact O-CB 3.32Å; R534-R538 WeakPolarHBondContact O-CD 3.25Å; R534-R538 WeakPolarHBondContact O-CG 3.33Å; R534-R538 PolarHBondContact O-N 2.96Å |
| 535 | E | 91.6 | Very high | 89 | Confident | 121 Ų | 121 | 104.1 Ų | 104.1 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.1 | -40.6 | 175.3 | -72.3 | 178.9 | 171.5 | 0 | 0 | 112 | Q531 R532 E533 R538 A539 | Q531-E535 WeakPolarHBondContact O-CG 3.32Å; Q531-E535 PolarHBondContact O-N 3.26Å; R532-E535 PolarHBondContact O-N 2.86Å; E533-E535 VanDerWaalsContact C-N 3.27Å; E533-E535 PolarHBondContact O-N 3.05Å; E535-R538 PolarHBondContact O-N 3.45Å; E535-A539 WeakPolarHBondContact O-CB 3.49Å; E535-A539 PolarHBondContact O-N 3Å |
| 536 | Q | 92.3 | Very high | 87.8 | Confident | 135 Ų | 135 | 104.6 Ų | 104.6 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 171.9 | -71.2 | 170.3 | 22.4 | 0 | 0 | 111.7 | R532 E533 R538 A539 A540 | R532-Q536 VanDerWaalsContact O-CG 3.29Å; R532-Q536 WeakPolarHBondContact O-CG 3.24Å; R532-Q536 PolarHBondContact O-N 3.33Å; E533-Q536 PolarHBondContact O-N 3.27Å; Q536-R538 VanDerWaalsContact C-N 3.35Å; Q536-R538 PolarHBondContact O-N 3.34Å; Q536-A539 PolarHBondContact O-N 2.92Å; Q536-A540 WeakPolarHBondContact O-CB 3.5Å; Q536-A540 PolarHBondContact O-N 2.7Å |
| 537 | L | 91.4 | Very high | 86.2 | Confident | 126 Ų | 126 | 106.7 Ų | 106.7 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 176.7 | -70.1 | 170.7 | 0 | 0 | 0 | 112.2 | E533 A541 | E533-L537 WeakPolarHBondContact O-CB 3.26Å; E533-L537 VanDerWaalsContact O-CG 3.3Å; E533-L537 WeakPolarHBondContact O-CG 3.29Å; E533-L537 PolarHBondContact O-N 3.5Å; L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.15Å |
| 538 | R | 90.3 | Very high | 84.5 | Confident | 163 Ų | 163 | 108.5 Ų | 108.5 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 172.2 | -78.8 | 166.9 | 172.8 | -179.7 | -3.9 | 112.2 | R534 E535 Q536 A541 Q542 | R534-R538 WeakPolarHBondContact O-CB 3.32Å; R534-R538 WeakPolarHBondContact O-CD 3.25Å; R534-R538 WeakPolarHBondContact O-CG 3.33Å; R534-R538 PolarHBondContact O-N 2.96Å; E535-R538 PolarHBondContact O-N 3.45Å; Q536-R538 VanDerWaalsContact C-N 3.35Å; Q536-R538 PolarHBondContact O-N 3.34Å; R538-A541 PolarHBondContact O-N 3.09Å; R538-Q542 WeakPolarHBondContact O-CB 3.26Å; R538-Q542 VanDerWaalsContact O-CG 3.26Å; R538-Q542 WeakPolarHBondContact O-CG 3.39Å; R538-Q542 PolarHBondContact O-N 3.26Å |
| 539 | A | 90.4 | Very high | 82.3 | Confident | 39 Ų | 39 | 111.6 Ų | 111.6 | 32% | 0.322 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E535 Q536 Q542 Q543 | E535-A539 WeakPolarHBondContact O-CB 3.49Å; E535-A539 PolarHBondContact O-N 3Å; Q536-A539 PolarHBondContact O-N 2.92Å; A539-Q542 PolarHBondContact O-N 2.84Å; A539-Q543 WeakPolarHBondContact O-CG 3.19Å; A539-Q543 PolarHBondContact O-N 3.22Å |
| 540 | A | 87.6 | Confident | 80.3 | Confident | 44 Ų | 44 | 112.4 Ų | 112.4 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.2 | -51.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q536 Q542 Q543 E544 | Q536-A540 WeakPolarHBondContact O-CB 3.5Å; Q536-A540 PolarHBondContact O-N 2.7Å; A540-Q542 VanDerWaalsContact C-N 3.26Å; A540-Q542 PolarHBondContact O-N 3.35Å; A540-Q543 WeakPolarHBondContact O-CB 3.25Å; A540-Q543 PolarHBondContact O-N 2.92Å; A540-E544 WeakPolarHBondContact O-CG 3.2Å; A540-E544 PolarHBondContact O-N 3.5Å |
| 541 | A | 84.3 | Confident | 78 | Confident | 52 Ų | 52 | 119.8 Ų | 119.8 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.4 | -31.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L537 R538 A545 | L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.15Å; R538-A541 PolarHBondContact O-N 3.09Å; A541-A545 VanDerWaalsContact O-CB 3.28Å; A541-A545 WeakPolarHBondContact O-CB 3.29Å; A541-A545 PolarHBondContact O-N 3.45Å |
| 542 | Q | 79.8 | Confident | 75.6 | Confident | 130 Ų | 130 | 121.5 Ų | 121.5 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.9 | -38.6 | 172.4 | -76.5 | 173.6 | 2.4 | 0 | 0 | 112.4 | R538 A539 A540 A545 L546 | R538-Q542 WeakPolarHBondContact O-CB 3.26Å; R538-Q542 VanDerWaalsContact O-CG 3.26Å; R538-Q542 WeakPolarHBondContact O-CG 3.39Å; R538-Q542 PolarHBondContact O-N 3.26Å; A539-Q542 PolarHBondContact O-N 2.84Å; A540-Q542 VanDerWaalsContact C-N 3.26Å; A540-Q542 PolarHBondContact O-N 3.35Å; Q542-A545 PolarHBondContact O-N 2.93Å; Q542-L546 WeakPolarHBondContact O-CB 3.44Å; Q542-L546 VanDerWaalsContact O-CG 3.29Å; Q542-L546 WeakPolarHBondContact O-CG 3.34Å; Q542-L546 PolarHBondContact O-N 2.93Å |
| 543 | Q | 77.3 | Confident | 73.3 | Confident | 129 Ų | 129 | 120.6 Ų | 120.6 | 60% | 0.603 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.2 | -43.2 | 174.4 | -71 | 171.6 | 21.6 | 0 | 0 | 111.2 | A539 A540 A545 L546 L547 | A539-Q543 WeakPolarHBondContact O-CG 3.19Å; A539-Q543 PolarHBondContact O-N 3.22Å; A540-Q543 WeakPolarHBondContact O-CB 3.25Å; A540-Q543 PolarHBondContact O-N 2.92Å; Q543-A545 PolarHBondContact O-N 3.25Å; Q543-L546 PolarHBondContact O-N 3.34Å; Q543-L547 WeakPolarHBondContact O-CG 3.5Å; Q543-L547 PolarHBondContact O-N 3.02Å |
| 544 | E | 74.9 | Confident | 70.6 | Confident | 127 Ų | 127 | 121.8 Ų | 121.8 | 59% | 0.593 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.4 | -44.9 | 172.2 | -69.8 | 177.8 | 165.7 | 0 | 0 | 111.8 | A540 L546 L547 L548 | A540-E544 WeakPolarHBondContact O-CG 3.2Å; A540-E544 PolarHBondContact O-N 3.5Å; E544-L546 VanDerWaalsContact C-N 3.33Å; E544-L546 PolarHBondContact O-N 3.27Å; E544-L547 PolarHBondContact O-N 3.27Å; E544-L548 WeakPolarHBondContact O-CD1 3.3Å; E544-L548 WeakPolarHBondContact O-CG 3.48Å; E544-L548 PolarHBondContact O-N 3.42Å |
| 545 | A | 69.7 | Low | 68 | Low | 59 Ų | 59 | 122.5 Ų | 122.5 | 49% | 0.488 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.3 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A541 Q542 Q543 L548 | A541-A545 VanDerWaalsContact O-CB 3.28Å; A541-A545 WeakPolarHBondContact O-CB 3.29Å; A541-A545 PolarHBondContact O-N 3.45Å; Q542-A545 PolarHBondContact O-N 2.93Å; Q543-A545 PolarHBondContact O-N 3.25Å; A545-L548 PolarHBondContact O-N 2.89Å |
| 546 | L | 70.2 | Confident | 65.3 | Low | 122 Ų | 122 | 122.8 Ų | 122.8 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.9 | -32.1 | 174.8 | -73.7 | 169 | 0 | 0 | 0 | 112.6 | Q542 Q543 E544 L548 | Q542-L546 WeakPolarHBondContact O-CB 3.44Å; Q542-L546 VanDerWaalsContact O-CG 3.29Å; Q542-L546 WeakPolarHBondContact O-CG 3.34Å; Q542-L546 PolarHBondContact O-N 2.93Å; Q543-L546 PolarHBondContact O-N 3.34Å; E544-L546 VanDerWaalsContact C-N 3.33Å; E544-L546 PolarHBondContact O-N 3.27Å; L546-L548 PolarHBondContact O-N 2.92Å |
| 547 | L | 62.3 | Low | 62.6 | Low | 155 Ų | 155 | 126.6 Ų | 126.6 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.6 | -11.4 | 173.5 | -69.3 | 170.3 | 0 | 0 | 0 | 113.5 | Q543 E544 | Q543-L547 WeakPolarHBondContact O-CG 3.5Å; Q543-L547 PolarHBondContact O-N 3.02Å; E544-L547 PolarHBondContact O-N 3.27Å |
| 548 | L | 60.9 | Low | 59.7 | Low | 135 Ų | 135 | 124.8 Ų | 124.8 | 71% | 0.707 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 10.2 | -175.7 | -74 | 169.2 | 0 | 0 | 0 | 114.9 | E544 A545 L546 P550 | E544-L548 WeakPolarHBondContact O-CD1 3.3Å; E544-L548 WeakPolarHBondContact O-CG 3.48Å; E544-L548 PolarHBondContact O-N 3.42Å; A545-L548 PolarHBondContact O-N 2.89Å; L546-L548 PolarHBondContact O-N 2.92Å; L548-P550 VanDerWaalsContact O-CD 3.3Å; L548-P550 WeakPolarHBondContact O-CD 3.32Å |
| 549 | Q | 45.8 | Very low | 57.9 | Low | 151 Ų | 151 | 122.7 Ų | 122.7 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 121.8 | 173.9 | -73.9 | -163.2 | 2.4 | 0 | 0 | 112.4 | ||
| 550 | P | 54 | Low | 55.1 | Low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 133.3 | 174.8 | -13.2 | 30.2 | 0 | 0 | 0 | 112 | L548 | L548-P550 VanDerWaalsContact O-CD 3.3Å; L548-P550 WeakPolarHBondContact O-CD 3.32Å |
| 551 | Q | 47 | Very low | 52.6 | Low | 195 Ų | 195 | 127.8 Ų | 127.8 | 91% | 0.911 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 125.3 | 168 | -64.2 | -179.1 | -2 | 0 | 0 | 110.5 | ||
| 552 | V | 39.8 | Very low | 50.2 | Low | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -144 | 122 | 169 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 553 | P | 43.2 | Very low | 47.8 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | -103.7 | 151 | 175.5 | 37.2 | -32.1 | 0 | 0 | 0 | 114.7 | ||||
| 554 | D | 36.9 | Very low | 45.7 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | 34.2 | 121.1 | 145.1 | -51.5 | -30.4 | 0 | 0 | 0 | 122.6 | ||||
| 555 | Q | 38 | Very low | 43.7 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | -166.7 | 136.7 | 121.2 | -109.3 | 151.2 | 103.3 | 0 | 0 | 116.6 | |||||
| 556 | D | 35.8 | Very low | 41.9 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | -1.9 | 159.5 | 143.9 | -69.6 | -74.3 | 0 | 0 | 0 | 122.6 | ||||
| 557 | R | 34.5 | Very low | 40.2 | Very low | 215 Ų | 215 | 141.6 Ų | 141.6 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | cis | 179.8 | 117.7 | -12.9 | 172 | 175.3 | -173.7 | 151.9 | -2.1 | 115 | ||||
| 558 | A | 31.7 | Very low | 38.9 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 57.9 | -176.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 559 | P | 51.9 | Low | 37.4 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -134.3 | 174.1 | -19 | 34.8 | -15.5 | 0 | 0 | 0 | 116.9 | ||||
| 560 | A | 32 | Very low | 37.4 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 74.4 | 149.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 561 | S | 35.1 | Very low | 36.3 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -178 | 159.7 | -19 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 562 | L | 33.3 | Very low | 35.6 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | 74.9 | 146 | 163 | -49.7 | -171.7 | 0 | 0 | 0 | 116.9 | ||||
| 563 | T | 30.4 | Very low | 35.3 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -157.7 | 145.9 | -5.7 | 4.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 564 | S | 31.6 | Very low | 34.8 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 46.6 | 147.5 | 140.3 | 70.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 565 | E | 33.8 | Very low | 34.3 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | cis | -102.8 | -128 | 7.5 | -65.4 | -178.8 | 77 | 0 | 0 | 111.4 | ||||
| 566 | E | 32.4 | Very low | 34 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | cis | -147 | -137 | 0 | -151.5 | 175.3 | -159.5 | 0 | 0 | 109.8 | ||||
| 567 | E | 34.7 | Very low | 33.8 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -88.5 | 142.3 | -160.6 | -63.5 | -159.6 | 137.4 | 0 | 0 | 118.9 | ||||
| 568 | V | 33.3 | Very low | 33.6 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | 48.2 | 113.4 | 140.5 | -176.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 569 | G | 31 | Very low | 33.8 | Very low | 65 Ų | 65 | 135.6 Ų | 135.6 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | -93.5 | -169.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 570 | P | 44.7 | Very low | 32.8 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | cis | -134.4 | -160 | 19.6 | 44.4 | -27.6 | 0 | 0 | 0 | 114.5 | ||||
| 571 | A | 30.4 | Very low | 32.9 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 78.2 | 110.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q573 | A571-Q573 PolarHBondContact O-N 2.76Š| ||
| 572 | C | 33.5 | Very low | 32.7 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | trans | -72.7 | 115.9 | 164.5 | -55.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 573 | Q | 32.8 | Very low | 32.7 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -113.8 | 153 | 158.5 | -78.4 | -170.2 | -14.2 | 0 | 0 | 110 | A571 F575 | A571-Q573 PolarHBondContact O-N 2.76Å; Q573-F575 PolarHBondContact O-N 3.37Å | ||
| 574 | A | 33.2 | Very low | 32.8 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -63.7 | 127.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I576 | A574-I576 PolarHBondContact O-N 3.29Å; A574-I576 VanDerWaalsContact O-N 3.1Å | ||
| 575 | F | 27.2 | Very low | 32.7 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -74.3 | 104.7 | 179.7 | -143.6 | -86.1 | 0 | 0 | 0 | 109.9 | Q573 F577 | Q573-F575 PolarHBondContact O-N 3.37Å; F575-F577 PolarHBondContact O-N 3.38Å | ||
| 576 | I | 30.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 65% | 0.646 | 79% | 0.789 | S | S | * | * | trans | -65.4 | 130.9 | 170.4 | -64.9 | 173 | 0 | 0 | 0 | 108 | A574 Q578 | A574-I576 PolarHBondContact O-N 3.29Å; A574-I576 VanDerWaalsContact O-N 3.1Å; I576-Q578 HydrophobicContact CG2-CB 3.63Å | ||
| 577 | F | 31.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 142 Ų | 142 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -116.2 | 103.5 | 161 | -138.4 | -79.5 | 0 | 0 | 0 | 108.6 | F575 L579 | F575-F577 PolarHBondContact O-N 3.38Å; F577-L579 HydrophobicContact CE1-CD1 4.45Å | ||
| 578 | Q | 30.6 | Very low | 32.2 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -138 | 95.3 | -175.5 | -171.1 | 170.8 | 8.6 | 0 | 0 | 109.3 | I576 | I576-Q578 HydrophobicContact CG2-CB 3.63Š| ||
| 579 | L | 36.2 | Very low | 32.2 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 67% | 0.665 | 78% | 0.784 | S | S | * | * | trans | -149.7 | 141.4 | 171.7 | -76.6 | 174.9 | 0 | 0 | 0 | 107.1 | F577 | F577-L579 HydrophobicContact CE1-CD1 4.45Š| ||
| 580 | E | 30.6 | Very low | 32.4 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | cis | -167.2 | 134.4 | -26.8 | -136 | 174.5 | -162.5 | 0 | 0 | 105.7 | ||||
| 581 | F | 33.3 | Very low | 32 | Very low | 215 Ų | 215 | 141.9 Ų | 141.9 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | -148.2 | 82.7 | 172.2 | -99.5 | -73.8 | 0 | 0 | 0 | 110.5 | ||||
| 582 | Q | 32.2 | Very low | 32.4 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -65.5 | 151.4 | 151.7 | -72.3 | 165.6 | 2.2 | 0 | 0 | 108.4 | ||||
| 583 | D | 33.8 | Very low | 32.3 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -149.4 | 175.5 | -6.1 | -100.1 | -29.6 | 0 | 0 | 0 | 105.5 | ||||
| 584 | V | 30.9 | Very low | 32.4 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | cis | -146.3 | 140.2 | 36.4 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 585 | G | 30.1 | Very low | 32.3 | Very low | 66 Ų | 66 | 144.6 Ų | 144.6 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -75.1 | 167.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 586 | F | 30.5 | Very low | 33.1 | Very low | 218 Ų | 218 | 142.9 Ų | 142.9 | 96% | 0.956 | 79% | 0.788 | S | S | * | * | trans | -116.1 | 138.7 | 154.9 | -121.1 | -97.9 | 0 | 0 | 0 | 108.4 | ||||
| 587 | S | 29.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -71.4 | 136.2 | -168.9 | -167.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 588 | A | 30.3 | Very low | 33.7 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 128.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 589 | A | 32.2 | Very low | 34 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -156 | 152.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 590 | V | 35 | Very low | 34 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 62.3 | 76.3 | 175.9 | -163.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 591 | M | 36.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -148.2 | 52.5 | 158.5 | -121.7 | -67.8 | -91.2 | 0 | 0 | 111.2 | ||||
| 592 | T | 38.9 | Very low | 35.4 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | -151.2 | 45.5 | -178.7 | -34.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 593 | S | 31.1 | Very low | 35.9 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -158.2 | 90.6 | 163.3 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 594 | C | 34.8 | Very low | 36.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -139.9 | 80.4 | 171.9 | -89.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 595 | F | 32.2 | Very low | 37.8 | Very low | 199 Ų | 199 | 130.5 Ų | 130.5 | 87% | 0.873 | 79% | 0.785 | S | S | * | * | trans | -150.3 | 137.1 | 156.4 | -108.8 | -77.4 | 0 | 0 | 0 | 109.1 | ||||
| 596 | L | 43.5 | Very low | 39.1 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 86.2 | 170 | -54.2 | 177.2 | 0 | 0 | 0 | 117.4 | ||||
| 597 | Q | 30.3 | Very low | 40.4 | Very low | 171 Ų | 171 | 125 Ų | 125 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | -155.3 | 128.7 | 120 | -163.4 | 71.9 | -2.3 | 0 | 0 | 108.8 | V599 | Q597-V599 HydrophobicContact CG-CG2 4.02Š| |||
| 598 | A | 45.5 | Very low | 42.4 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | trans | -93.3 | 120.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 599 | V | 37 | Very low | 44.7 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -139.2 | 139.5 | 171.9 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | Q597 | Q597-V599 HydrophobicContact CG-CG2 4.02Š| ||
| 600 | A | 34.4 | Very low | 47 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | -76.5 | 144.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 601 | P | 49.7 | Very low | 49.3 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | trans | -81.1 | 148.4 | 175.3 | 34.2 | -34.7 | 0 | 0 | 0 | 111.9 | ||||
| 602 | A | 44.2 | Very low | 51.5 | Low | 89 Ų | 89 | 120.8 Ų | 120.8 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | trans | -157.8 | -16.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 603 | Q | 42.5 | Very low | 53.9 | Low | 169 Ų | 169 | 119.7 Ų | 119.7 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -128.8 | -10.5 | -174.2 | -73.2 | -168.2 | -25.5 | 0 | 0 | 116 | ||
| 604 | E | 47.5 | Very low | 56.7 | Low | 154 Ų | 154 | 122.5 Ų | 122.5 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.9 | -28.4 | -176.6 | -59.1 | -165.5 | 156.9 | 0 | 0 | 112.8 | S607 T608 | E604-S607 PolarHBondContact O-N 2.97Å; E604-T608 WeakPolarHBondContact O-CG2 3.38Å; E604-T608 PolarHBondContact O-N 3.2Å; E604-T608 PolarHBondContact O-OG1 3.25Å |
| 605 | D | 56.8 | Low | 59.2 | Low | 106 Ų | 106 | 121.7 Ų | 121.7 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.6 | -39.2 | -175.4 | -60 | -72.5 | 0 | 0 | 0 | 113.5 | S607 T608 G609 | D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 3.42Å; D605-T608 WeakPolarHBondContact CA-OG1 3.15Å; D605-T608 PolarHBondContact O-OG1 3.23Å; D605-G609 WeakPolarHBondContact O-CA 3.3Å; D605-G609 PolarHBondContact O-N 3.41Å |
| 606 | V | 58.1 | Low | 61.9 | Low | 88 Ų | 88 | 117.3 Ų | 117.3 | 53% | 0.533 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.6 | -38.7 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | R610 | V606-R610 WeakPolarHBondContact O-CB 3.24Å; V606-R610 VanDerWaalsContact O-CG 3.25Å; V606-R610 WeakPolarHBondContact O-CG 3.4Å; V606-R610 PolarHBondContact O-N 3.18Å |
| 607 | S | 57.8 | Low | 64.3 | Low | 82 Ų | 82 | 117.2 Ų | 117.2 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.5 | -44.5 | -179.8 | -62 | 0 | 0 | 0 | 0 | 111.7 | E604 D605 L611 | E604-S607 PolarHBondContact O-N 2.97Å; D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 3.42Å; S607-L611 WeakPolarHBondContact O-CB 3.44Å; S607-L611 PolarHBondContact O-N 3.49Å |
| 608 | T | 71.9 | Confident | 67.2 | Low | 59 Ų | 59 | 114.1 Ų | 114.1 | 36% | 0.362 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.6 | -34.8 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | E604 D605 L611 R612 | E604-T608 WeakPolarHBondContact O-CG2 3.38Å; E604-T608 PolarHBondContact O-N 3.2Å; E604-T608 PolarHBondContact O-OG1 3.25Å; D605-T608 WeakPolarHBondContact CA-OG1 3.15Å; D605-T608 PolarHBondContact O-OG1 3.23Å; T608-L611 WeakPolarHBondContact O-CB 3.21Å; T608-L611 PolarHBondContact O-N 2.9Å; T608-R612 WeakPolarHBondContact O-CG 3.5Å; T608-R612 PolarHBondContact O-N 3.37Å |
| 609 | G | 79 | Confident | 69.5 | Low | 27 Ų | 27 | 114.5 Ų | 114.5 | 28% | 0.278 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.7 | -49.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D605 L611 R612 L613 | D605-G609 WeakPolarHBondContact O-CA 3.3Å; D605-G609 PolarHBondContact O-N 3.41Å; G609-L611 VanDerWaalsContact C-N 3.32Å; G609-L611 PolarHBondContact O-N 3.37Å; G609-R612 PolarHBondContact O-N 3.04Å; G609-L613 WeakPolarHBondContact O-CG 3.47Å; G609-L613 PolarHBondContact O-N 3.1Å |
| 610 | R | 80.8 | Confident | 72.2 | Confident | 167 Ų | 167 | 112.7 Ų | 112.7 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.4 | -42.1 | 172.8 | -74.2 | 173.3 | -179.1 | -166.2 | 0.7 | 111.9 | V606 R612 L613 Y614 | V606-R610 WeakPolarHBondContact O-CB 3.24Å; V606-R610 VanDerWaalsContact O-CG 3.25Å; V606-R610 WeakPolarHBondContact O-CG 3.4Å; V606-R610 PolarHBondContact O-N 3.18Å; R610-R612 PolarHBondContact O-N 2.89Å; R610-L613 PolarHBondContact O-N 2.89Å; R610-Y614 VanDerWaalsContact O-CD2 3.28Å; R610-Y614 WeakPolarHBondContact O-CD2 3.28Å; R610-Y614 PolarHBondContact O-N 3.5Å |
| 611 | L | 83.2 | Confident | 74.7 | Confident | 100 Ų | 100 | 113.8 Ų | 113.8 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61 | -44.2 | 176.8 | -168.4 | 74.1 | 0 | 0 | 0 | 112.2 | S607 T608 G609 Y614 Q615 | S607-L611 WeakPolarHBondContact O-CB 3.44Å; S607-L611 PolarHBondContact O-N 3.49Å; T608-L611 WeakPolarHBondContact O-CB 3.21Å; T608-L611 PolarHBondContact O-N 2.9Å; G609-L611 VanDerWaalsContact C-N 3.32Å; G609-L611 PolarHBondContact O-N 3.37Å; L611-Y614 PolarHBondContact O-N 2.98Å; L611-Q615 VanDerWaalsContact O-CG 3.32Å; L611-Q615 WeakPolarHBondContact O-CG 3.28Å; L611-Q615 PolarHBondContact O-N 3.15Å |
| 612 | R | 82.9 | Confident | 76.8 | Confident | 175 Ų | 175 | 112.3 Ų | 112.3 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -42.9 | 176.3 | -71.1 | 172 | -172.5 | 172.1 | 6.3 | 111.9 | T608 G609 R610 Y614 Q615 Q616 | T608-R612 WeakPolarHBondContact O-CG 3.5Å; T608-R612 PolarHBondContact O-N 3.37Å; G609-R612 PolarHBondContact O-N 3.04Å; R610-R612 PolarHBondContact O-N 2.89Å; R612-Y614 PolarHBondContact O-N 3.17Å; R612-Q615 PolarHBondContact O-N 2.94Å; R612-Q616 WeakPolarHBondContact O-CB 3.27Å; R612-Q616 PolarHBondContact O-N 3.48Å |
| 613 | L | 88.2 | Confident | 79.1 | Confident | 119 Ų | 119 | 115.5 Ų | 115.5 | 62% | 0.623 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 175.7 | -70.7 | 170.2 | 0 | 0 | 0 | 112.2 | G609 R610 Q616 R617 | G609-L613 WeakPolarHBondContact O-CG 3.47Å; G609-L613 PolarHBondContact O-N 3.1Å; R610-L613 PolarHBondContact O-N 2.89Å; L613-Q616 PolarHBondContact O-N 2.98Å; L613-R617 WeakPolarHBondContact O-CB 3.38Å; L613-R617 PolarHBondContact O-N 2.85Å |
| 614 | Y | 89.3 | Confident | 81.5 | Confident | 163 Ų | 163 | 112.9 Ų | 112.9 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 173.3 | -87.5 | -67.5 | 0 | 0 | 0 | 112.4 | R610 L611 R612 R617 L618 | R610-Y614 VanDerWaalsContact O-CD2 3.28Å; R610-Y614 WeakPolarHBondContact O-CD2 3.28Å; R610-Y614 PolarHBondContact O-N 3.5Å; L611-Y614 PolarHBondContact O-N 2.98Å; R612-Y614 PolarHBondContact O-N 3.17Å; Y614-R617 PolarHBondContact O-N 3.46Å; Y614-L618 WeakPolarHBondContact O-CB 3.47Å; Y614-L618 PolarHBondContact O-N 2.88Å |
| 615 | Q | 88.3 | Confident | 83.5 | Confident | 106 Ų | 106 | 111 Ų | 111 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.8 | -72.5 | 170.6 | -4.4 | 0 | 0 | 111.9 | L611 R612 L618 L619 | L611-Q615 VanDerWaalsContact O-CG 3.32Å; L611-Q615 WeakPolarHBondContact O-CG 3.28Å; L611-Q615 PolarHBondContact O-N 3.15Å; R612-Q615 PolarHBondContact O-N 2.94Å; Q615-L618 WeakPolarHBondContact O-CB 3.39Å; Q615-L618 PolarHBondContact O-N 3.5Å; Q615-L619 WeakPolarHBondContact O-CG 3.33Å; Q615-L619 PolarHBondContact O-N 3.25Å |
| 616 | Q | 89.1 | Confident | 85.2 | Confident | 107 Ų | 107 | 111.1 Ų | 111.1 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 176.5 | -178.2 | 174.5 | -16.2 | 0 | 0 | 111.8 | R612 L613 L618 L619 E620 | R612-Q616 WeakPolarHBondContact O-CB 3.27Å; R612-Q616 PolarHBondContact O-N 3.48Å; L613-Q616 PolarHBondContact O-N 2.98Å; Q616-L618 VanDerWaalsContact C-N 3.26Å; Q616-L618 PolarHBondContact O-N 3.4Å; Q616-L619 PolarHBondContact O-N 3.26Å; Q616-L619 VanDerWaalsContact O-N 3.12Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.33Å; Q616-E620 PolarHBondContact NE2-OE1 3.29Å; Q616-E620 VanDerWaalsContact NE2-OE1 3.1Å; Q616-E620 PolarHBondContact O-N 2.87Å |
| 617 | R | 93.4 | Very high | 86.9 | Confident | 154 Ų | 154 | 115 Ų | 115 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.3 | -38.1 | 174.9 | 179.8 | 176.3 | -77.4 | -176.8 | -3 | 111.8 | L613 Y614 E620 Q621 | L613-R617 WeakPolarHBondContact O-CB 3.38Å; L613-R617 PolarHBondContact O-N 2.85Å; Y614-R617 PolarHBondContact O-N 3.46Å; R617-E620 PolarHBondContact O-N 3.19Å; R617-Q621 WeakPolarHBondContact O-CB 3.39Å; R617-Q621 WeakPolarHBondContact O-CG 3.43Å; R617-Q621 PolarHBondContact O-N 2.95Å |
| 618 | L | 92.4 | Very high | 88.5 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -37.8 | 176.8 | -154 | 86.7 | 0 | 0 | 0 | 112.3 | Y614 Q615 Q616 N622 | Y614-L618 WeakPolarHBondContact O-CB 3.47Å; Y614-L618 PolarHBondContact O-N 2.88Å; Q615-L618 WeakPolarHBondContact O-CB 3.39Å; Q615-L618 PolarHBondContact O-N 3.5Å; Q616-L618 VanDerWaalsContact C-N 3.26Å; Q616-L618 PolarHBondContact O-N 3.4Å; L618-N622 WeakPolarHBondContact O-CB 3.15Å; L618-N622 PolarHBondContact O-N 3.45Å; L618-N622 PolarHBondContact O-ND2 2.95Å |
| 619 | L | 93 | Very high | 89.6 | Confident | 110 Ų | 110 | 113.6 Ų | 113.6 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.3 | -38.8 | 175.5 | -70.8 | 170.7 | 0 | 0 | 0 | 111.9 | Q615 Q616 N622 R623 | Q615-L619 WeakPolarHBondContact O-CG 3.33Å; Q615-L619 PolarHBondContact O-N 3.25Å; Q616-L619 PolarHBondContact O-N 3.26Å; Q616-L619 VanDerWaalsContact O-N 3.12Å; L619-N622 PolarHBondContact O-N 2.91Å; L619-R623 WeakPolarHBondContact O-CG 3.4Å; L619-R623 PolarHBondContact O-N 3.45Å |
| 620 | E | 92.9 | Very high | 90.3 | Very high | 87 Ų | 87 | 117 Ų | 117 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 173.8 | -73.2 | 169.8 | -168.7 | 0 | 0 | 111.6 | Q616 R617 N622 R623 I624 | Q616-E620 WeakPolarHBondContact CG-OE1 3.33Å; Q616-E620 PolarHBondContact NE2-OE1 3.29Å; Q616-E620 VanDerWaalsContact NE2-OE1 3.1Å; Q616-E620 PolarHBondContact O-N 2.87Å; R617-E620 PolarHBondContact O-N 3.19Å; E620-N622 VanDerWaalsContact C-N 3.34Å; E620-N622 PolarHBondContact O-N 2.96Å; E620-R623 PolarHBondContact O-N 3.39Å; E620-I624 VanDerWaalsContact O-CG1 3.31Å; E620-I624 WeakPolarHBondContact O-CG1 3.32Å; E620-I624 PolarHBondContact O-N 2.85Å |
| 621 | Q | 88.6 | Confident | 91 | Very high | 113 Ų | 113 | 111.9 Ų | 111.9 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 173 | -75.9 | 178.3 | -12.9 | 0 | 0 | 112.3 | R617 I624 H625 | R617-Q621 WeakPolarHBondContact O-CB 3.39Å; R617-Q621 WeakPolarHBondContact O-CG 3.43Å; R617-Q621 PolarHBondContact O-N 2.95Å; Q621-I624 PolarHBondContact O-N 2.95Å; Q621-H625 WeakPolarHBondContact O-CB 3.47Å; Q621-H625 PolarHBondContact O-N 3.36Å |
| 622 | N | 92.3 | Very high | 91.4 | Very high | 77 Ų | 77 | 109.9 Ų | 109.9 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 173.9 | -87.8 | -81.6 | 0 | 0 | 0 | 112.6 | L618 L619 E620 H625 Q626 | L618-N622 WeakPolarHBondContact O-CB 3.15Å; L618-N622 PolarHBondContact O-N 3.45Å; L618-N622 PolarHBondContact O-ND2 2.95Å; L619-N622 PolarHBondContact O-N 2.91Å; E620-N622 VanDerWaalsContact C-N 3.34Å; E620-N622 PolarHBondContact O-N 2.96Å; N622-H625 PolarHBondContact O-N 3.32Å; N622-Q626 WeakPolarHBondContact O-CB 3.34Å; N622-Q626 VanDerWaalsContact O-CG 3.27Å; N622-Q626 WeakPolarHBondContact O-CG 3.48Å; N622-Q626 PolarHBondContact O-N 2.87Å |
| 623 | R | 93.4 | Very high | 91.8 | Very high | 157 Ų | 157 | 109.1 Ų | 109.1 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 175.3 | -73.9 | 168.8 | 172.4 | 178.8 | -1.9 | 112.3 | L619 E620 R627 | L619-R623 WeakPolarHBondContact O-CG 3.4Å; L619-R623 PolarHBondContact O-N 3.45Å; E620-R623 PolarHBondContact O-N 3.39Å; R623-R627 VanDerWaalsContact O-CG 3.32Å; R623-R627 WeakPolarHBondContact O-CG 3.38Å; R623-R627 PolarHBondContact O-N 2.95Å; R623-R627 VanDerWaalsContact O-N 3.1Å |
| 624 | I | 92 | Very high | 92.1 | Very high | 113 Ų | 113 | 108.7 Ų | 108.7 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 175.1 | -67.4 | 164.7 | 0 | 0 | 0 | 110.3 | E620 Q621 R627 S628 | E620-I624 VanDerWaalsContact O-CG1 3.31Å; E620-I624 WeakPolarHBondContact O-CG1 3.32Å; E620-I624 PolarHBondContact O-N 2.85Å; Q621-I624 PolarHBondContact O-N 2.95Å; I624-R627 PolarHBondContact O-N 3.47Å; I624-S628 PolarHBondContact O-N 3.33Å |
| 625 | H | 89.7 | Confident | 92.2 | Very high | 114 Ų | 114 | 109 Ų | 109 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 177.3 | -175.7 | 62.9 | 0 | 0 | 0 | 112.6 | Q621 N622 R627 S628 V629 | Q621-H625 WeakPolarHBondContact O-CB 3.47Å; Q621-H625 PolarHBondContact O-N 3.36Å; N622-H625 PolarHBondContact O-N 3.32Å; H625-R627 PolarHBondContact O-N 3.27Å; H625-S628 PolarHBondContact O-N 2.94Å; H625-S628 PolarHBondContact O-OG 3.4Å; H625-V629 WeakPolarHBondContact O-CG2 3.5Å; H625-V629 PolarHBondContact O-N 3.14Å |
| 626 | Q | 92.8 | Very high | 92.5 | Very high | 109 Ų | 109 | 108.7 Ų | 108.7 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 174 | -75.4 | 167.3 | -7.5 | 0 | 0 | 110.9 | N622 S628 V629 E630 | N622-Q626 WeakPolarHBondContact O-CB 3.34Å; N622-Q626 VanDerWaalsContact O-CG 3.27Å; N622-Q626 WeakPolarHBondContact O-CG 3.48Å; N622-Q626 PolarHBondContact O-N 2.87Å; Q626-S628 VanDerWaalsContact C-N 3.33Å; Q626-S628 PolarHBondContact O-N 2.74Å; Q626-V629 PolarHBondContact O-N 3.36Å; Q626-V629 VanDerWaalsContact O-N 3.15Å; Q626-E630 WeakPolarHBondContact O-CG 3.34Å; Q626-E630 PolarHBondContact O-N 2.98Å |
| 627 | R | 93.9 | Very high | 92.7 | Very high | 170 Ų | 170 | 107.8 Ų | 107.8 | 64% | 0.642 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.7 | -39.8 | 174.8 | -71.5 | 171.1 | 177.3 | -177.3 | -1.8 | 112.8 | R623 I624 H625 E630 V631 | R623-R627 VanDerWaalsContact O-CG 3.32Å; R623-R627 WeakPolarHBondContact O-CG 3.38Å; R623-R627 PolarHBondContact O-N 2.95Å; R623-R627 VanDerWaalsContact O-N 3.1Å; I624-R627 PolarHBondContact O-N 3.47Å; H625-R627 PolarHBondContact O-N 3.27Å; R627-E630 PolarHBondContact O-N 2.86Å; R627-V631 WeakPolarHBondContact O-CG2 3.46Å; R627-V631 PolarHBondContact O-N 2.96Å |
| 628 | S | 91.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 106 Ų | 106 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 177.7 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | I624 H625 Q626 A632 | I624-S628 PolarHBondContact O-N 3.33Å; H625-S628 PolarHBondContact O-N 2.94Å; H625-S628 PolarHBondContact O-OG 3.4Å; Q626-S628 VanDerWaalsContact C-N 3.33Å; Q626-S628 PolarHBondContact O-N 2.74Å; S628-A632 WeakPolarHBondContact O-CB 3.25Å; S628-A632 PolarHBondContact O-N 2.9Å |
| 629 | V | 94.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 108.4 Ų | 108.4 | 29% | 0.291 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 173.4 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | H625 Q626 A632 R633 | H625-V629 WeakPolarHBondContact O-CG2 3.5Å; H625-V629 PolarHBondContact O-N 3.14Å; Q626-V629 PolarHBondContact O-N 3.36Å; Q626-V629 VanDerWaalsContact O-N 3.15Å; V629-A632 PolarHBondContact O-N 3.41Å; V629-R633 VanDerWaalsContact O-CG 3.3Å; V629-R633 WeakPolarHBondContact O-CG 3.47Å; V629-R633 PolarHBondContact O-N 3.5Å |
| 630 | E | 95 | Very high | 92.5 | Very high | 98 Ų | 98 | 107.4 Ų | 107.4 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 173.9 | -73.4 | 162.7 | -178.8 | 0 | 0 | 111.7 | Q626 R627 A632 R633 Q634 | Q626-E630 WeakPolarHBondContact O-CG 3.34Å; Q626-E630 PolarHBondContact O-N 2.98Å; R627-E630 PolarHBondContact O-N 2.86Å; E630-A632 VanDerWaalsContact C-N 3.31Å; E630-A632 PolarHBondContact O-N 3.34Å; E630-R633 WeakPolarHBondContact O-CB 3.36Å; E630-R633 PolarHBondContact O-N 2.91Å; E630-R633 VanDerWaalsContact O-N 3.16Å; E630-Q634 WeakPolarHBondContact O-CG 3.33Å; E630-Q634 PolarHBondContact O-N 3.37Å |
| 631 | V | 95.4 | Very high | 92.4 | Very high | 60 Ų | 60 | 110 Ų | 110 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | R627 Q634 R635 | R627-V631 WeakPolarHBondContact O-CG2 3.46Å; R627-V631 PolarHBondContact O-N 2.96Å; V631-Q634 PolarHBondContact O-N 3.44Å; V631-R635 WeakPolarHBondContact O-CG 3.19Å; V631-R635 PolarHBondContact O-N 3.03Å |
| 632 | A | 90.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 106.8 Ų | 106.8 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S628 V629 E630 L636 | S628-A632 WeakPolarHBondContact O-CB 3.25Å; S628-A632 PolarHBondContact O-N 2.9Å; V629-A632 PolarHBondContact O-N 3.41Å; E630-A632 VanDerWaalsContact C-N 3.31Å; E630-A632 PolarHBondContact O-N 3.34Å; A632-L636 VanDerWaalsContact O-CB 3.3Å; A632-L636 WeakPolarHBondContact O-CB 3.29Å; A632-L636 PolarHBondContact O-N 2.94Å |
| 633 | R | 93.2 | Very high | 92.1 | Very high | 160 Ų | 160 | 106.3 Ų | 106.3 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -46.1 | 173 | -73.3 | 169.1 | -179.6 | 177.8 | 0.9 | 111.6 | V629 E630 R635 L636 E637 | V629-R633 VanDerWaalsContact O-CG 3.3Å; V629-R633 WeakPolarHBondContact O-CG 3.47Å; V629-R633 PolarHBondContact O-N 3.5Å; E630-R633 WeakPolarHBondContact O-CB 3.36Å; E630-R633 PolarHBondContact O-N 2.91Å; E630-R633 VanDerWaalsContact O-N 3.16Å; R633-R635 PolarHBondContact O-N 2.9Å; R633-L636 PolarHBondContact O-N 3.05Å; R633-L636 VanDerWaalsContact O-N 3.15Å; R633-E637 PolarHBondContact O-N 2.95Å |
| 634 | Q | 93.8 | Very high | 91.6 | Very high | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 177.1 | -72.8 | 168.4 | -8 | 0 | 0 | 111.5 | E630 V631 L636 E637 E638 | E630-Q634 WeakPolarHBondContact O-CG 3.33Å; E630-Q634 PolarHBondContact O-N 3.37Å; V631-Q634 PolarHBondContact O-N 3.44Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 3.23Å; Q634-E637 WeakPolarHBondContact O-CB 3.37Å; Q634-E637 PolarHBondContact O-N 3.49Å; Q634-E637 VanDerWaalsContact O-N 3.17Å; Q634-E638 VanDerWaalsContact O-CG 3.31Å; Q634-E638 WeakPolarHBondContact O-CG 3.37Å; Q634-E638 PolarHBondContact O-N 3.1Å |
| 635 | R | 92.1 | Very high | 91.2 | Very high | 171 Ų | 171 | 109.2 Ų | 109.2 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -35.6 | 175.8 | -71.4 | 173.4 | 179.3 | -176.6 | 0.2 | 113.2 | V631 R633 Y639 | V631-R635 WeakPolarHBondContact O-CG 3.19Å; V631-R635 PolarHBondContact O-N 3.03Å; R633-R635 PolarHBondContact O-N 2.9Å; R635-Y639 WeakPolarHBondContact O-CB 3.49Å; R635-Y639 PolarHBondContact O-N 3.29Å |
| 636 | L | 93.9 | Very high | 90.2 | Very high | 99 Ų | 99 | 113.7 Ų | 113.7 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | 176.3 | -178.2 | 148.9 | 0 | 0 | 0 | 111.7 | A632 R633 Q634 Q640 | A632-L636 VanDerWaalsContact O-CB 3.3Å; A632-L636 WeakPolarHBondContact O-CB 3.29Å; A632-L636 PolarHBondContact O-N 2.94Å; R633-L636 PolarHBondContact O-N 3.05Å; R633-L636 VanDerWaalsContact O-N 3.15Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 3.23Å; L636-Q640 WeakPolarHBondContact O-CB 3.46Å; L636-Q640 WeakPolarHBondContact O-CG 3.24Å; L636-Q640 PolarHBondContact O-N 2.94Å |
| 637 | E | 93.4 | Very high | 88.5 | Confident | 88 Ų | 88 | 118.3 Ų | 118.3 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 170.8 | -75.8 | -173.2 | -135.3 | 0 | 0 | 112.4 | R633 Q634 Y639 Q640 R641 | R633-E637 PolarHBondContact O-N 2.95Å; Q634-E637 WeakPolarHBondContact O-CB 3.37Å; Q634-E637 PolarHBondContact O-N 3.49Å; Q634-E637 VanDerWaalsContact O-N 3.17Å; E637-Y639 VanDerWaalsContact C-N 3.32Å; E637-Y639 PolarHBondContact O-N 2.92Å; E637-Q640 PolarHBondContact O-N 3.37Å; E637-R641 WeakPolarHBondContact O-CB 3.29Å; E637-R641 WeakPolarHBondContact O-CG 3.31Å; E637-R641 PolarHBondContact O-N 3Å; E637-R641 IonicContact OE2-CZ 2.67Å; E637-R641 IonicContact OE2-NE 3.14Å; E637-R641 IonicContact OE2-NH2 2.69Å; E637-R641 PolarHBondContact OE2-NH2 2.76Å |
| 638 | E | 93.4 | Very high | 88.2 | Confident | 116 Ų | 116 | 115.8 Ų | 115.8 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 173.7 | -73.5 | 165.9 | 176.3 | 0 | 0 | 111 | Q634 R641 A642 | Q634-E638 VanDerWaalsContact O-CG 3.31Å; Q634-E638 WeakPolarHBondContact O-CG 3.37Å; Q634-E638 PolarHBondContact O-N 3.1Å; E638-R641 PolarHBondContact O-N 2.94Å; E638-A642 WeakPolarHBondContact O-CB 3.37Å; E638-A642 PolarHBondContact O-N 3.38Å |
| 639 | Y | 91.9 | Very high | 88.1 | Confident | 157 Ų | 157 | 118.5 Ų | 118.5 | 62% | 0.616 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 175.6 | -172.2 | -106.6 | 0 | 0 | 0 | 112.4 | R635 E637 A642 L643 | R635-Y639 WeakPolarHBondContact O-CB 3.49Å; R635-Y639 PolarHBondContact O-N 3.29Å; E637-Y639 VanDerWaalsContact C-N 3.32Å; E637-Y639 PolarHBondContact O-N 2.92Å; Y639-A642 PolarHBondContact O-N 2.78Å; Y639-L643 HydrophobicContact CD1-CD1 3.92Å; Y639-L643 HydrophobicContact CE1-CD1 3.59Å; Y639-L643 HydrophobicContact CE1-CG 4.23Å; Y639-L643 WeakPolarHBondContact O-CG 3.43Å; Y639-L643 PolarHBondContact O-N 2.84Å |
| 640 | Q | 88.6 | Confident | 87.7 | Confident | 89 Ų | 89 | 122.4 Ų | 122.4 | 42% | 0.416 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.9 | -37.9 | 173.7 | -75.5 | -177.4 | 11.7 | 0 | 0 | 112.8 | L636 E637 L643 R644 | L636-Q640 WeakPolarHBondContact O-CB 3.46Å; L636-Q640 WeakPolarHBondContact O-CG 3.24Å; L636-Q640 PolarHBondContact O-N 2.94Å; E637-Q640 PolarHBondContact O-N 3.37Å; Q640-L643 PolarHBondContact O-N 2.81Å; Q640-R644 WeakPolarHBondContact O-CG 3.23Å; Q640-R644 PolarHBondContact O-N 3.39Å; Q640-R644 VanDerWaalsContact O-N 3.09Å |
| 641 | R | 90.9 | Very high | 87.3 | Confident | 142 Ų | 142 | 123.9 Ų | 123.9 | 54% | 0.536 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.7 | -43 | 174.2 | -67.8 | 165.2 | -161 | -168.3 | 7.4 | 110.5 | E637 E638 L643 R644 I645 | E637-R641 WeakPolarHBondContact O-CB 3.29Å; E637-R641 WeakPolarHBondContact O-CG 3.31Å; E637-R641 PolarHBondContact O-N 3Å; E637-R641 IonicContact OE2-CZ 2.67Å; E637-R641 IonicContact OE2-NE 3.14Å; E637-R641 IonicContact OE2-NH2 2.69Å; E637-R641 PolarHBondContact OE2-NH2 2.76Å; E638-R641 PolarHBondContact O-N 2.94Å; R641-L643 VanDerWaalsContact C-N 3.35Å; R641-L643 PolarHBondContact O-N 3.31Å; R641-R644 CarbonylContact O-C 3.58Å; R641-R644 PolarHBondContact O-N 2.89Å; R641-I645 WeakPolarHBondContact O-CD1 3.43Å; R641-I645 WeakPolarHBondContact O-CG1 3.35Å; R641-I645 PolarHBondContact O-N 2.75Å |
| 642 | A | 88.2 | Confident | 86.8 | Confident | 44 Ų | 44 | 127.9 Ų | 127.9 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E638 Y639 I645 R646 | E638-A642 WeakPolarHBondContact O-CB 3.37Å; E638-A642 PolarHBondContact O-N 3.38Å; Y639-A642 PolarHBondContact O-N 2.78Å; A642-I645 PolarHBondContact O-N 2.92Å; A642-R646 WeakPolarHBondContact O-CG 3.4Å; A642-R646 PolarHBondContact O-N 3.03Å |
| 643 | L | 87 | Confident | 86.5 | Confident | 67 Ų | 67 | 132.5 Ų | 132.5 | 35% | 0.351 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -41.6 | 172.5 | -74.1 | 172.2 | 0 | 0 | 0 | 112.2 | Y639 Q640 R641 I645 R646 H647 | Y639-L643 HydrophobicContact CD1-CD1 3.92Å; Y639-L643 HydrophobicContact CE1-CD1 3.59Å; Y639-L643 HydrophobicContact CE1-CG 4.23Å; Y639-L643 WeakPolarHBondContact O-CG 3.43Å; Y639-L643 PolarHBondContact O-N 2.84Å; Q640-L643 PolarHBondContact O-N 2.81Å; R641-L643 VanDerWaalsContact C-N 3.35Å; R641-L643 PolarHBondContact O-N 3.31Å; L643-I645 PolarHBondContact O-N 3.11Å; L643-I645 VanDerWaalsContact O-N 3.15Å; L643-R646 PolarHBondContact O-N 3.22Å; L643-R646 VanDerWaalsContact O-N 3.07Å; L643-H647 PolarHBondContact O-N 3.42Å |
| 644 | R | 82.6 | Confident | 86.1 | Confident | 188 Ų | 188 | 130.6 Ų | 130.6 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 2.9 | 174.3 | -67.2 | 178 | -170.2 | -178.9 | 5.9 | 115 | Q640 R641 | Q640-R644 WeakPolarHBondContact O-CG 3.23Å; Q640-R644 PolarHBondContact O-N 3.39Å; Q640-R644 VanDerWaalsContact O-N 3.09Å; R641-R644 CarbonylContact O-C 3.58Å; R641-R644 PolarHBondContact O-N 2.89Å |
| 645 | I | 83.1 | Confident | 85.5 | Confident | 144 Ų | 144 | 132.2 Ų | 132.2 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -11.2 | 172.7 | -66.8 | 164 | 0 | 0 | 0 | 110.4 | R641 A642 L643 | R641-I645 WeakPolarHBondContact O-CD1 3.43Å; R641-I645 WeakPolarHBondContact O-CG1 3.35Å; R641-I645 PolarHBondContact O-N 2.75Å; A642-I645 PolarHBondContact O-N 2.92Å; L643-I645 PolarHBondContact O-N 3.11Å; L643-I645 VanDerWaalsContact O-N 3.15Å |
| 646 | R | 69.4 | Low | 84.9 | Confident | 207 Ų | 207 | 129 Ų | 129 | 78% | 0.781 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -6.3 | 177.8 | -69.6 | 179.5 | 174.9 | -164.3 | -1.9 | 113.7 | A642 L643 | A642-R646 WeakPolarHBondContact O-CG 3.4Å; A642-R646 PolarHBondContact O-N 3.03Å; L643-R646 PolarHBondContact O-N 3.22Å; L643-R646 VanDerWaalsContact O-N 3.07Å |
| 647 | H | 56.6 | Low | 84.1 | Confident | 207 Ų | 207 | 131.7 Ų | 131.7 | 96% | 0.958 | 58% | 0.584 | S | S | * | * | trans | -140.7 | 0 | 177.3 | -61.8 | -51 | 0 | 0 | 0 | 109 | L643 | L643-H647 PolarHBondContact O-N 3.42Š|
Retrieved 647 of 647 residues in 200.3 ms
(Link to these results)