| 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 | 59.8 | Low | 76.9 | Confident | 191 Ų | 191 | 109.5 Ų | 109.5 | 94% | 0.941 | 57% | 0.572 | S | S | * | * | 0 | -66.7 | 0 | -66.6 | -128.6 | -73.2 | 0 | 0 | 113.1 | E4 L5 | M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 2.91Å; M1-L5 WeakPolarHBondContact O-CB 3.27Å; M1-L5 PolarHBondContact O-N 3.35Å | |||
| 2 | Q | 64.4 | Low | 77.7 | Confident | 135 Ų | 135 | 105.8 Ų | 105.8 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.5 | -46.1 | 178.4 | -162.2 | 71.9 | 21.2 | 0 | 0 | 112.9 | E4 L5 D6 | Q2-E4 VanDerWaalsContact C-N 3.34Å; Q2-E4 PolarHBondContact O-N 2.81Å; Q2-L5 WeakPolarHBondContact O-CB 3.44Å; Q2-L5 PolarHBondContact O-N 3.47Å; Q2-D6 PolarHBondContact O-N 3.22Å |
| 3 | E | 72.4 | Confident | 78.4 | Confident | 167 Ų | 167 | 102 Ų | 102 | 78% | 0.78 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -33 | 178.4 | -68.6 | 176.8 | 157.1 | 0 | 0 | 113.6 | S7 | E3-S7 WeakPolarHBondContact O-CB 3.32Å; E3-S7 PolarHBondContact O-N 3.18Å |
| 4 | E | 72.3 | Confident | 79.4 | Confident | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.5 | -37.3 | 175.3 | -70.5 | 166.8 | 143.6 | 0 | 0 | 111.2 | M1 Q2 S7 V8 | M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 2.91Å; Q2-E4 VanDerWaalsContact C-N 3.34Å; Q2-E4 PolarHBondContact O-N 2.81Å; E4-S7 PolarHBondContact O-N 3.4Å; E4-V8 VanDerWaalsContact O-CG2 3.27Å; E4-V8 WeakPolarHBondContact O-CG2 3.49Å; E4-V8 PolarHBondContact O-N 3.3Å |
| 5 | L | 76.1 | Confident | 80.1 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 174.2 | -168.4 | 69.6 | 0 | 0 | 0 | 110.7 | M1 Q2 S7 V8 V9 | M1-L5 WeakPolarHBondContact O-CB 3.27Å; M1-L5 PolarHBondContact O-N 3.35Å; Q2-L5 WeakPolarHBondContact O-CB 3.44Å; Q2-L5 PolarHBondContact O-N 3.47Å; L5-S7 VanDerWaalsContact C-N 3.35Å; L5-S7 PolarHBondContact O-N 3.02Å; L5-V8 PolarHBondContact O-N 3.49Å; L5-V9 WeakPolarHBondContact O-CB 3.21Å; L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 2.96Å |
| 6 | D | 79.5 | Confident | 80.8 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 48% | 0.481 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 177.1 | -67.5 | -25.5 | 0 | 0 | 0 | 112.2 | Q2 V9 C10 | Q2-D6 PolarHBondContact O-N 3.22Å; D6-V9 PolarHBondContact O-N 3.23Å; D6-C10 WeakPolarHBondContact O-CB 3.44Å; D6-C10 PolarHBondContact O-N 2.84Å |
| 7 | S | 82.3 | Confident | 81.5 | Confident | 65 Ų | 65 | 106 Ų | 106 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | E3 E4 L5 C10 E11 | E3-S7 WeakPolarHBondContact O-CB 3.32Å; E3-S7 PolarHBondContact O-N 3.18Å; E4-S7 PolarHBondContact O-N 3.4Å; L5-S7 VanDerWaalsContact C-N 3.35Å; L5-S7 PolarHBondContact O-N 3.02Å; S7-C10 PolarHBondContact O-N 3.46Å; S7-E11 PolarHBondContact O-N 3.42Å |
| 8 | V | 82.7 | Confident | 82.2 | Confident | 82 Ų | 82 | 108.2 Ų | 108.2 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -39.8 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111 | E4 L5 E11 C12 | E4-V8 VanDerWaalsContact O-CG2 3.27Å; E4-V8 WeakPolarHBondContact O-CG2 3.49Å; E4-V8 PolarHBondContact O-N 3.3Å; L5-V8 PolarHBondContact O-N 3.49Å; V8-E11 PolarHBondContact O-N 2.96Å; V8-C12 WeakPolarHBondContact O-CB 3.2Å; V8-C12 PolarHBondContact O-N 3.31Å; V8-C12 PolarHBondContact O-SG 2.84Å |
| 9 | V | 84.6 | Confident | 82.8 | Confident | 87 Ų | 87 | 106.7 Ų | 106.7 | 53% | 0.527 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | L5 D6 C12 S13 | L5-V9 WeakPolarHBondContact O-CB 3.21Å; L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 2.96Å; D6-V9 PolarHBondContact O-N 3.23Å; V9-C12 PolarHBondContact O-N 2.97Å; V9-S13 PolarHBondContact O-N 3.48Å |
| 10 | C | 84.6 | Confident | 83.4 | Confident | 53 Ų | 53 | 108.3 Ų | 108.3 | 36% | 0.358 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.1 | -38.3 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | D6 S7 S13 K14 | D6-C10 WeakPolarHBondContact O-CB 3.44Å; D6-C10 PolarHBondContact O-N 2.84Å; S7-C10 PolarHBondContact O-N 3.46Å; C10-S13 PolarHBondContact O-N 2.87Å; C10-S13 PolarHBondContact O-OG 3.36Å; C10-S13 VanDerWaalsContact O-OG 3.12Å; C10-K14 WeakPolarHBondContact O-CG 3.45Å; C10-K14 PolarHBondContact O-N 3.16Å |
| 11 | E | 86.8 | Confident | 83.9 | Confident | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 173.1 | -76.3 | -164.9 | 175.1 | 0 | 0 | 112.6 | S7 V8 K14 K15 | S7-E11 PolarHBondContact O-N 3.42Å; V8-E11 PolarHBondContact O-N 2.96Å; E11-K14 PolarHBondContact O-N 3.32Å; E11-K15 WeakPolarHBondContact O-CB 3.44Å; E11-K15 WeakPolarHBondContact O-CG 3.44Å; E11-K15 PolarHBondContact O-N 2.98Å |
| 12 | C | 86.5 | Confident | 85.6 | Confident | 64 Ų | 64 | 102.7 Ų | 102.7 | 43% | 0.432 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.6 | -75.1 | 0 | 0 | 0 | 0 | 110.8 | V8 V9 K14 K15 E16 | V8-C12 WeakPolarHBondContact O-CB 3.2Å; V8-C12 PolarHBondContact O-N 3.31Å; V8-C12 PolarHBondContact O-SG 2.84Å; V9-C12 PolarHBondContact O-N 2.97Å; C12-K14 PolarHBondContact O-N 3.47Å; C12-K15 PolarHBondContact O-N 2.94Å; C12-E16 WeakPolarHBondContact O-CB 3.34Å; C12-E16 PolarHBondContact O-N 2.9Å |
| 13 | S | 87.5 | Confident | 87 | Confident | 57 Ų | 57 | 103.3 Ų | 103.3 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.3 | 90.4 | 0 | 0 | 0 | 0 | 112 | V9 C10 K15 E16 D17 | V9-S13 PolarHBondContact O-N 3.48Å; C10-S13 PolarHBondContact O-N 2.87Å; C10-S13 PolarHBondContact O-OG 3.36Å; C10-S13 VanDerWaalsContact O-OG 3.12Å; S13-K15 VanDerWaalsContact C-N 3.32Å; S13-K15 PolarHBondContact O-N 3.41Å; S13-E16 WeakPolarHBondContact O-CB 3.4Å; S13-E16 PolarHBondContact O-N 2.88Å; S13-D17 PolarHBondContact O-N 3.26Å |
| 14 | K | 91.6 | Very high | 88.1 | Confident | 128 Ų | 128 | 97.8 Ų | 97.8 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -38.4 | 176.3 | -73.7 | 169.8 | -177.8 | 165.6 | 0 | 112.4 | C10 E11 C12 K18 | C10-K14 WeakPolarHBondContact O-CG 3.45Å; C10-K14 PolarHBondContact O-N 3.16Å; E11-K14 PolarHBondContact O-N 3.32Å; C12-K14 PolarHBondContact O-N 3.47Å; K14-K18 WeakPolarHBondContact O-CB 3.26Å; K14-K18 PolarHBondContact O-N 3.4Å |
| 15 | K | 90.8 | Very high | 89.2 | Confident | 126 Ų | 126 | 96.6 Ų | 96.6 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 174.9 | -75.8 | 172.6 | -178.2 | 164.1 | 0 | 110.8 | E11 C12 S13 K18 I19 | E11-K15 WeakPolarHBondContact O-CB 3.44Å; E11-K15 WeakPolarHBondContact O-CG 3.44Å; E11-K15 PolarHBondContact O-N 2.98Å; C12-K15 PolarHBondContact O-N 2.94Å; S13-K15 VanDerWaalsContact C-N 3.32Å; S13-K15 PolarHBondContact O-N 3.41Å; K15-K18 WeakPolarHBondContact O-CB 3.38Å; K15-K18 PolarHBondContact O-N 3.03Å; K15-I19 WeakPolarHBondContact O-CB 3.4Å; K15-I19 WeakPolarHBondContact O-CD1 3.45Å; K15-I19 WeakPolarHBondContact O-CG1 3.4Å; K15-I19 PolarHBondContact O-N 3.47Å |
| 16 | E | 91.6 | Very high | 90.1 | Very high | 121 Ų | 121 | 95.4 Ų | 95.4 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 175.1 | -147.9 | 75.3 | -133.7 | 0 | 0 | 111.1 | C12 S13 K18 I19 Q20 | C12-E16 WeakPolarHBondContact O-CB 3.34Å; C12-E16 PolarHBondContact O-N 2.9Å; S13-E16 WeakPolarHBondContact O-CB 3.4Å; S13-E16 PolarHBondContact O-N 2.88Å; E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 3.4Å; E16-I19 WeakPolarHBondContact O-CB 3.45Å; E16-I19 PolarHBondContact O-N 2.88Å; E16-I19 VanDerWaalsContact O-N 3.16Å; E16-Q20 PolarHBondContact O-N 2.88Å |
| 17 | D | 92.6 | Very high | 90.9 | Very high | 101 Ų | 101 | 97 Ų | 97 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 175.1 | -69.1 | -27.5 | 0 | 0 | 0 | 111.1 | S13 I19 Q20 D21 | S13-D17 PolarHBondContact O-N 3.26Å; D17-I19 VanDerWaalsContact C-N 3.35Å; D17-I19 PolarHBondContact O-N 3.37Å; D17-Q20 PolarHBondContact O-N 3.3Å; D17-D21 WeakPolarHBondContact O-CB 3.34Å; D17-D21 PolarHBondContact O-N 2.88Å |
| 18 | K | 94 | Very high | 91.5 | Very high | 146 Ų | 146 | 98.1 Ų | 98.1 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -40.9 | 176.8 | -150.6 | 90.8 | 174.6 | -171.8 | 0 | 111.7 | K14 K15 E16 D21 L22 | K14-K18 WeakPolarHBondContact O-CB 3.26Å; K14-K18 PolarHBondContact O-N 3.4Å; K15-K18 WeakPolarHBondContact O-CB 3.38Å; K15-K18 PolarHBondContact O-N 3.03Å; E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 3.4Å; K18-D21 PolarHBondContact O-N 3.07Å; K18-L22 WeakPolarHBondContact O-CB 3.37Å; K18-L22 VanDerWaalsContact O-CG 3.26Å; K18-L22 WeakPolarHBondContact O-CG 3.33Å; K18-L22 PolarHBondContact O-N 3.12Å |
| 19 | I | 93.3 | Very high | 92.1 | Very high | 80 Ų | 80 | 99.8 Ų | 99.8 | 41% | 0.41 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.3 | -73.4 | 163.9 | 0 | 0 | 0 | 109.9 | K15 E16 D17 L22 K23 | K15-I19 WeakPolarHBondContact O-CB 3.4Å; K15-I19 WeakPolarHBondContact O-CD1 3.45Å; K15-I19 WeakPolarHBondContact O-CG1 3.4Å; K15-I19 PolarHBondContact O-N 3.47Å; E16-I19 WeakPolarHBondContact O-CB 3.45Å; E16-I19 PolarHBondContact O-N 2.88Å; E16-I19 VanDerWaalsContact O-N 3.16Å; D17-I19 VanDerWaalsContact C-N 3.35Å; D17-I19 PolarHBondContact O-N 3.37Å; I19-L22 PolarHBondContact O-N 3.42Å; I19-K23 HydrophobicContact CG2-CD 4.41Å; I19-K23 WeakPolarHBondContact O-CB 3.44Å; I19-K23 WeakPolarHBondContact O-CG 3.48Å; I19-K23 PolarHBondContact O-N 3.19Å |
| 20 | Q | 94.1 | Very high | 92.6 | Very high | 138 Ų | 138 | 101.4 Ų | 101.4 | 65% | 0.645 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 177.1 | -172.1 | 166.4 | -14.9 | 0 | 0 | 111.7 | E16 D17 K23 S24 | E16-Q20 PolarHBondContact O-N 2.88Å; D17-Q20 PolarHBondContact O-N 3.3Å; Q20-K23 PolarHBondContact O-N 2.99Å; Q20-S24 PolarHBondContact O-N 3.47Å |
| 21 | D | 95 | Very high | 93.2 | Very high | 81 Ų | 81 | 103.9 Ų | 103.9 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 177.2 | -152.5 | 56.4 | 0 | 0 | 0 | 112.7 | D17 K18 S24 K25 | D17-D21 WeakPolarHBondContact O-CB 3.34Å; D17-D21 PolarHBondContact O-N 2.88Å; K18-D21 PolarHBondContact O-N 3.07Å; D21-S24 PolarHBondContact O-OG 2.87Å; D21-K25 WeakPolarHBondContact O-CG 3.33Å; D21-K25 PolarHBondContact O-N 3.3Å; D21-K25 IonicContact OD2-NZ 2.79Å; D21-K25 PolarHBondContact OD2-NZ 2.85Å |
| 22 | L | 94.2 | Very high | 93.6 | Very high | 100 Ų | 100 | 101.9 Ų | 101.9 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -40.4 | 172.4 | -73.9 | 171.8 | 0 | 0 | 0 | 111.6 | K18 I19 S24 K25 V26 | K18-L22 WeakPolarHBondContact O-CB 3.37Å; K18-L22 VanDerWaalsContact O-CG 3.26Å; K18-L22 WeakPolarHBondContact O-CG 3.33Å; K18-L22 PolarHBondContact O-N 3.12Å; I19-L22 PolarHBondContact O-N 3.42Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-S24 PolarHBondContact O-N 3.27Å; L22-K25 PolarHBondContact O-N 3.46Å; L22-V26 WeakPolarHBondContact O-CG2 3.26Å; L22-V26 PolarHBondContact O-N 3.19Å |
| 23 | K | 94.5 | Very high | 94.1 | Very high | 149 Ų | 149 | 102.5 Ų | 102.5 | 65% | 0.648 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -42 | 174.7 | -84.7 | -179.8 | 176.7 | 175 | 0 | 112 | I19 Q20 V26 K27 | I19-K23 HydrophobicContact CG2-CD 4.41Å; I19-K23 WeakPolarHBondContact O-CB 3.44Å; I19-K23 WeakPolarHBondContact O-CG 3.48Å; I19-K23 PolarHBondContact O-N 3.19Å; Q20-K23 PolarHBondContact O-N 2.99Å; K23-V26 PolarHBondContact O-N 3.46Å; K23-K27 WeakPolarHBondContact O-CB 3.42Å; K23-K27 PolarHBondContact O-N 3.42Å |
| 24 | S | 94.8 | Very high | 94.5 | Very high | 51 Ų | 51 | 103.5 Ų | 103.5 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.1 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | Q20 D21 L22 K27 N28 | Q20-S24 PolarHBondContact O-N 3.47Å; D21-S24 PolarHBondContact O-OG 2.87Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-S24 PolarHBondContact O-N 3.27Å; S24-K27 PolarHBondContact O-N 3.34Å; S24-N28 WeakPolarHBondContact O-CB 3.28Å; S24-N28 PolarHBondContact O-N 2.95Å; S24-N28 PolarHBondContact O-ND2 3.47Å |
| 25 | K | 95.9 | Very high | 94.7 | Very high | 107 Ų | 107 | 103.8 Ų | 103.8 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.1 | -76.7 | 168.9 | -178.6 | 146.8 | 0 | 112.8 | D21 L22 N28 L29 | D21-K25 WeakPolarHBondContact O-CG 3.33Å; D21-K25 PolarHBondContact O-N 3.3Å; D21-K25 IonicContact OD2-NZ 2.79Å; D21-K25 PolarHBondContact OD2-NZ 2.85Å; L22-K25 PolarHBondContact O-N 3.46Å; K25-N28 PolarHBondContact O-N 3.41Å; K25-L29 WeakPolarHBondContact O-CB 3.39Å; K25-L29 VanDerWaalsContact O-CG 3.28Å; K25-L29 WeakPolarHBondContact O-CG 3.45Å; K25-L29 PolarHBondContact O-N 2.88Å |
| 26 | V | 95.3 | Very high | 95 | Very high | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 176.4 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | L22 K23 N28 L29 E30 | L22-V26 WeakPolarHBondContact O-CG2 3.26Å; L22-V26 PolarHBondContact O-N 3.19Å; K23-V26 PolarHBondContact O-N 3.46Å; V26-N28 PolarHBondContact O-N 2.93Å; V26-L29 PolarHBondContact O-N 3.39Å; V26-E30 HydrophobicContact CG1-CG 4.36Å; V26-E30 WeakPolarHBondContact O-CG 3.45Å; V26-E30 PolarHBondContact O-N 3.47Å |
| 27 | K | 95.9 | Very high | 95.3 | Very high | 122 Ų | 122 | 103.2 Ų | 103.2 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.5 | -173.9 | -178.8 | 174.2 | -172.7 | 0 | 112.3 | K23 S24 L29 E30 E31 | K23-K27 WeakPolarHBondContact O-CB 3.42Å; K23-K27 PolarHBondContact O-N 3.42Å; S24-K27 PolarHBondContact O-N 3.34Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 3.3Å; K27-E30 PolarHBondContact O-N 3Å; K27-E31 WeakPolarHBondContact CE-OE1 3.34Å; K27-E31 WeakPolarHBondContact O-CG 3.39Å; K27-E31 PolarHBondContact O-N 2.79Å |
| 28 | N | 95.5 | Very high | 95.5 | Very high | 89 Ų | 89 | 107.3 Ų | 107.3 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.1 | -69.2 | -16.6 | 0 | 0 | 0 | 111.8 | S24 K25 V26 E31 D32 | S24-N28 WeakPolarHBondContact O-CB 3.28Å; S24-N28 PolarHBondContact O-N 2.95Å; S24-N28 PolarHBondContact O-ND2 3.47Å; K25-N28 PolarHBondContact O-N 3.41Å; V26-N28 PolarHBondContact O-N 2.93Å; N28-E31 PolarHBondContact O-N 2.99Å; N28-D32 WeakPolarHBondContact O-CB 3.13Å; N28-D32 PolarHBondContact O-N 3.44Å |
| 29 | L | 94.9 | Very high | 95.6 | Very high | 118 Ų | 118 | 103.7 Ų | 103.7 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.2 | -37.3 | 176.8 | -72 | 171.4 | 0 | 0 | 0 | 112.3 | K25 V26 K27 D32 C33 | K25-L29 WeakPolarHBondContact O-CB 3.39Å; K25-L29 VanDerWaalsContact O-CG 3.28Å; K25-L29 WeakPolarHBondContact O-CG 3.45Å; K25-L29 PolarHBondContact O-N 2.88Å; V26-L29 PolarHBondContact O-N 3.39Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 3.3Å; L29-D32 PolarHBondContact O-N 3.18Å; L29-C33 VanDerWaalsContact O-CB 3.26Å; L29-C33 WeakPolarHBondContact O-CB 3.41Å; L29-C33 PolarHBondContact O-N 2.87Å |
| 30 | E | 95.4 | Very high | 95.8 | Very high | 121 Ų | 121 | 103.2 Ų | 103.2 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -46.3 | 174.3 | -74.8 | 173.4 | 171 | 0 | 0 | 111.4 | V26 K27 D32 C33 V34 | V26-E30 HydrophobicContact CG1-CG 4.36Å; V26-E30 WeakPolarHBondContact O-CG 3.45Å; V26-E30 PolarHBondContact O-N 3.47Å; K27-E30 PolarHBondContact O-N 3Å; E30-D32 VanDerWaalsContact C-N 3.34Å; E30-D32 PolarHBondContact O-N 2.91Å; E30-C33 PolarHBondContact O-N 2.97Å; E30-V34 WeakPolarHBondContact O-CG2 3.5Å; E30-V34 PolarHBondContact O-N 3.42Å |
| 31 | E | 95.9 | Very high | 95.9 | Very high | 104 Ų | 104 | 100.6 Ų | 100.6 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.4 | -72 | 177.5 | -171.2 | 0 | 0 | 111.7 | K27 N28 V34 R35 | K27-E31 WeakPolarHBondContact CE-OE1 3.34Å; K27-E31 WeakPolarHBondContact O-CG 3.39Å; K27-E31 PolarHBondContact O-N 2.79Å; N28-E31 PolarHBondContact O-N 2.99Å; E31-V34 PolarHBondContact O-N 2.86Å; E31-R35 WeakPolarHBondContact O-CB 3.38Å; E31-R35 PolarHBondContact O-N 3.13Å |
| 32 | D | 96.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 100.3 Ų | 100.3 | 33% | 0.326 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 174.8 | -83.6 | 8.4 | 0 | 0 | 0 | 112.3 | N28 L29 E30 R35 Q36 | N28-D32 WeakPolarHBondContact O-CB 3.13Å; N28-D32 PolarHBondContact O-N 3.44Å; L29-D32 PolarHBondContact O-N 3.18Å; E30-D32 VanDerWaalsContact C-N 3.34Å; E30-D32 PolarHBondContact O-N 2.91Å; D32-R35 PolarHBondContact O-N 3Å; D32-R35 IonicContact OD1-CZ 2.92Å; D32-R35 IonicContact OD1-NH1 2.95Å; D32-R35 PolarHBondContact OD1-NH1 3.44Å; D32-R35 IonicContact OD1-NH2 3.98Å; D32-R35 PolarHBondContact OD1-NH2 3.41Å; D32-R35 IonicContact OD2-NH2 2.87Å; D32-R35 PolarHBondContact OD2-NH2 3.05Å; D32-Q36 WeakPolarHBondContact O-CB 3.39Å; D32-Q36 WeakPolarHBondContact O-CG 3.38Å; D32-Q36 PolarHBondContact O-N 3.35Å |
| 33 | C | 96.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 100.9 Ų | 100.9 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 177.5 | -167.8 | 0 | 0 | 0 | 0 | 111 | L29 E30 R35 Q36 Q37 | L29-C33 VanDerWaalsContact O-CB 3.26Å; L29-C33 WeakPolarHBondContact O-CB 3.41Å; L29-C33 PolarHBondContact O-N 2.87Å; E30-C33 PolarHBondContact O-N 2.97Å; C33-R35 PolarHBondContact O-N 3.49Å; C33-Q36 PolarHBondContact O-N 2.86Å; C33-Q37 WeakPolarHBondContact O-CB 3.48Å; C33-Q37 PolarHBondContact O-N 2.73Å |
| 34 | V | 96.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 47% | 0.473 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175 | 173 | 0 | 0 | 0 | 0 | 111.3 | E30 E31 Q37 R38 | E30-V34 WeakPolarHBondContact O-CG2 3.5Å; E30-V34 PolarHBondContact O-N 3.42Å; E31-V34 PolarHBondContact O-N 2.86Å; V34-Q37 PolarHBondContact O-N 2.67Å; V34-R38 WeakPolarHBondContact O-CG 3.43Å; V34-R38 PolarHBondContact O-N 2.99Å |
| 35 | R | 97.1 | Very high | 96.5 | Very high | 133 Ų | 133 | 100.1 Ų | 100.1 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 176.2 | -176.3 | 178.7 | 65.2 | -112.5 | -0.6 | 111.4 | E31 D32 C33 Q37 R38 T39 | E31-R35 WeakPolarHBondContact O-CB 3.38Å; E31-R35 PolarHBondContact O-N 3.13Å; D32-R35 PolarHBondContact O-N 3Å; D32-R35 IonicContact OD1-CZ 2.92Å; D32-R35 IonicContact OD1-NH1 2.95Å; D32-R35 PolarHBondContact OD1-NH1 3.44Å; D32-R35 IonicContact OD1-NH2 3.98Å; D32-R35 PolarHBondContact OD1-NH2 3.41Å; D32-R35 IonicContact OD2-NH2 2.87Å; D32-R35 PolarHBondContact OD2-NH2 3.05Å; C33-R35 PolarHBondContact O-N 3.49Å; R35-Q37 VanDerWaalsContact C-N 3.34Å; R35-Q37 PolarHBondContact O-N 2.94Å; R35-R38 PolarHBondContact O-N 3.3Å; R35-T39 PolarHBondContact O-N 3.37Å; R35-T39 VanDerWaalsContact O-N 3.11Å; R35-T39 PolarHBondContact O-OG1 2.88Å |
| 36 | Q | 96.6 | Very high | 96.5 | Very high | 123 Ų | 123 | 98.6 Ų | 98.6 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 176.9 | -74.9 | 178.6 | -1.8 | 0 | 0 | 111.3 | D32 C33 R38 T39 V40 | D32-Q36 WeakPolarHBondContact O-CB 3.39Å; D32-Q36 WeakPolarHBondContact O-CG 3.38Å; D32-Q36 PolarHBondContact O-N 3.35Å; C33-Q36 PolarHBondContact O-N 2.86Å; Q36-R38 VanDerWaalsContact C-N 3.32Å; Q36-R38 PolarHBondContact O-N 3.46Å; Q36-T39 WeakPolarHBondContact O-CB 3.48Å; Q36-T39 PolarHBondContact O-N 3.27Å; Q36-T39 VanDerWaalsContact O-N 3.13Å; Q36-V40 WeakPolarHBondContact O-CG2 3.41Å; Q36-V40 PolarHBondContact O-N 3.34Å |
| 37 | Q | 96.7 | Very high | 96.7 | Very high | 112 Ų | 112 | 99.1 Ų | 99.1 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 177.4 | -173.3 | 59.8 | 59 | 0 | 0 | 112 | C33 V34 R35 V40 T41 | C33-Q37 WeakPolarHBondContact O-CB 3.48Å; C33-Q37 PolarHBondContact O-N 2.73Å; V34-Q37 PolarHBondContact O-N 2.67Å; R35-Q37 VanDerWaalsContact C-N 3.34Å; R35-Q37 PolarHBondContact O-N 2.94Å; Q37-V40 PolarHBondContact O-N 3.48Å; Q37-T41 PolarHBondContact O-N 3.27Å; Q37-T41 PolarHBondContact O-OG1 3.1Å; Q37-T41 VanDerWaalsContact O-OG1 3.05Å |
| 38 | R | 96.9 | Very high | 96.8 | Very high | 187 Ų | 187 | 98.6 Ų | 98.6 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 174.7 | -71.4 | 175.9 | -176.4 | 179.3 | 2.3 | 112.2 | V34 R35 Q36 T41 S42 | V34-R38 WeakPolarHBondContact O-CG 3.43Å; V34-R38 PolarHBondContact O-N 2.99Å; R35-R38 PolarHBondContact O-N 3.3Å; Q36-R38 VanDerWaalsContact C-N 3.32Å; Q36-R38 PolarHBondContact O-N 3.46Å; R38-T41 PolarHBondContact O-N 3.45Å; R38-S42 WeakPolarHBondContact O-CB 3.32Å; R38-S42 PolarHBondContact O-N 3.07Å |
| 39 | T | 96.8 | Very high | 96.9 | Very high | 70 Ų | 70 | 100.2 Ų | 100.2 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | R35 Q36 S42 Q43 | R35-T39 PolarHBondContact O-N 3.37Å; R35-T39 VanDerWaalsContact O-N 3.11Å; R35-T39 PolarHBondContact O-OG1 2.88Å; Q36-T39 WeakPolarHBondContact O-CB 3.48Å; Q36-T39 PolarHBondContact O-N 3.27Å; Q36-T39 VanDerWaalsContact O-N 3.13Å; T39-S42 PolarHBondContact O-N 3.25Å; T39-Q43 HydrophobicContact CG2-CG 4.35Å; T39-Q43 WeakPolarHBondContact O-CB 3.49Å; T39-Q43 WeakPolarHBondContact O-CG 3.31Å; T39-Q43 PolarHBondContact O-N 3.11Å |
| 40 | V | 97.1 | Very high | 97 | Very high | 71 Ų | 71 | 101.4 Ų | 101.4 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.5 | 170 | 0 | 0 | 0 | 0 | 110.5 | Q36 Q37 S42 Q43 Q44 | Q36-V40 WeakPolarHBondContact O-CG2 3.41Å; Q36-V40 PolarHBondContact O-N 3.34Å; Q37-V40 PolarHBondContact O-N 3.48Å; V40-S42 VanDerWaalsContact C-N 3.33Å; V40-S42 PolarHBondContact O-N 2.99Å; V40-Q43 PolarHBondContact O-N 3.05Å; V40-Q44 WeakPolarHBondContact O-CB 3.33Å; V40-Q44 PolarHBondContact O-N 2.91Å |
| 41 | T | 97.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 112 | Q37 R38 Q44 S45 | Q37-T41 PolarHBondContact O-N 3.27Å; Q37-T41 PolarHBondContact O-OG1 3.1Å; Q37-T41 VanDerWaalsContact O-OG1 3.05Å; R38-T41 PolarHBondContact O-N 3.45Å; T41-Q44 PolarHBondContact O-N 3.35Å; T41-S45 PolarHBondContact O-N 3.48Å; T41-S45 VanDerWaalsContact O-N 3.1Å |
| 42 | S | 97.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 100.4 Ų | 100.4 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -49.6 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | R38 T39 V40 Q44 S45 Q46 | R38-S42 WeakPolarHBondContact O-CB 3.32Å; R38-S42 PolarHBondContact O-N 3.07Å; T39-S42 PolarHBondContact O-N 3.25Å; V40-S42 VanDerWaalsContact C-N 3.33Å; V40-S42 PolarHBondContact O-N 2.99Å; S42-Q44 VanDerWaalsContact C-N 3.32Å; S42-Q44 PolarHBondContact O-N 3.4Å; S42-S45 PolarHBondContact O-N 2.84Å; S42-S45 PolarHBondContact O-OG 3.17Å; S42-Q46 PolarHBondContact O-N 3.47Å; S42-Q46 VanDerWaalsContact O-N 3.08Å |
| 43 | Q | 96.9 | Very high | 97.3 | Very high | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 177 | -72.8 | 175.3 | -16.7 | 0 | 0 | 112.1 | T39 V40 S45 Q46 I47 | T39-Q43 HydrophobicContact CG2-CG 4.35Å; T39-Q43 WeakPolarHBondContact O-CB 3.49Å; T39-Q43 WeakPolarHBondContact O-CG 3.31Å; T39-Q43 PolarHBondContact O-N 3.11Å; V40-Q43 PolarHBondContact O-N 3.05Å; Q43-S45 PolarHBondContact O-N 3.02Å; Q43-Q46 PolarHBondContact O-N 3.26Å; Q43-Q46 VanDerWaalsContact O-N 3.17Å; Q43-I47 VanDerWaalsContact O-CG1 3.31Å; Q43-I47 WeakPolarHBondContact O-CG1 3.5Å; Q43-I47 PolarHBondContact O-N 3.39Å |
| 44 | Q | 97.5 | Very high | 97.4 | Very high | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 176.1 | -158.1 | 79.5 | 8.8 | 0 | 0 | 111 | V40 T41 S42 Q46 I47 E48 | V40-Q44 WeakPolarHBondContact O-CB 3.33Å; V40-Q44 PolarHBondContact O-N 2.91Å; T41-Q44 PolarHBondContact O-N 3.35Å; S42-Q44 VanDerWaalsContact C-N 3.32Å; S42-Q44 PolarHBondContact O-N 3.4Å; Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 3.41Å; Q44-I47 PolarHBondContact O-N 2.87Å; Q44-E48 PolarHBondContact O-N 3.04Å |
| 45 | S | 97.5 | Very high | 97.5 | Very high | 70 Ų | 70 | 105.3 Ų | 105.3 | 49% | 0.49 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.6 | 76.9 | 0 | 0 | 0 | 0 | 113 | T41 S42 Q43 E48 K49 | T41-S45 PolarHBondContact O-N 3.48Å; T41-S45 VanDerWaalsContact O-N 3.1Å; S42-S45 PolarHBondContact O-N 2.84Å; S42-S45 PolarHBondContact O-OG 3.17Å; Q43-S45 PolarHBondContact O-N 3.02Å; S45-E48 WeakPolarHBondContact O-CB 3.45Å; S45-E48 PolarHBondContact O-N 3.35Å; S45-K49 PolarHBondContact O-N 2.97Å |
| 46 | Q | 97.8 | Very high | 97.5 | Very high | 75 Ų | 75 | 104.8 Ų | 104.8 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.4 | -38.2 | 179.6 | -168.1 | 67.4 | 17.7 | 0 | 0 | 111.2 | S42 Q43 Q44 K49 Y50 | S42-Q46 PolarHBondContact O-N 3.47Å; S42-Q46 VanDerWaalsContact O-N 3.08Å; Q43-Q46 PolarHBondContact O-N 3.26Å; Q43-Q46 VanDerWaalsContact O-N 3.17Å; Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 3.41Å; Q46-K49 PolarHBondContact O-N 3.42Å; Q46-Y50 HydrophobicContact CG-CD2 3.84Å; Q46-Y50 HydrophobicContact CG-CE2 3.45Å; Q46-Y50 VanDerWaalsContact CG-CE2 3.45Å; Q46-Y50 PolarHBondContact NE2-OH 3.28Å; Q46-Y50 VanDerWaalsContact NE2-OH 3.15Å; Q46-Y50 WeakPolarHBondContact O-CD2 3.43Å; Q46-Y50 PolarHBondContact O-N 2.99Å |
| 47 | I | 97.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 173.6 | -70.5 | 165.4 | 0 | 0 | 0 | 110.2 | Q43 Q44 K49 Y50 K51 | Q43-I47 VanDerWaalsContact O-CG1 3.31Å; Q43-I47 WeakPolarHBondContact O-CG1 3.5Å; Q43-I47 PolarHBondContact O-N 3.39Å; Q44-I47 PolarHBondContact O-N 2.87Å; I47-K49 VanDerWaalsContact C-N 3.32Å; I47-K49 PolarHBondContact O-N 3.3Å; I47-Y50 PolarHBondContact O-N 3.3Å; I47-K51 HydrophobicContact CG2-CD 4.22Å; I47-K51 HydrophobicContact CG2-CG 4.48Å; I47-K51 WeakPolarHBondContact O-CG 3.37Å; I47-K51 PolarHBondContact O-N 3.41Å |
| 48 | E | 97.9 | Very high | 97.6 | Very high | 111 Ų | 111 | 99.3 Ų | 99.3 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.2 | -47.3 | 175.8 | -156.1 | 96.5 | -152.3 | 0 | 0 | 111 | Q44 S45 Y50 K51 N52 | Q44-E48 PolarHBondContact O-N 3.04Å; S45-E48 WeakPolarHBondContact O-CB 3.45Å; S45-E48 PolarHBondContact O-N 3.35Å; E48-Y50 PolarHBondContact O-N 3.08Å; E48-K51 PolarHBondContact O-N 2.69Å; E48-N52 PolarHBondContact O-N 3.25Å |
| 49 | K | 98.3 | Very high | 97.7 | Very high | 124 Ų | 124 | 96.5 Ų | 96.5 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 178.1 | -175.2 | 178.5 | 178.6 | 178.1 | 0 | 112.3 | S45 Q46 I47 N52 L53 | S45-K49 PolarHBondContact O-N 2.97Å; Q46-K49 PolarHBondContact O-N 3.42Å; I47-K49 VanDerWaalsContact C-N 3.32Å; I47-K49 PolarHBondContact O-N 3.3Å; K49-N52 PolarHBondContact O-N 2.95Å; K49-L53 HydrophobicContact CG-CD1 4.39Å; K49-L53 WeakPolarHBondContact O-CG 3.16Å; K49-L53 PolarHBondContact O-N 3.44Å; K49-L53 VanDerWaalsContact O-N 3.09Å |
| 50 | Y | 97.8 | Very high | 97.8 | Very high | 143 Ų | 143 | 99.5 Ų | 99.5 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69 | -33.4 | 178.5 | -75.2 | -55.2 | 0 | 0 | 0 | 113 | Q46 I47 E48 L53 F54 | Q46-Y50 HydrophobicContact CG-CD2 3.84Å; Q46-Y50 HydrophobicContact CG-CE2 3.45Å; Q46-Y50 VanDerWaalsContact CG-CE2 3.45Å; Q46-Y50 PolarHBondContact NE2-OH 3.28Å; Q46-Y50 VanDerWaalsContact NE2-OH 3.15Å; Q46-Y50 WeakPolarHBondContact O-CD2 3.43Å; Q46-Y50 PolarHBondContact O-N 2.99Å; I47-Y50 PolarHBondContact O-N 3.3Å; E48-Y50 PolarHBondContact O-N 3.08Å; Y50-L53 HydrophobicContact CD1-CD1 4.31Å; Y50-L53 PolarHBondContact O-N 2.94Å; Y50-F54 WeakPolarHBondContact O-CB 3.34Å; Y50-F54 PolarHBondContact O-N 2.92Å |
| 51 | K | 98.1 | Very high | 97.8 | Very high | 122 Ų | 122 | 99.6 Ų | 99.6 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 172.1 | -76 | 176.9 | 177.1 | -179.4 | 0 | 111.4 | I47 E48 L53 F54 E55 | I47-K51 HydrophobicContact CG2-CD 4.22Å; I47-K51 HydrophobicContact CG2-CG 4.48Å; I47-K51 WeakPolarHBondContact O-CG 3.37Å; I47-K51 PolarHBondContact O-N 3.41Å; E48-K51 PolarHBondContact O-N 2.69Å; K51-L53 PolarHBondContact O-N 3.2Å; K51-F54 PolarHBondContact O-N 3.48Å; K51-E55 PolarHBondContact O-N 3.28Å |
| 52 | N | 97.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 100 Ų | 100 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.9 | -67.2 | -13.5 | 0 | 0 | 0 | 111.9 | E48 K49 F54 E55 E56 | E48-N52 PolarHBondContact O-N 3.25Å; K49-N52 PolarHBondContact O-N 2.95Å; N52-F54 VanDerWaalsContact C-N 3.32Å; N52-F54 PolarHBondContact O-N 3.42Å; N52-E55 PolarHBondContact O-N 2.98Å; N52-E56 WeakPolarHBondContact O-CG 3.34Å; N52-E56 PolarHBondContact O-N 3.15Å |
| 53 | L | 98.1 | Very high | 97.9 | Very high | 85 Ų | 85 | 101.9 Ų | 101.9 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 176.9 | -72.4 | 171.8 | 0 | 0 | 0 | 112.6 | K49 Y50 K51 A57 | K49-L53 HydrophobicContact CG-CD1 4.39Å; K49-L53 WeakPolarHBondContact O-CG 3.16Å; K49-L53 PolarHBondContact O-N 3.44Å; K49-L53 VanDerWaalsContact O-N 3.09Å; Y50-L53 HydrophobicContact CD1-CD1 4.31Å; Y50-L53 PolarHBondContact O-N 2.94Å; K51-L53 PolarHBondContact O-N 3.2Å; L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 2.97Å |
| 54 | F | 97.6 | Very high | 98 | Very high | 130 Ų | 130 | 101 Ų | 101 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.7 | -43 | 176.7 | 177.1 | -102.7 | 0 | 0 | 0 | 111.9 | Y50 K51 N52 A57 N58 | Y50-F54 WeakPolarHBondContact O-CB 3.34Å; Y50-F54 PolarHBondContact O-N 2.92Å; K51-F54 PolarHBondContact O-N 3.48Å; N52-F54 VanDerWaalsContact C-N 3.32Å; N52-F54 PolarHBondContact O-N 3.42Å; F54-A57 PolarHBondContact O-N 3.33Å; F54-N58 WeakPolarHBondContact CE1-ND2 3.01Å; F54-N58 WeakPolarHBondContact CZ-ND2 3.35Å; F54-N58 PolarHBondContact O-N 3.29Å |
| 55 | E | 98.1 | Very high | 98 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 175.9 | -73.6 | -179.6 | -167.9 | 0 | 0 | 112.4 | K51 N52 N58 K59 | K51-E55 PolarHBondContact O-N 3.28Å; N52-E55 PolarHBondContact O-N 2.98Å; E55-N58 PolarHBondContact O-N 3.43Å; E55-K59 WeakPolarHBondContact O-CG 3.41Å; E55-K59 PolarHBondContact O-N 3.09Å |
| 56 | E | 98 | Very high | 98 | Very high | 123 Ų | 123 | 105.5 Ų | 105.5 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 174.2 | -75 | 176.2 | -173.4 | 0 | 0 | 111.9 | N52 K59 K60 | N52-E56 WeakPolarHBondContact O-CG 3.34Å; N52-E56 PolarHBondContact O-N 3.15Å; E56-K59 PolarHBondContact O-N 3.05Å; E56-K60 WeakPolarHBondContact O-CB 3.42Å; E56-K60 PolarHBondContact O-N 3.45Å |
| 57 | A | 97.8 | Very high | 98 | Very high | 51 Ų | 51 | 107.5 Ų | 107.5 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L53 F54 K60 C61 | L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 2.97Å; F54-A57 PolarHBondContact O-N 3.33Å; A57-K60 PolarHBondContact O-N 3.07Å; A57-C61 PolarHBondContact O-N 2.91Å |
| 58 | N | 97.9 | Very high | 98.1 | Very high | 69 Ų | 69 | 108.3 Ų | 108.3 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.6 | -81.4 | -20 | 0 | 0 | 0 | 112.2 | F54 E55 K60 C61 D62 | F54-N58 WeakPolarHBondContact CE1-ND2 3.01Å; F54-N58 WeakPolarHBondContact CZ-ND2 3.35Å; F54-N58 PolarHBondContact O-N 3.29Å; E55-N58 PolarHBondContact O-N 3.43Å; N58-K60 PolarHBondContact O-N 2.9Å; N58-C61 WeakPolarHBondContact O-CB 3.15Å; N58-C61 PolarHBondContact O-N 3.3Å; N58-C61 VanDerWaalsContact O-N 3.07Å; N58-D62 PolarHBondContact O-N 2.92Å |
| 59 | K | 98.3 | Very high | 98.1 | Very high | 127 Ų | 127 | 104.7 Ų | 104.7 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.8 | -43.2 | 175.5 | -74.2 | 171 | -176.6 | 168.7 | 0 | 111.2 | E55 E56 D62 E63 | E55-K59 WeakPolarHBondContact O-CG 3.41Å; E55-K59 PolarHBondContact O-N 3.09Å; E56-K59 PolarHBondContact O-N 3.05Å; K59-D62 PolarHBondContact O-N 3.36Å; K59-E63 WeakPolarHBondContact O-CG 3.48Å; K59-E63 PolarHBondContact O-N 3.36Å |
| 60 | K | 98.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -38.4 | 177.1 | -168.7 | 170.8 | -175.5 | 175.1 | 0 | 112.7 | E56 A57 N58 L64 | E56-K60 WeakPolarHBondContact O-CB 3.42Å; E56-K60 PolarHBondContact O-N 3.45Å; A57-K60 PolarHBondContact O-N 3.07Å; N58-K60 PolarHBondContact O-N 2.9Å; K60-L64 HydrophobicContact CG-CD1 4.29Å; K60-L64 WeakPolarHBondContact O-CB 3.33Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 2.73Å |
| 61 | C | 97.9 | Very high | 98.1 | Very high | 74 Ų | 74 | 98.6 Ų | 98.6 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 173.2 | -80.8 | 0 | 0 | 0 | 0 | 111.6 | A57 N58 L64 Q65 | A57-C61 PolarHBondContact O-N 2.91Å; N58-C61 WeakPolarHBondContact O-CB 3.15Å; N58-C61 PolarHBondContact O-N 3.3Å; N58-C61 VanDerWaalsContact O-N 3.07Å; C61-L64 PolarHBondContact O-N 3.3Å; C61-Q65 WeakPolarHBondContact O-CB 3.37Å; C61-Q65 PolarHBondContact O-N 3.04Å |
| 62 | D | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.2 | -68.3 | -20.6 | 0 | 0 | 0 | 111.6 | N58 K59 Q65 Q66 | N58-D62 PolarHBondContact O-N 2.92Å; K59-D62 PolarHBondContact O-N 3.36Å; D62-Q65 PolarHBondContact O-N 2.97Å; D62-Q66 WeakPolarHBondContact O-CG 3.26Å; D62-Q66 PolarHBondContact O-N 2.95Å |
| 63 | E | 98.3 | Very high | 98.1 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 175.4 | -75.6 | 173.5 | -174 | 0 | 0 | 111.9 | K59 Q65 Q66 Q67 | K59-E63 WeakPolarHBondContact O-CG 3.48Å; K59-E63 PolarHBondContact O-N 3.36Å; E63-Q65 VanDerWaalsContact C-N 3.31Å; E63-Q65 PolarHBondContact O-N 3.29Å; E63-Q66 PolarHBondContact O-N 3.47Å; E63-Q67 WeakPolarHBondContact O-CG 3.31Å; E63-Q67 PolarHBondContact O-N 2.9Å |
| 64 | L | 98 | Very high | 98.1 | Very high | 95 Ų | 95 | 104.2 Ų | 104.2 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 177.3 | -74.6 | 171.5 | 0 | 0 | 0 | 111.6 | K60 C61 Q67 L68 | K60-L64 HydrophobicContact CG-CD1 4.29Å; K60-L64 WeakPolarHBondContact O-CB 3.33Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 2.73Å; C61-L64 PolarHBondContact O-N 3.3Å; L64-Q67 PolarHBondContact O-N 2.88Å; L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.38Å; L64-L68 PolarHBondContact O-N 2.96Å |
| 65 | Q | 98.3 | Very high | 98.2 | Very high | 138 Ų | 138 | 102.3 Ų | 102.3 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | 177.7 | -170 | 163.9 | 6.9 | 0 | 0 | 111.8 | C61 D62 E63 S69 | C61-Q65 WeakPolarHBondContact O-CB 3.37Å; C61-Q65 PolarHBondContact O-N 3.04Å; D62-Q65 PolarHBondContact O-N 2.97Å; E63-Q65 VanDerWaalsContact C-N 3.31Å; E63-Q65 PolarHBondContact O-N 3.29Å; Q65-S69 PolarHBondContact O-N 3.37Å |
| 66 | Q | 98.3 | Very high | 98.2 | Very high | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 172.8 | -71.5 | 178.6 | 14.5 | 0 | 0 | 111.7 | D62 E63 L68 S69 S70 | D62-Q66 WeakPolarHBondContact O-CG 3.26Å; D62-Q66 PolarHBondContact O-N 2.95Å; E63-Q66 PolarHBondContact O-N 3.47Å; Q66-L68 PolarHBondContact O-N 3.44Å; Q66-S69 PolarHBondContact O-N 3.35Å; Q66-S69 PolarHBondContact O-OG 3Å; Q66-S70 PolarHBondContact O-N 3.43Å |
| 67 | Q | 98.2 | Very high | 98.2 | Very high | 117 Ų | 117 | 99.4 Ų | 99.4 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 177 | -73.1 | 178.3 | 5.9 | 0 | 0 | 111.8 | E63 L64 S69 S70 V71 | E63-Q67 WeakPolarHBondContact O-CG 3.31Å; E63-Q67 PolarHBondContact O-N 2.9Å; L64-Q67 PolarHBondContact O-N 2.88Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 2.99Å; Q67-S70 WeakPolarHBondContact O-CB 3.45Å; Q67-S70 PolarHBondContact O-N 3.29Å; Q67-S70 VanDerWaalsContact O-N 3.09Å; Q67-V71 WeakPolarHBondContact O-CG2 3.37Å; Q67-V71 PolarHBondContact O-N 3.2Å |
| 68 | L | 98.3 | Very high | 98.2 | Very high | 103 Ų | 103 | 103.8 Ų | 103.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 177.5 | -170.2 | 140.3 | 0 | 0 | 0 | 110.8 | L64 Q66 S70 V71 E72 | L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.38Å; L64-L68 PolarHBondContact O-N 2.96Å; Q66-L68 PolarHBondContact O-N 3.44Å; L68-S70 VanDerWaalsContact C-N 3.27Å; L68-S70 PolarHBondContact O-N 3.48Å; L68-V71 PolarHBondContact O-N 3.31Å; L68-E72 HydrophobicContact CD2-CG 4.27Å; L68-E72 WeakPolarHBondContact CD2-OE1 3.41Å; L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 3.09Å |
| 69 | S | 98.2 | Very high | 98.2 | Very high | 35 Ų | 35 | 106.6 Ų | 106.6 | 25% | 0.245 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -62.1 | -33.4 | 175.9 | 82 | 0 | 0 | 0 | 0 | 113.4 | Q65 Q66 Q67 R73 | Q65-S69 PolarHBondContact O-N 3.37Å; Q66-S69 PolarHBondContact O-N 3.35Å; Q66-S69 PolarHBondContact O-OG 3Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 2.99Å; S69-R73 WeakPolarHBondContact O-CG 3.44Å; S69-R73 PolarHBondContact O-N 3.28Å; S69-R73 PolarHBondContact OG-NH2 3.29Å |
| 70 | S | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 109.7 Ų | 109.7 | 34% | 0.336 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.7 | -48.1 | 176.9 | -167.1 | 0 | 0 | 0 | 0 | 110.9 | Q66 Q67 L68 E72 R73 E74 | Q66-S70 PolarHBondContact O-N 3.43Å; Q67-S70 WeakPolarHBondContact O-CB 3.45Å; Q67-S70 PolarHBondContact O-N 3.29Å; Q67-S70 VanDerWaalsContact O-N 3.09Å; L68-S70 VanDerWaalsContact C-N 3.27Å; L68-S70 PolarHBondContact O-N 3.48Å; S70-E72 VanDerWaalsContact C-N 3.32Å; S70-E72 PolarHBondContact O-N 2.99Å; S70-R73 PolarHBondContact O-N 3.31Å; S70-E74 PolarHBondContact O-N 2.92Å |
| 71 | V | 98.3 | Very high | 98.2 | Very high | 91 Ų | 91 | 107.7 Ų | 107.7 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | Q67 L68 R73 E74 L75 | Q67-V71 WeakPolarHBondContact O-CG2 3.37Å; Q67-V71 PolarHBondContact O-N 3.2Å; L68-V71 PolarHBondContact O-N 3.31Å; V71-R73 PolarHBondContact O-N 3.01Å; V71-E74 PolarHBondContact O-N 3.28Å; V71-L75 WeakPolarHBondContact O-CB 3.33Å; V71-L75 PolarHBondContact O-N 3.3Å |
| 72 | E | 98.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 175.3 | -75.6 | 178.1 | 153.8 | 0 | 0 | 112.5 | L68 S70 L75 E76 | L68-E72 HydrophobicContact CD2-CG 4.27Å; L68-E72 WeakPolarHBondContact CD2-OE1 3.41Å; L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 3.09Å; S70-E72 VanDerWaalsContact C-N 3.32Å; S70-E72 PolarHBondContact O-N 2.99Å; E72-L75 PolarHBondContact O-N 3.43Å; E72-E76 PolarHBondContact O-N 2.96Å |
| 73 | R | 98.4 | Very high | 98.3 | Very high | 170 Ų | 170 | 113.6 Ų | 113.6 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 175.8 | -70.2 | -178.6 | -143.8 | 131.4 | 6.5 | 112 | S69 S70 V71 E76 S77 | S69-R73 WeakPolarHBondContact O-CG 3.44Å; S69-R73 PolarHBondContact O-N 3.28Å; S69-R73 PolarHBondContact OG-NH2 3.29Å; S70-R73 PolarHBondContact O-N 3.31Å; V71-R73 PolarHBondContact O-N 3.01Å; R73-E76 PolarHBondContact O-N 3.42Å; R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.93Å |
| 74 | E | 98.1 | Very high | 98.2 | Very high | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 176 | -73.9 | -179.3 | -162 | 0 | 0 | 111.6 | S70 V71 E76 S77 K78 | S70-E74 PolarHBondContact O-N 2.92Å; V71-E74 PolarHBondContact O-N 3.28Å; E74-E76 VanDerWaalsContact C-N 3.35Å; E74-E76 PolarHBondContact O-N 3.45Å; E74-S77 WeakPolarHBondContact O-CB 3.32Å; E74-S77 PolarHBondContact O-N 2.9Å; E74-K78 WeakPolarHBondContact O-CG 3.39Å; E74-K78 PolarHBondContact O-N 2.9Å |
| 75 | L | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 112.5 Ų | 112.5 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 176.3 | -171.3 | 89.8 | 0 | 0 | 0 | 111.2 | V71 E72 K78 R79 | V71-L75 WeakPolarHBondContact O-CB 3.33Å; V71-L75 PolarHBondContact O-N 3.3Å; E72-L75 PolarHBondContact O-N 3.43Å; L75-K78 PolarHBondContact O-N 2.86Å; L75-R79 WeakPolarHBondContact O-CG 3.46Å; L75-R79 PolarHBondContact O-N 3.47Å |
| 76 | E | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 108.4 Ų | 108.4 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 179.7 | -169.6 | 54.1 | -144.6 | 0 | 0 | 111.8 | E72 R73 E74 K78 R79 R80 | E72-E76 PolarHBondContact O-N 2.96Å; R73-E76 PolarHBondContact O-N 3.42Å; E74-E76 VanDerWaalsContact C-N 3.35Å; E74-E76 PolarHBondContact O-N 3.45Å; E76-K78 PolarHBondContact O-N 3.04Å; E76-R79 PolarHBondContact O-N 3.4Å; E76-R79 IonicContact OE2-NH1 2.75Å; E76-R80 PolarHBondContact O-N 3.29Å |
| 77 | S | 98.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 105.4 Ų | 105.4 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | R73 E74 R80 L81 | R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.93Å; E74-S77 WeakPolarHBondContact O-CB 3.32Å; E74-S77 PolarHBondContact O-N 2.9Å; S77-R80 PolarHBondContact O-N 3.05Å; S77-L81 WeakPolarHBondContact O-CG 3.47Å; S77-L81 PolarHBondContact O-N 3.47Å |
| 78 | K | 98.2 | Very high | 98.1 | Very high | 143 Ų | 143 | 103.2 Ų | 103.2 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 176.9 | -67.4 | -64.3 | -178.3 | -177.3 | 0 | 112.3 | E74 L75 E76 R80 L81 Q82 | E74-K78 WeakPolarHBondContact O-CG 3.39Å; E74-K78 PolarHBondContact O-N 2.9Å; L75-K78 PolarHBondContact O-N 2.86Å; E76-K78 PolarHBondContact O-N 3.04Å; K78-R80 VanDerWaalsContact C-N 3.34Å; K78-R80 PolarHBondContact O-N 3.33Å; K78-L81 PolarHBondContact O-N 3.47Å; K78-Q82 WeakPolarHBondContact O-CB 3.39Å; K78-Q82 PolarHBondContact O-N 3.28Å |
| 79 | R | 98.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.3 | -77.4 | 175.3 | 173.8 | 174.4 | -0.8 | 112 | L75 E76 Q82 K83 | L75-R79 WeakPolarHBondContact O-CG 3.46Å; L75-R79 PolarHBondContact O-N 3.47Å; E76-R79 PolarHBondContact O-N 3.4Å; E76-R79 IonicContact OE2-NH1 2.75Å; R79-Q82 PolarHBondContact O-N 3.29Å; R79-K83 WeakPolarHBondContact O-CG 3.37Å; R79-K83 PolarHBondContact O-N 3.47Å |
| 80 | R | 98.3 | Very high | 98.1 | Very high | 191 Ų | 191 | 106 Ų | 106 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 176.3 | -173.8 | 178.3 | 177 | -177.8 | -0.4 | 111.8 | E76 S77 K78 Q82 K83 Q84 | E76-R80 PolarHBondContact O-N 3.29Å; S77-R80 PolarHBondContact O-N 3.05Å; K78-R80 VanDerWaalsContact C-N 3.34Å; K78-R80 PolarHBondContact O-N 3.33Å; R80-Q82 VanDerWaalsContact C-N 3.33Å; R80-Q82 PolarHBondContact O-N 3.01Å; R80-K83 PolarHBondContact O-N 3.31Å; R80-Q84 PolarHBondContact O-N 3.39Å |
| 81 | L | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 105.9 Ų | 105.9 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.2 | -72.5 | 171.4 | 0 | 0 | 0 | 111.9 | S77 K78 Q84 A85 | S77-L81 WeakPolarHBondContact O-CG 3.47Å; S77-L81 PolarHBondContact O-N 3.47Å; K78-L81 PolarHBondContact O-N 3.47Å; L81-Q84 PolarHBondContact O-N 2.86Å; L81-A85 WeakPolarHBondContact O-CB 3.42Å; L81-A85 PolarHBondContact O-N 3.25Å |
| 82 | Q | 98.1 | Very high | 98.1 | Very high | 139 Ų | 139 | 105 Ų | 105 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -45.2 | 176.3 | -173.9 | -175.1 | 25.3 | 0 | 0 | 111.8 | K78 R79 R80 Q84 A85 A86 | K78-Q82 WeakPolarHBondContact O-CB 3.39Å; K78-Q82 PolarHBondContact O-N 3.28Å; R79-Q82 PolarHBondContact O-N 3.29Å; R80-Q82 VanDerWaalsContact C-N 3.33Å; R80-Q82 PolarHBondContact O-N 3.01Å; Q82-Q84 VanDerWaalsContact C-N 3.34Å; Q82-Q84 PolarHBondContact O-N 3.35Å; Q82-A85 PolarHBondContact O-N 2.98Å; Q82-A86 WeakPolarHBondContact O-CB 3.48Å; Q82-A86 PolarHBondContact O-N 3.08Å |
| 83 | K | 98.3 | Very high | 98.1 | Very high | 152 Ų | 152 | 104.7 Ų | 104.7 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 176.1 | -73.7 | 176.8 | 179.7 | 176 | 0 | 111.7 | R79 R80 A86 S87 | R79-K83 WeakPolarHBondContact O-CG 3.37Å; R79-K83 PolarHBondContact O-N 3.47Å; R80-K83 PolarHBondContact O-N 3.31Å; K83-A86 PolarHBondContact O-N 3.04Å; K83-S87 PolarHBondContact O-N 3.5Å |
| 84 | Q | 97.9 | Very high | 98.1 | Very high | 126 Ų | 126 | 101.1 Ų | 101.1 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 177.2 | -171.5 | 177.2 | 12.1 | 0 | 0 | 111.4 | R80 L81 Q82 A86 S87 S88 | R80-Q84 PolarHBondContact O-N 3.39Å; L81-Q84 PolarHBondContact O-N 2.86Å; Q82-Q84 VanDerWaalsContact C-N 3.34Å; Q82-Q84 PolarHBondContact O-N 3.35Å; Q84-A86 PolarHBondContact O-N 2.88Å; Q84-S87 PolarHBondContact O-N 2.72Å; Q84-S87 PolarHBondContact O-OG 3.46Å; Q84-S88 PolarHBondContact O-N 3.46Å |
| 85 | A | 97.8 | Very high | 98.1 | Very high | 58 Ų | 58 | 104.2 Ų | 104.2 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L81 Q82 S87 S88 Q89 | L81-A85 WeakPolarHBondContact O-CB 3.42Å; L81-A85 PolarHBondContact O-N 3.25Å; Q82-A85 PolarHBondContact O-N 2.98Å; A85-S87 PolarHBondContact O-N 3.26Å; A85-S88 PolarHBondContact O-N 3.37Å; A85-Q89 WeakPolarHBondContact O-CB 3.34Å; A85-Q89 PolarHBondContact O-N 2.96Å |
| 86 | A | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 104.8 Ų | 104.8 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q82 K83 Q84 Q89 S90 | Q82-A86 WeakPolarHBondContact O-CB 3.48Å; Q82-A86 PolarHBondContact O-N 3.08Å; K83-A86 PolarHBondContact O-N 3.04Å; Q84-A86 PolarHBondContact O-N 2.88Å; A86-Q89 PolarHBondContact O-N 2.89Å; A86-S90 WeakPolarHBondContact O-CB 3.42Å; A86-S90 PolarHBondContact O-N 3.28Å |
| 87 | S | 97.5 | Very high | 98.1 | Very high | 75 Ų | 75 | 103.5 Ų | 103.5 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.2 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | K83 Q84 A85 S90 A91 | K83-S87 PolarHBondContact O-N 3.5Å; Q84-S87 PolarHBondContact O-N 2.72Å; Q84-S87 PolarHBondContact O-OG 3.46Å; A85-S87 PolarHBondContact O-N 3.26Å; S87-S90 PolarHBondContact O-N 3.02Å; S87-A91 PolarHBondContact O-N 3.44Å; S87-A91 VanDerWaalsContact O-N 3.08Å |
| 88 | S | 97.6 | Very high | 98.1 | Very high | 71 Ų | 71 | 108.3 Ų | 108.3 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | Q84 A85 A91 T92 | Q84-S88 PolarHBondContact O-N 3.46Å; A85-S88 PolarHBondContact O-N 3.37Å; S88-A91 PolarHBondContact O-N 2.84Å; S88-T92 WeakPolarHBondContact O-CG2 3.49Å; S88-T92 PolarHBondContact O-N 3.29Å; S88-T92 PolarHBondContact O-OG1 3.25Å |
| 89 | Q | 97.9 | Very high | 98.1 | Very high | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -47.3 | 178.2 | -176.7 | 176.7 | 0.4 | 0 | 0 | 111.2 | A85 A86 A91 T92 E93 | A85-Q89 WeakPolarHBondContact O-CB 3.34Å; A85-Q89 PolarHBondContact O-N 2.96Å; A86-Q89 PolarHBondContact O-N 2.89Å; Q89-A91 VanDerWaalsContact C-N 3.32Å; Q89-A91 PolarHBondContact O-N 2.69Å; Q89-T92 WeakPolarHBondContact CA-OG1 3.35Å; Q89-T92 PolarHBondContact O-N 3.33Å; Q89-T92 VanDerWaalsContact O-N 3.15Å; Q89-T92 PolarHBondContact O-OG1 3.39Å; Q89-E93 WeakPolarHBondContact O-CB 3.37Å; Q89-E93 PolarHBondContact O-N 3.06Å |
| 90 | S | 98.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 102.7 Ų | 102.7 | 46% | 0.462 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 176 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | A86 S87 T92 E93 V94 | A86-S90 WeakPolarHBondContact O-CB 3.42Å; A86-S90 PolarHBondContact O-N 3.28Å; S87-S90 PolarHBondContact O-N 3.02Å; S90-T92 VanDerWaalsContact C-N 3.35Å; S90-T92 PolarHBondContact O-N 3.43Å; S90-E93 PolarHBondContact O-N 2.95Å; S90-V94 WeakPolarHBondContact O-CG2 3.46Å; S90-V94 PolarHBondContact O-N 2.89Å |
| 91 | A | 97.9 | Very high | 98.1 | Very high | 44 Ų | 44 | 100.3 Ų | 100.3 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S87 S88 Q89 R95 | S87-A91 PolarHBondContact O-N 3.44Å; S87-A91 VanDerWaalsContact O-N 3.08Å; S88-A91 PolarHBondContact O-N 2.84Å; Q89-A91 VanDerWaalsContact C-N 3.32Å; Q89-A91 PolarHBondContact O-N 2.69Å; A91-R95 WeakPolarHBondContact O-CG 3.49Å; A91-R95 PolarHBondContact O-N 2.91Å |
| 92 | T | 97.8 | Very high | 98.1 | Very high | 73 Ų | 73 | 99.7 Ų | 99.7 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | S88 Q89 S90 R95 L96 | S88-T92 WeakPolarHBondContact O-CG2 3.49Å; S88-T92 PolarHBondContact O-N 3.29Å; S88-T92 PolarHBondContact O-OG1 3.25Å; Q89-T92 WeakPolarHBondContact CA-OG1 3.35Å; Q89-T92 PolarHBondContact O-N 3.33Å; Q89-T92 VanDerWaalsContact O-N 3.15Å; Q89-T92 PolarHBondContact O-OG1 3.39Å; S90-T92 VanDerWaalsContact C-N 3.35Å; S90-T92 PolarHBondContact O-N 3.43Å; T92-R95 PolarHBondContact O-N 3.15Å; T92-L96 WeakPolarHBondContact O-CB 3.4Å; T92-L96 PolarHBondContact O-N 3.27Å |
| 93 | E | 98.4 | Very high | 98.1 | Very high | 110 Ų | 110 | 95.8 Ų | 95.8 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 178.2 | -173.5 | 174.6 | -168.8 | 0 | 0 | 111.5 | Q89 S90 R95 L96 N97 | Q89-E93 WeakPolarHBondContact O-CB 3.37Å; Q89-E93 PolarHBondContact O-N 3.06Å; S90-E93 PolarHBondContact O-N 2.95Å; E93-R95 VanDerWaalsContact C-N 3.34Å; E93-R95 PolarHBondContact O-N 3.39Å; E93-L96 PolarHBondContact O-N 2.87Å; E93-N97 PolarHBondContact O-N 3.02Å; E93-N97 PolarHBondContact O-ND2 3.1Å |
| 94 | V | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 93 Ų | 93 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -43.7 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | S90 N97 R98 | S90-V94 WeakPolarHBondContact O-CG2 3.46Å; S90-V94 PolarHBondContact O-N 2.89Å; V94-N97 PolarHBondContact O-N 3.44Å; V94-R98 PolarHBondContact O-N 3.46Å; V94-R98 VanDerWaalsContact O-N 3.1Å |
| 95 | R | 98.3 | Very high | 98.2 | Very high | 184 Ų | 184 | 92.9 Ų | 92.9 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 177 | -70.8 | 176.9 | -172 | 160.9 | 3.3 | 112 | A91 T92 E93 A99 | A91-R95 WeakPolarHBondContact O-CG 3.49Å; A91-R95 PolarHBondContact O-N 2.91Å; T92-R95 PolarHBondContact O-N 3.15Å; E93-R95 VanDerWaalsContact C-N 3.34Å; E93-R95 PolarHBondContact O-N 3.39Å; R95-A99 WeakPolarHBondContact O-CB 3.41Å; R95-A99 PolarHBondContact O-N 2.92Å |
| 96 | L | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 177.3 | 178 | 62.1 | 0 | 0 | 0 | 111 | T92 E93 R98 A99 L100 | T92-L96 WeakPolarHBondContact O-CB 3.4Å; T92-L96 PolarHBondContact O-N 3.27Å; E93-L96 PolarHBondContact O-N 2.87Å; L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 3.48Å; L96-A99 PolarHBondContact O-N 2.98Å; L96-A99 VanDerWaalsContact O-N 3.14Å; L96-L100 HydrophobicContact CD1-CD1 4.35Å; L96-L100 HydrophobicContact CD1-CG 4.34Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.94Å |
| 97 | N | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 40% | 0.396 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 179.1 | -71.8 | -19.6 | 0 | 0 | 0 | 111.5 | E93 V94 A99 L100 E101 | E93-N97 PolarHBondContact O-N 3.02Å; E93-N97 PolarHBondContact O-ND2 3.1Å; V94-N97 PolarHBondContact O-N 3.44Å; N97-A99 PolarHBondContact O-N 3.34Å; N97-L100 PolarHBondContact O-N 3.14Å; N97-E101 WeakPolarHBondContact O-CG 3.41Å; N97-E101 PolarHBondContact O-N 3.4Å |
| 98 | R | 98.3 | Very high | 98.3 | Very high | 167 Ų | 167 | 100 Ų | 100 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 174.5 | -179.2 | 177.4 | 169.8 | 171.7 | 0.2 | 112.6 | V94 L96 L100 E101 E102 | V94-R98 PolarHBondContact O-N 3.46Å; V94-R98 VanDerWaalsContact O-N 3.1Å; L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 3.48Å; R98-L100 VanDerWaalsContact C-N 3.3Å; R98-L100 PolarHBondContact O-N 2.9Å; R98-E101 PolarHBondContact O-N 3.23Å; R98-E102 IonicContact CZ-OE1 3.34Å; R98-E102 IonicContact NE-OE1 3.11Å; R98-E102 PolarHBondContact NE-OE1 3.43Å; R98-E102 IonicContact NH2-OE1 2.73Å; R98-E102 PolarHBondContact NH2-OE1 2.97Å; R98-E102 WeakPolarHBondContact O-CG 3.42Å; R98-E102 PolarHBondContact O-N 3.4Å |
| 99 | A | 98.1 | Very high | 98.3 | Very high | 54 Ų | 54 | 100.6 Ų | 100.6 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | R95 L96 N97 A103 | R95-A99 WeakPolarHBondContact O-CB 3.41Å; R95-A99 PolarHBondContact O-N 2.92Å; L96-A99 PolarHBondContact O-N 2.98Å; L96-A99 VanDerWaalsContact O-N 3.14Å; N97-A99 PolarHBondContact O-N 3.34Å; A99-A103 WeakPolarHBondContact O-CB 3.34Å; A99-A103 PolarHBondContact O-N 3.44Å |
| 100 | L | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 175.2 | -70.3 | 172.8 | 0 | 0 | 0 | 112.1 | L96 N97 R98 A103 E104 | L96-L100 HydrophobicContact CD1-CD1 4.35Å; L96-L100 HydrophobicContact CD1-CG 4.34Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.94Å; N97-L100 PolarHBondContact O-N 3.14Å; R98-L100 VanDerWaalsContact C-N 3.3Å; R98-L100 PolarHBondContact O-N 2.9Å; L100-A103 PolarHBondContact O-N 3.38Å; L100-E104 PolarHBondContact O-N 3.01Å |
| 101 | E | 98.3 | Very high | 98.3 | Very high | 141 Ų | 141 | 98.9 Ų | 98.9 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -45.2 | 175.1 | -73.4 | 173.9 | -168.8 | 0 | 0 | 111.9 | N97 R98 A103 E104 K105 | N97-E101 WeakPolarHBondContact O-CG 3.41Å; N97-E101 PolarHBondContact O-N 3.4Å; R98-E101 PolarHBondContact O-N 3.23Å; E101-A103 PolarHBondContact O-N 3.5Å; E101-E104 PolarHBondContact O-N 2.97Å; E101-K105 WeakPolarHBondContact O-CB 2.98Å; E101-K105 PolarHBondContact O-N 3.22Å |
| 102 | E | 98.3 | Very high | 98.3 | Very high | 78 Ų | 78 | 103.4 Ų | 103.4 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 176.1 | -72.9 | 176.2 | -168.3 | 0 | 0 | 111.3 | R98 K105 Y106 | R98-E102 IonicContact CZ-OE1 3.34Å; R98-E102 IonicContact NE-OE1 3.11Å; R98-E102 PolarHBondContact NE-OE1 3.43Å; R98-E102 IonicContact NH2-OE1 2.73Å; R98-E102 PolarHBondContact NH2-OE1 2.97Å; R98-E102 WeakPolarHBondContact O-CG 3.42Å; R98-E102 PolarHBondContact O-N 3.4Å; E102-K105 PolarHBondContact O-N 2.98Å; E102-Y106 WeakPolarHBondContact O-CD2 3.5Å; E102-Y106 PolarHBondContact O-N 3.01Å |
| 103 | A | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A99 L100 E101 Y106 K107 | A99-A103 WeakPolarHBondContact O-CB 3.34Å; A99-A103 PolarHBondContact O-N 3.44Å; L100-A103 PolarHBondContact O-N 3.38Å; E101-A103 PolarHBondContact O-N 3.5Å; A103-Y106 PolarHBondContact O-N 3.34Å; A103-K107 WeakPolarHBondContact O-CB 3.11Å; A103-K107 PolarHBondContact O-N 3.38Å |
| 104 | E | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 108 Ų | 108 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 178.2 | -167.6 | 59.7 | -150.2 | 0 | 0 | 111.2 | L100 E101 Y106 K107 V108 | L100-E104 PolarHBondContact O-N 3.01Å; E101-E104 PolarHBondContact O-N 2.97Å; E104-Y106 PolarHBondContact O-N 3.46Å; E104-K107 PolarHBondContact O-N 2.86Å; E104-K107 IonicContact OE1-NZ 3.8Å; E104-K107 PolarHBondContact OE1-NZ 2.96Å; E104-K107 IonicContact OE2-NZ 2.67Å; E104-K107 PolarHBondContact OE2-NZ 3.22Å; E104-V108 WeakPolarHBondContact O-CG2 3.42Å; E104-V108 PolarHBondContact O-N 2.99Å |
| 105 | K | 98.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 108 Ų | 108 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.8 | -51 | 172.6 | 179.8 | -177 | 170.7 | -175.3 | 0 | 111.4 | E101 E102 K107 V108 E109 | E101-K105 WeakPolarHBondContact O-CB 2.98Å; E101-K105 PolarHBondContact O-N 3.22Å; E102-K105 PolarHBondContact O-N 2.98Å; K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 3.41Å; K105-V108 PolarHBondContact O-N 3.4Å; K105-E109 WeakPolarHBondContact CE-OE1 3.3Å; K105-E109 IonicContact NZ-OE1 3.78Å; K105-E109 WeakPolarHBondContact O-CG 3.39Å; K105-E109 PolarHBondContact O-N 3Å |
| 106 | Y | 98.3 | Very high | 98.3 | Very high | 149 Ų | 149 | 102.8 Ų | 102.8 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.6 | -35.3 | 179.8 | -72.4 | -50.6 | 0 | 0 | 0 | 112.9 | E102 A103 E104 E109 L110 | E102-Y106 WeakPolarHBondContact O-CD2 3.5Å; E102-Y106 PolarHBondContact O-N 3.01Å; A103-Y106 PolarHBondContact O-N 3.34Å; E104-Y106 PolarHBondContact O-N 3.46Å; Y106-E109 PolarHBondContact O-N 2.94Å; Y106-L110 VanDerWaalsContact O-CB 3.26Å; Y106-L110 WeakPolarHBondContact O-CB 3.42Å; Y106-L110 PolarHBondContact O-N 2.9Å |
| 107 | K | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 102.6 Ų | 102.6 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 174.8 | 179.8 | 177.9 | 155 | -136.3 | 0 | 111.9 | A103 E104 K105 S111 | A103-K107 WeakPolarHBondContact O-CB 3.11Å; A103-K107 PolarHBondContact O-N 3.38Å; E104-K107 PolarHBondContact O-N 2.86Å; E104-K107 IonicContact OE1-NZ 3.8Å; E104-K107 PolarHBondContact OE1-NZ 2.96Å; E104-K107 IonicContact OE2-NZ 2.67Å; E104-K107 PolarHBondContact OE2-NZ 3.22Å; K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 3.41Å; K107-S111 WeakPolarHBondContact O-CB 3.26Å; K107-S111 PolarHBondContact O-N 3.49Å |
| 108 | V | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 105.1 Ų | 105.1 | 38% | 0.376 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | E104 K105 L110 S111 K112 | E104-V108 WeakPolarHBondContact O-CG2 3.42Å; E104-V108 PolarHBondContact O-N 2.99Å; K105-V108 PolarHBondContact O-N 3.4Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.43Å; V108-S111 PolarHBondContact O-N 3.29Å; V108-K112 HydrophobicContact CG1-CD 4.29Å; V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 3.48Å |
| 109 | E | 98.3 | Very high | 98.3 | Very high | 82 Ų | 82 | 100.3 Ų | 100.3 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 176.8 | -73.5 | 176.7 | -177.1 | 0 | 0 | 111.9 | K105 Y106 S111 K112 L113 | K105-E109 WeakPolarHBondContact CE-OE1 3.3Å; K105-E109 IonicContact NZ-OE1 3.78Å; K105-E109 WeakPolarHBondContact O-CG 3.39Å; K105-E109 PolarHBondContact O-N 3Å; Y106-E109 PolarHBondContact O-N 2.94Å; E109-S111 PolarHBondContact O-N 2.92Å; E109-K112 PolarHBondContact O-N 2.95Å; E109-L113 WeakPolarHBondContact O-CB 3.48Å; E109-L113 WeakPolarHBondContact O-CG 3.48Å; E109-L113 PolarHBondContact O-N 3.28Å |
| 110 | L | 98.3 | Very high | 98.3 | Very high | 84 Ų | 84 | 101.4 Ų | 101.4 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.6 | -177.9 | 65.6 | 0 | 0 | 0 | 112 | Y106 V108 L113 R114 | Y106-L110 VanDerWaalsContact O-CB 3.26Å; Y106-L110 WeakPolarHBondContact O-CB 3.42Å; Y106-L110 PolarHBondContact O-N 2.9Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.43Å; L110-L113 PolarHBondContact O-N 2.91Å; L110-R114 WeakPolarHBondContact O-CB 3.45Å; L110-R114 VanDerWaalsContact O-CG 3.3Å; L110-R114 WeakPolarHBondContact O-CG 3.4Å; L110-R114 PolarHBondContact O-N 3.32Å |
| 111 | S | 98.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 101 Ų | 101 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | K107 V108 E109 R114 Q115 | K107-S111 WeakPolarHBondContact O-CB 3.26Å; K107-S111 PolarHBondContact O-N 3.49Å; V108-S111 PolarHBondContact O-N 3.29Å; E109-S111 PolarHBondContact O-N 2.92Å; S111-R114 PolarHBondContact O-N 3.08Å; S111-Q115 PolarHBondContact O-N 3.02Å |
| 112 | K | 98.4 | Very high | 98.2 | Very high | 140 Ų | 140 | 98 Ų | 98 | 61% | 0.609 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.1 | -49.2 | 175.6 | -71.9 | 176.1 | -179.9 | 179.2 | 0 | 111.7 | V108 E109 R114 Q115 T116 | V108-K112 HydrophobicContact CG1-CD 4.29Å; V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 3.48Å; E109-K112 PolarHBondContact O-N 2.95Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-R114 PolarHBondContact O-N 3.47Å; K112-Q115 PolarHBondContact O-N 3.38Å; K112-Q115 VanDerWaalsContact O-N 3.16Å; K112-T116 PolarHBondContact O-N 3Å; K112-T116 PolarHBondContact O-OG1 3.35Å; K112-T116 VanDerWaalsContact O-OG1 3.1Å |
| 113 | L | 98.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 100.5 Ų | 100.5 | 56% | 0.56 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.2 | -41.8 | 178.1 | -81.1 | 165 | 0 | 0 | 0 | 112.5 | E109 L110 Q115 T116 N117 | E109-L113 WeakPolarHBondContact O-CB 3.48Å; E109-L113 WeakPolarHBondContact O-CG 3.48Å; E109-L113 PolarHBondContact O-N 3.28Å; L110-L113 PolarHBondContact O-N 2.91Å; L113-Q115 VanDerWaalsContact C-N 3.35Å; L113-T116 PolarHBondContact O-N 3.36Å; L113-N117 WeakPolarHBondContact O-CB 3.31Å; L113-N117 PolarHBondContact O-N 2.87Å |
| 114 | R | 98.3 | Very high | 98.1 | Very high | 172 Ų | 172 | 102 Ų | 102 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -43.5 | 175.8 | -77.3 | 175.5 | 174.6 | -177.4 | -0.8 | 111.9 | L110 S111 K112 K118 | L110-R114 WeakPolarHBondContact O-CB 3.45Å; L110-R114 VanDerWaalsContact O-CG 3.3Å; L110-R114 WeakPolarHBondContact O-CG 3.4Å; L110-R114 PolarHBondContact O-N 3.32Å; S111-R114 PolarHBondContact O-N 3.08Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-R114 PolarHBondContact O-N 3.47Å; R114-K118 WeakPolarHBondContact O-CB 3.41Å; R114-K118 PolarHBondContact O-N 3.16Å; R114-K118 VanDerWaalsContact O-N 3.08Å |
| 115 | Q | 98.1 | Very high | 98.1 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 177.8 | -174.8 | 55 | 45 | 0 | 0 | 110.9 | S111 K112 L113 N117 K118 D119 | S111-Q115 PolarHBondContact O-N 3.02Å; K112-Q115 PolarHBondContact O-N 3.38Å; K112-Q115 VanDerWaalsContact O-N 3.16Å; L113-Q115 VanDerWaalsContact C-N 3.35Å; Q115-N117 VanDerWaalsContact C-N 3.34Å; Q115-N117 PolarHBondContact O-N 3.1Å; Q115-K118 WeakPolarHBondContact O-CB 3.49Å; Q115-K118 PolarHBondContact O-N 3.39Å; Q115-K118 VanDerWaalsContact O-N 3.08Å; Q115-D119 VanDerWaalsContact NE2-CG 3.3Å; Q115-D119 PolarHBondContact NE2-OD1 3.02Å; Q115-D119 PolarHBondContact NE2-OD2 3.24Å; Q115-D119 VanDerWaalsContact O-CG 3.28Å; Q115-D119 PolarHBondContact O-N 3.34Å |
| 116 | T | 98.1 | Very high | 98.1 | Very high | 74 Ų | 74 | 103.3 Ų | 103.3 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 176.3 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | K112 L113 K118 D119 I120 | K112-T116 PolarHBondContact O-N 3Å; K112-T116 PolarHBondContact O-OG1 3.35Å; K112-T116 VanDerWaalsContact O-OG1 3.1Å; L113-T116 PolarHBondContact O-N 3.36Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.44Å; T116-D119 PolarHBondContact O-N 2.87Å; T116-I120 HydrophobicContact CG2-CD1 3.82Å; T116-I120 HydrophobicContact CG2-CG1 4.39Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.39Å; T116-I120 PolarHBondContact O-N 2.94Å |
| 117 | N | 97.9 | Very high | 98.1 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 176.7 | -82.7 | -4.8 | 0 | 0 | 0 | 112.6 | L113 Q115 D119 T121 | L113-N117 WeakPolarHBondContact O-CB 3.31Å; L113-N117 PolarHBondContact O-N 2.87Å; Q115-N117 VanDerWaalsContact C-N 3.34Å; Q115-N117 PolarHBondContact O-N 3.1Å; N117-D119 VanDerWaalsContact C-N 3.34Å; N117-T121 WeakPolarHBondContact O-CB 3.42Å; N117-T121 PolarHBondContact O-N 3.03Å; N117-T121 PolarHBondContact O-OG1 2.97Å |
| 118 | K | 98.2 | Very high | 98 | Very high | 126 Ų | 126 | 100.9 Ų | 100.9 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.1 | -173.8 | -179.1 | 178.3 | -175.9 | 0 | 111 | R114 Q115 T116 T121 N122 | R114-K118 WeakPolarHBondContact O-CB 3.41Å; R114-K118 PolarHBondContact O-N 3.16Å; R114-K118 VanDerWaalsContact O-N 3.08Å; Q115-K118 WeakPolarHBondContact O-CB 3.49Å; Q115-K118 PolarHBondContact O-N 3.39Å; Q115-K118 VanDerWaalsContact O-N 3.08Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.44Å; K118-T121 PolarHBondContact O-N 3.39Å; K118-N122 VanDerWaalsContact O-CG 3.28Å; K118-N122 PolarHBondContact O-N 3.45Å; K118-N122 PolarHBondContact O-ND2 3.25Å |
| 119 | D | 97.8 | Very high | 98 | Very high | 66 Ų | 66 | 101.9 Ų | 101.9 | 35% | 0.353 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 179.3 | -63.2 | -27.1 | 0 | 0 | 0 | 111.1 | Q115 T116 N117 T121 N122 E123 | Q115-D119 VanDerWaalsContact NE2-CG 3.3Å; Q115-D119 PolarHBondContact NE2-OD1 3.02Å; Q115-D119 PolarHBondContact NE2-OD2 3.24Å; Q115-D119 VanDerWaalsContact O-CG 3.28Å; Q115-D119 PolarHBondContact O-N 3.34Å; T116-D119 PolarHBondContact O-N 2.87Å; N117-D119 VanDerWaalsContact C-N 3.34Å; D119-T121 VanDerWaalsContact C-N 3.34Å; D119-T121 PolarHBondContact O-N 2.9Å; D119-N122 WeakPolarHBondContact O-CB 3.37Å; D119-N122 PolarHBondContact O-N 2.91Å; D119-N122 VanDerWaalsContact O-N 3.16Å; D119-E123 WeakPolarHBondContact O-CG 3.45Å; D119-E123 PolarHBondContact O-N 2.74Å |
| 120 | I | 97.8 | Very high | 98 | Very high | 77 Ų | 77 | 102.2 Ų | 102.2 | 40% | 0.395 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 174.2 | -67.8 | 167.9 | 0 | 0 | 0 | 111.1 | T116 N122 E123 D124 | T116-I120 HydrophobicContact CG2-CD1 3.82Å; T116-I120 HydrophobicContact CG2-CG1 4.39Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.39Å; T116-I120 PolarHBondContact O-N 2.94Å; I120-N122 VanDerWaalsContact C-N 3.28Å; I120-N122 PolarHBondContact O-N 3.41Å; I120-E123 PolarHBondContact O-N 3.08Å; I120-D124 WeakPolarHBondContact O-CB 3.49Å; I120-D124 PolarHBondContact O-N 3Å |
| 121 | T | 97.8 | Very high | 98 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -39.4 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | N117 K118 D119 H125 | N117-T121 WeakPolarHBondContact O-CB 3.42Å; N117-T121 PolarHBondContact O-N 3.03Å; N117-T121 PolarHBondContact O-OG1 2.97Å; K118-T121 PolarHBondContact O-N 3.39Å; D119-T121 VanDerWaalsContact C-N 3.34Å; D119-T121 PolarHBondContact O-N 2.9Å; T121-H125 WeakPolarHBondContact O-CB 3.34Å; T121-H125 PolarHBondContact O-N 3.26Å |
| 122 | N | 97.7 | Very high | 98 | Very high | 80 Ų | 80 | 103.9 Ų | 103.9 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 176.7 | -74.6 | -21.4 | 0 | 0 | 0 | 112 | K118 D119 I120 H125 Q126 | K118-N122 VanDerWaalsContact O-CG 3.28Å; K118-N122 PolarHBondContact O-N 3.45Å; K118-N122 PolarHBondContact O-ND2 3.25Å; D119-N122 WeakPolarHBondContact O-CB 3.37Å; D119-N122 PolarHBondContact O-N 2.91Å; D119-N122 VanDerWaalsContact O-N 3.16Å; I120-N122 VanDerWaalsContact C-N 3.28Å; I120-N122 PolarHBondContact O-N 3.41Å; N122-H125 PolarHBondContact O-N 3.24Å; N122-Q126 WeakPolarHBondContact O-CG 3.41Å; N122-Q126 PolarHBondContact O-N 3.04Å |
| 123 | E | 97.9 | Very high | 98 | Very high | 130 Ų | 130 | 100.7 Ų | 100.7 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -46 | 176.4 | -74.1 | -179.7 | -178.1 | 0 | 0 | 111.5 | D119 I120 H125 Q126 K127 | D119-E123 WeakPolarHBondContact O-CG 3.45Å; D119-E123 PolarHBondContact O-N 2.74Å; I120-E123 PolarHBondContact O-N 3.08Å; E123-H125 VanDerWaalsContact C-N 3.33Å; E123-H125 PolarHBondContact O-N 2.9Å; E123-Q126 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact O-CB 3.23Å; E123-K127 PolarHBondContact O-N 2.89Å |
| 124 | D | 97.7 | Very high | 98 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.2 | -81.5 | -18 | 0 | 0 | 0 | 111.4 | I120 Q126 K127 I128 | I120-D124 WeakPolarHBondContact O-CB 3.49Å; I120-D124 PolarHBondContact O-N 3Å; D124-Q126 PolarHBondContact O-N 3.39Å; D124-K127 PolarHBondContact O-N 2.88Å; D124-I128 WeakPolarHBondContact O-CB 3.43Å; D124-I128 VanDerWaalsContact O-CG1 3.23Å; D124-I128 WeakPolarHBondContact O-CG1 3.49Å; D124-I128 PolarHBondContact O-N 2.98Å |
| 125 | H | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 175.9 | -171.7 | 70.1 | 0 | 0 | 0 | 111.7 | T121 N122 E123 K127 I128 E129 | T121-H125 WeakPolarHBondContact O-CB 3.34Å; T121-H125 PolarHBondContact O-N 3.26Å; N122-H125 PolarHBondContact O-N 3.24Å; E123-H125 VanDerWaalsContact C-N 3.33Å; E123-H125 PolarHBondContact O-N 2.9Å; H125-K127 PolarHBondContact O-N 3.47Å; H125-I128 PolarHBondContact O-N 3.42Å; H125-E129 WeakPolarHBondContact O-CG 3.31Å; H125-E129 PolarHBondContact O-N 2.98Å |
| 126 | Q | 97.9 | Very high | 98 | Very high | 132 Ų | 132 | 98.2 Ų | 98.2 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 176.6 | -71.4 | 177 | 10.4 | 0 | 0 | 111.7 | N122 E123 D124 I128 E129 V130 | N122-Q126 WeakPolarHBondContact O-CG 3.41Å; N122-Q126 PolarHBondContact O-N 3.04Å; E123-Q126 PolarHBondContact O-N 3.16Å; D124-Q126 PolarHBondContact O-N 3.39Å; Q126-I128 PolarHBondContact O-N 3.48Å; Q126-E129 PolarHBondContact O-N 3.32Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 2.75Å |
| 127 | K | 97.9 | Very high | 98 | Very high | 139 Ų | 139 | 100.7 Ų | 100.7 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 178.6 | -171.3 | 174.3 | -177.2 | 178 | 0 | 112 | E123 D124 H125 E129 V130 L131 | E123-K127 WeakPolarHBondContact O-CB 3.23Å; E123-K127 PolarHBondContact O-N 2.89Å; D124-K127 PolarHBondContact O-N 2.88Å; H125-K127 PolarHBondContact O-N 3.47Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-V130 PolarHBondContact O-N 3.35Å; K127-L131 HydrophobicContact CG-CD1 4.29Å; K127-L131 WeakPolarHBondContact O-CB 3.44Å; K127-L131 WeakPolarHBondContact O-CG 3.36Å; K127-L131 PolarHBondContact O-N 2.87Å |
| 128 | I | 98.1 | Very high | 98 | Very high | 83 Ų | 83 | 100.4 Ų | 100.4 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.1 | -73.8 | 167.5 | 0 | 0 | 0 | 110.7 | D124 H125 Q126 L131 K132 | D124-I128 WeakPolarHBondContact O-CB 3.43Å; D124-I128 VanDerWaalsContact O-CG1 3.23Å; D124-I128 WeakPolarHBondContact O-CG1 3.49Å; D124-I128 PolarHBondContact O-N 2.98Å; H125-I128 PolarHBondContact O-N 3.42Å; Q126-I128 PolarHBondContact O-N 3.48Å; I128-L131 PolarHBondContact O-N 3.31Å; I128-K132 HydrophobicContact CG2-CD 4.12Å; I128-K132 HydrophobicContact CG2-CG 4.4Å; I128-K132 WeakPolarHBondContact O-CB 3.4Å; I128-K132 VanDerWaalsContact O-CG 3.31Å; I128-K132 WeakPolarHBondContact O-CG 3.48Å; I128-K132 PolarHBondContact O-N 3.49Å |
| 129 | E | 98 | Very high | 98 | Very high | 84 Ų | 84 | 100.7 Ų | 100.7 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 179.4 | -72.1 | -55.3 | 120.6 | 0 | 0 | 112.5 | H125 Q126 K127 K132 S133 | H125-E129 WeakPolarHBondContact O-CG 3.31Å; H125-E129 PolarHBondContact O-N 2.98Å; Q126-E129 PolarHBondContact O-N 3.32Å; K127-E129 VanDerWaalsContact C-N 3.35Å; E129-K132 PolarHBondContact O-N 3.08Å; E129-K132 WeakPolarHBondContact OE1-CD 3.27Å; E129-K132 IonicContact OE1-NZ 3.59Å; E129-K132 PolarHBondContact OE1-NZ 3.3Å; E129-S133 PolarHBondContact O-N 2.89Å |
| 130 | V | 98 | Very high | 98 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -52.1 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | Q126 K127 K132 S133 E134 | Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 2.75Å; K127-V130 PolarHBondContact O-N 3.35Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 3.19Å; V130-S133 PolarHBondContact O-N 2.88Å; V130-S133 VanDerWaalsContact O-N 3.08Å; V130-S133 PolarHBondContact O-OG 3.42Å; V130-E134 PolarHBondContact O-N 3Å |
| 131 | L | 98.2 | Very high | 98 | Very high | 94 Ų | 94 | 106.1 Ų | 106.1 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 179.9 | -73.6 | 171.9 | 0 | 0 | 0 | 112.4 | K127 I128 S133 E134 N135 | K127-L131 HydrophobicContact CG-CD1 4.29Å; K127-L131 WeakPolarHBondContact O-CB 3.44Å; K127-L131 WeakPolarHBondContact O-CG 3.36Å; K127-L131 PolarHBondContact O-N 2.87Å; I128-L131 PolarHBondContact O-N 3.31Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.41Å; L131-E134 PolarHBondContact O-N 3.47Å; L131-N135 VanDerWaalsContact O-CB 3.27Å; L131-N135 WeakPolarHBondContact O-CB 3.42Å; L131-N135 PolarHBondContact O-N 3.08Å |
| 132 | K | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 108.7 Ų | 108.7 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 174.2 | -79 | 176.4 | -173.8 | 166.8 | 0 | 111.8 | I128 E129 V130 K136 | I128-K132 HydrophobicContact CG2-CD 4.12Å; I128-K132 HydrophobicContact CG2-CG 4.4Å; I128-K132 WeakPolarHBondContact O-CB 3.4Å; I128-K132 VanDerWaalsContact O-CG 3.31Å; I128-K132 WeakPolarHBondContact O-CG 3.48Å; I128-K132 PolarHBondContact O-N 3.49Å; E129-K132 PolarHBondContact O-N 3.08Å; E129-K132 WeakPolarHBondContact OE1-CD 3.27Å; E129-K132 IonicContact OE1-NZ 3.59Å; E129-K132 PolarHBondContact OE1-NZ 3.3Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 3.19Å; K132-K136 WeakPolarHBondContact O-CG 3.39Å; K132-K136 PolarHBondContact O-N 2.7Å; K132-K136 VanDerWaalsContact O-N 3.08Å |
| 133 | S | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 106.4 Ų | 106.4 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 179.8 | 79 | 0 | 0 | 0 | 0 | 111.9 | E129 V130 L131 K137 | E129-S133 PolarHBondContact O-N 2.89Å; V130-S133 PolarHBondContact O-N 2.88Å; V130-S133 VanDerWaalsContact O-N 3.08Å; V130-S133 PolarHBondContact O-OG 3.42Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.41Å; S133-K137 PolarHBondContact O-N 3.09Å; S133-K137 VanDerWaalsContact O-N 3.12Å |
| 134 | E | 97.9 | Very high | 98.1 | Very high | 105 Ų | 105 | 106.7 Ų | 106.7 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 177.4 | -173.7 | 167.8 | -157.9 | 0 | 0 | 111.5 | V130 L131 K136 K137 L138 | V130-E134 PolarHBondContact O-N 3Å; L131-E134 PolarHBondContact O-N 3.47Å; E134-K136 PolarHBondContact O-N 3Å; E134-K137 WeakPolarHBondContact O-CA 3.44Å; E134-K137 WeakPolarHBondContact O-CB 3.24Å; E134-K137 PolarHBondContact O-N 3.47Å; E134-L138 HydrophobicContact CG-CD1 4.3Å; E134-L138 WeakPolarHBondContact O-CG 3.46Å; E134-L138 PolarHBondContact O-N 2.93Å |
| 135 | N | 98.2 | Very high | 98.1 | Very high | 94 Ų | 94 | 107.8 Ų | 107.8 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 176.4 | -163.7 | -52.3 | 0 | 0 | 0 | 111.4 | L131 K137 L138 E139 | L131-N135 VanDerWaalsContact O-CB 3.27Å; L131-N135 WeakPolarHBondContact O-CB 3.42Å; L131-N135 PolarHBondContact O-N 3.08Å; N135-K137 VanDerWaalsContact C-N 3.28Å; N135-K137 PolarHBondContact O-N 3Å; N135-L138 PolarHBondContact O-N 3.36Å; N135-E139 PolarHBondContact O-N 3.39Å |
| 136 | K | 98.3 | Very high | 98.1 | Very high | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 173 | -75.6 | 176.5 | 179.5 | 176.5 | 0 | 112.7 | K132 E134 R140 | K132-K136 WeakPolarHBondContact O-CG 3.39Å; K132-K136 PolarHBondContact O-N 2.7Å; K132-K136 VanDerWaalsContact O-N 3.08Å; E134-K136 PolarHBondContact O-N 3Å; K136-R140 WeakPolarHBondContact O-CG 3.42Å; K136-R140 PolarHBondContact O-N 3.07Å |
| 137 | K | 98.4 | Very high | 98.1 | Very high | 125 Ų | 125 | 105.2 Ų | 105.2 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 177.1 | -175.2 | -177.5 | 176.5 | -174.9 | 0 | 111.1 | S133 E134 N135 R140 Q141 | S133-K137 PolarHBondContact O-N 3.09Å; S133-K137 VanDerWaalsContact O-N 3.12Å; E134-K137 WeakPolarHBondContact O-CA 3.44Å; E134-K137 WeakPolarHBondContact O-CB 3.24Å; E134-K137 PolarHBondContact O-N 3.47Å; N135-K137 VanDerWaalsContact C-N 3.28Å; N135-K137 PolarHBondContact O-N 3Å; K137-R140 PolarHBondContact O-N 3.3Å; K137-Q141 WeakPolarHBondContact O-CG 3.36Å; K137-Q141 PolarHBondContact O-N 2.92Å |
| 138 | L | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.5 | -70.6 | 172.3 | 0 | 0 | 0 | 111.9 | E134 N135 R140 Q141 K142 | E134-L138 HydrophobicContact CG-CD1 4.3Å; E134-L138 WeakPolarHBondContact O-CG 3.46Å; E134-L138 PolarHBondContact O-N 2.93Å; N135-L138 PolarHBondContact O-N 3.36Å; L138-R140 PolarHBondContact O-N 3.49Å; L138-Q141 PolarHBondContact O-N 3.4Å; L138-K142 WeakPolarHBondContact O-CB 3.37Å; L138-K142 PolarHBondContact O-N 3.4Å |
| 139 | E | 98.1 | Very high | 98.1 | Very high | 131 Ų | 131 | 101.1 Ų | 101.1 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 175.1 | -77.5 | -163.4 | 154 | 0 | 0 | 112.4 | N135 K142 G143 | N135-E139 PolarHBondContact O-N 3.39Å; E139-K142 PolarHBondContact O-N 3.44Å; E139-G143 PolarHBondContact O-N 3.46Å |
| 140 | R | 98.1 | Very high | 98.2 | Very high | 163 Ų | 163 | 103.4 Ų | 103.4 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -48.9 | 175.5 | -70.1 | 177.6 | -165.4 | 133 | -1.1 | 111.7 | K136 K137 L138 K142 G143 E144 | K136-R140 WeakPolarHBondContact O-CG 3.42Å; K136-R140 PolarHBondContact O-N 3.07Å; K137-R140 PolarHBondContact O-N 3.3Å; L138-R140 PolarHBondContact O-N 3.49Å; R140-K142 VanDerWaalsContact C-N 3.32Å; R140-K142 PolarHBondContact O-N 3.37Å; R140-G143 WeakPolarHBondContact O-CA 3.48Å; R140-G143 PolarHBondContact O-N 2.88Å; R140-E144 WeakPolarHBondContact O-CG 3.32Å; R140-E144 PolarHBondContact O-N 3.12Å |
| 141 | Q | 98.1 | Very high | 98.2 | Very high | 95 Ų | 95 | 106.2 Ų | 106.2 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 178.1 | -72.3 | 179.1 | -26.6 | 0 | 0 | 111.8 | K137 L138 G143 E144 L145 | K137-Q141 WeakPolarHBondContact O-CG 3.36Å; K137-Q141 PolarHBondContact O-N 2.92Å; L138-Q141 PolarHBondContact O-N 3.4Å; Q141-G143 VanDerWaalsContact C-N 3.34Å; Q141-G143 PolarHBondContact O-N 3.28Å; Q141-E144 PolarHBondContact O-N 2.87Å; Q141-L145 WeakPolarHBondContact O-CB 3.46Å; Q141-L145 PolarHBondContact O-N 2.9Å |
| 142 | K | 98.3 | Very high | 98.2 | Very high | 145 Ų | 145 | 107 Ų | 107 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 173.3 | -177.9 | -177.4 | 176.5 | -177.2 | 0 | 111.1 | L138 E139 R140 L145 M146 | L138-K142 WeakPolarHBondContact O-CB 3.37Å; L138-K142 PolarHBondContact O-N 3.4Å; E139-K142 PolarHBondContact O-N 3.44Å; R140-K142 VanDerWaalsContact C-N 3.32Å; R140-K142 PolarHBondContact O-N 3.37Å; K142-L145 PolarHBondContact O-N 3.02Å; K142-M146 WeakPolarHBondContact O-CB 3.38Å; K142-M146 VanDerWaalsContact O-CG 3.24Å; K142-M146 WeakPolarHBondContact O-CG 3.4Å; K142-M146 PolarHBondContact O-N 3.33Å |
| 143 | G | 97.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 107.2 Ų | 107.2 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E139 R140 Q141 L145 M146 I147 | E139-G143 PolarHBondContact O-N 3.46Å; R140-G143 WeakPolarHBondContact O-CA 3.48Å; R140-G143 PolarHBondContact O-N 2.88Å; Q141-G143 VanDerWaalsContact C-N 3.34Å; Q141-G143 PolarHBondContact O-N 3.28Å; G143-L145 PolarHBondContact O-N 3Å; G143-M146 PolarHBondContact O-N 3.31Å; G143-I147 WeakPolarHBondContact O-CG1 3.37Å; G143-I147 PolarHBondContact O-N 3.04Å |
| 144 | E | 97.9 | Very high | 98.2 | Very high | 137 Ų | 137 | 110.8 Ų | 110.8 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 176.5 | -71.7 | 171 | -169.9 | 0 | 0 | 111.7 | R140 Q141 M146 I147 G148 | R140-E144 WeakPolarHBondContact O-CG 3.32Å; R140-E144 PolarHBondContact O-N 3.12Å; Q141-E144 PolarHBondContact O-N 2.87Å; E144-M146 PolarHBondContact O-N 3.22Å; E144-I147 PolarHBondContact O-N 3.1Å; E144-G148 PolarHBondContact O-N 2.94Å |
| 145 | L | 98.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 110.3 Ų | 110.3 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 177.6 | -173.1 | 65.7 | 0 | 0 | 0 | 111.7 | Q141 K142 G143 I147 G148 F149 | Q141-L145 WeakPolarHBondContact O-CB 3.46Å; Q141-L145 PolarHBondContact O-N 2.9Å; K142-L145 PolarHBondContact O-N 3.02Å; G143-L145 PolarHBondContact O-N 3Å; L145-I147 VanDerWaalsContact C-N 3.32Å; L145-I147 PolarHBondContact O-N 3.24Å; L145-G148 WeakPolarHBondContact O-CA 3.46Å; L145-G148 PolarHBondContact O-N 3.45Å; L145-G148 VanDerWaalsContact O-N 3.14Å; L145-F149 HydrophobicContact CD1-CD2 4.41Å; L145-F149 HydrophobicContact CD1-CE2 3.96Å; L145-F149 HydrophobicContact CD1-CZ 4.46Å; L145-F149 HydrophobicContact CD2-CE2 3.97Å; L145-F149 HydrophobicContact CG-CD2 3.97Å; L145-F149 HydrophobicContact CG-CE2 3.65Å; L145-F149 WeakPolarHBondContact O-CD2 3.47Å; L145-F149 PolarHBondContact O-N 3.23Å |
| 146 | M | 98.1 | Very high | 98.2 | Very high | 97 Ų | 97 | 109.7 Ų | 109.7 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 175.9 | -73.3 | -58.8 | -62.6 | 0 | 0 | 112.4 | K142 G143 E144 K150 | K142-M146 WeakPolarHBondContact O-CB 3.38Å; K142-M146 VanDerWaalsContact O-CG 3.24Å; K142-M146 WeakPolarHBondContact O-CG 3.4Å; K142-M146 PolarHBondContact O-N 3.33Å; G143-M146 PolarHBondContact O-N 3.31Å; E144-M146 PolarHBondContact O-N 3.22Å; M146-K150 WeakPolarHBondContact O-CG 3.48Å; M146-K150 PolarHBondContact O-N 3.41Å; M146-K150 VanDerWaalsContact O-N 3.09Å |
| 147 | I | 98.3 | Very high | 98.2 | Very high | 96 Ų | 96 | 108.6 Ų | 108.6 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 173.4 | -68.1 | 166.3 | 0 | 0 | 0 | 110.1 | G143 E144 L145 K150 K151 | G143-I147 WeakPolarHBondContact O-CG1 3.37Å; G143-I147 PolarHBondContact O-N 3.04Å; E144-I147 PolarHBondContact O-N 3.1Å; L145-I147 VanDerWaalsContact C-N 3.32Å; L145-I147 PolarHBondContact O-N 3.24Å; I147-K150 PolarHBondContact O-N 2.94Å; I147-K151 HydrophobicContact CG2-CD 4.39Å; I147-K151 WeakPolarHBondContact O-CG 3.42Å; I147-K151 PolarHBondContact O-N 3.14Å |
| 148 | G | 98.2 | Very high | 98.2 | Very high | 29 Ų | 29 | 107 Ų | 107 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56 | -51.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E144 L145 K150 K151 Q152 | E144-G148 PolarHBondContact O-N 2.94Å; L145-G148 WeakPolarHBondContact O-CA 3.46Å; L145-G148 PolarHBondContact O-N 3.45Å; L145-G148 VanDerWaalsContact O-N 3.14Å; G148-K150 PolarHBondContact O-N 3.15Å; G148-K151 WeakPolarHBondContact O-CB 3.49Å; G148-K151 PolarHBondContact O-N 3.33Å; G148-K151 VanDerWaalsContact O-N 3.15Å; G148-Q152 PolarHBondContact O-N 3.41Å |
| 149 | F | 98.2 | Very high | 98.1 | Very high | 106 Ų | 106 | 106.8 Ų | 106.8 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 177.1 | -80.6 | -54.8 | 0 | 0 | 0 | 112.7 | L145 K151 Q152 L153 | L145-F149 HydrophobicContact CD1-CD2 4.41Å; L145-F149 HydrophobicContact CD1-CE2 3.96Å; L145-F149 HydrophobicContact CD1-CZ 4.46Å; L145-F149 HydrophobicContact CD2-CE2 3.97Å; L145-F149 HydrophobicContact CG-CD2 3.97Å; L145-F149 HydrophobicContact CG-CE2 3.65Å; L145-F149 WeakPolarHBondContact O-CD2 3.47Å; L145-F149 PolarHBondContact O-N 3.23Å; F149-K151 VanDerWaalsContact C-N 3.3Å; F149-K151 PolarHBondContact O-N 3.37Å; F149-Q152 PolarHBondContact O-N 2.9Å; F149-L153 WeakPolarHBondContact O-CG 3.47Å; F149-L153 PolarHBondContact O-N 2.94Å |
| 150 | K | 98.4 | Very high | 98.1 | Very high | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -39.6 | 176.1 | -74.6 | 176.3 | -179.1 | -179 | 0 | 112.2 | M146 I147 G148 K154 | M146-K150 WeakPolarHBondContact O-CG 3.48Å; M146-K150 PolarHBondContact O-N 3.41Å; M146-K150 VanDerWaalsContact O-N 3.09Å; I147-K150 PolarHBondContact O-N 2.94Å; G148-K150 PolarHBondContact O-N 3.15Å; K150-K154 PolarHBondContact O-N 2.91Å |
| 151 | K | 98.4 | Very high | 98.1 | Very high | 147 Ų | 147 | 107.6 Ų | 107.6 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 175.9 | -71.7 | 178 | 178.7 | -179.2 | 0 | 111.6 | I147 G148 F149 K154 L155 | I147-K151 HydrophobicContact CG2-CD 4.39Å; I147-K151 WeakPolarHBondContact O-CG 3.42Å; I147-K151 PolarHBondContact O-N 3.14Å; G148-K151 WeakPolarHBondContact O-CB 3.49Å; G148-K151 PolarHBondContact O-N 3.33Å; G148-K151 VanDerWaalsContact O-N 3.15Å; F149-K151 VanDerWaalsContact C-N 3.3Å; F149-K151 PolarHBondContact O-N 3.37Å; K151-K154 PolarHBondContact O-N 3.23Å; K151-L155 PolarHBondContact O-N 3.18Å |
| 152 | Q | 98.2 | Very high | 98.1 | Very high | 111 Ų | 111 | 107.8 Ų | 107.8 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 177.1 | -75.2 | 179.8 | -15.2 | 0 | 0 | 112.2 | G148 F149 K154 L155 I156 | G148-Q152 PolarHBondContact O-N 3.41Å; F149-Q152 PolarHBondContact O-N 2.9Å; Q152-K154 PolarHBondContact O-N 3.49Å; Q152-L155 WeakPolarHBondContact O-CB 3.33Å; Q152-L155 PolarHBondContact O-N 3.43Å; Q152-I156 WeakPolarHBondContact O-CG1 3.29Å; Q152-I156 PolarHBondContact O-N 3.32Å |
| 153 | L | 97.9 | Very high | 98 | Very high | 108 Ų | 108 | 107.1 Ų | 107.1 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.4 | -46.8 | 176 | -72.3 | 172.2 | 0 | 0 | 0 | 111.9 | F149 L155 I156 D157 | F149-L153 WeakPolarHBondContact O-CG 3.47Å; F149-L153 PolarHBondContact O-N 2.94Å; L153-L155 VanDerWaalsContact C-N 3.33Å; L153-L155 PolarHBondContact O-N 3.48Å; L153-I156 WeakPolarHBondContact O-CB 3.34Å; L153-I156 PolarHBondContact O-N 3.41Å; L153-D157 PolarHBondContact O-N 3.05Å; L153-D157 VanDerWaalsContact O-N 3.1Å |
| 154 | K | 98.1 | Very high | 98 | Very high | 147 Ų | 147 | 111.9 Ų | 111.9 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 175.9 | -70.7 | -178 | 178.6 | -172.6 | 0 | 112.6 | K150 K151 Q152 I156 D157 I158 | K150-K154 PolarHBondContact O-N 2.91Å; K151-K154 PolarHBondContact O-N 3.23Å; Q152-K154 PolarHBondContact O-N 3.49Å; K154-I156 VanDerWaalsContact C-N 3.35Å; K154-D157 PolarHBondContact O-N 3.37Å; K154-I158 WeakPolarHBondContact O-CG1 3.41Å; K154-I158 PolarHBondContact O-N 3.28Å |
| 155 | L | 98.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 111.1 Ų | 111.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177 | 178.9 | 61.8 | 0 | 0 | 0 | 111.2 | K151 Q152 L153 D157 I158 L159 | K151-L155 PolarHBondContact O-N 3.18Å; Q152-L155 WeakPolarHBondContact O-CB 3.33Å; Q152-L155 PolarHBondContact O-N 3.43Å; L153-L155 VanDerWaalsContact C-N 3.33Å; L153-L155 PolarHBondContact O-N 3.48Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 2.93Å; L155-I158 PolarHBondContact O-N 3.12Å; L155-L159 HydrophobicContact CD1-CD1 4.17Å; L155-L159 HydrophobicContact CD1-CG 4.11Å; L155-L159 HydrophobicContact CG-CD1 3.92Å; L155-L159 HydrophobicContact CG-CG 4.31Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.49Å |
| 156 | I | 98.1 | Very high | 97.8 | Very high | 80 Ų | 80 | 110.6 Ų | 110.6 | 41% | 0.41 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.7 | -45 | 175.2 | -69.6 | 168 | 0 | 0 | 0 | 110.6 | Q152 L153 K154 L159 K160 | Q152-I156 WeakPolarHBondContact O-CG1 3.29Å; Q152-I156 PolarHBondContact O-N 3.32Å; L153-I156 WeakPolarHBondContact O-CB 3.34Å; L153-I156 PolarHBondContact O-N 3.41Å; K154-I156 VanDerWaalsContact C-N 3.35Å; I156-L159 PolarHBondContact O-N 3.42Å; I156-K160 HydrophobicContact CG2-CD 4.1Å; I156-K160 HydrophobicContact CG2-CG 4.45Å; I156-K160 WeakPolarHBondContact O-CB 3.49Å; I156-K160 WeakPolarHBondContact O-CG 3.49Å; I156-K160 PolarHBondContact O-N 2.92Å |
| 157 | D | 98.1 | Very high | 97.6 | Very high | 101 Ų | 101 | 110.7 Ų | 110.7 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 179.2 | -67.2 | -25.1 | 0 | 0 | 0 | 112.3 | L153 K154 L155 K160 R161 | L153-D157 PolarHBondContact O-N 3.05Å; L153-D157 VanDerWaalsContact O-N 3.1Å; K154-D157 PolarHBondContact O-N 3.37Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 2.93Å; D157-K160 PolarHBondContact O-N 2.89Å; D157-R161 PolarHBondContact O-N 3.07Å; D157-R161 VanDerWaalsContact O-N 3.12Å |
| 158 | I | 98.1 | Very high | 97.5 | Very high | 91 Ų | 91 | 108.5 Ų | 108.5 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 175.9 | -68.1 | 166.8 | 0 | 0 | 0 | 110.4 | K154 L155 K160 R161 Q162 | K154-I158 WeakPolarHBondContact O-CG1 3.41Å; K154-I158 PolarHBondContact O-N 3.28Å; L155-I158 PolarHBondContact O-N 3.12Å; I158-K160 VanDerWaalsContact C-N 3.34Å; I158-K160 PolarHBondContact O-N 3.2Å; I158-R161 WeakPolarHBondContact O-CB 3.5Å; I158-R161 PolarHBondContact O-N 3Å; I158-Q162 HydrophobicContact CG2-CG 4.32Å; I158-Q162 WeakPolarHBondContact O-CG 2.81Å; I158-Q162 PolarHBondContact O-N 3Å |
| 159 | L | 98 | Very high | 97.2 | Very high | 89 Ų | 89 | 109.8 Ų | 109.8 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | -179.7 | -73.7 | 174.2 | 0 | 0 | 0 | 112 | L155 I156 R161 Q162 K163 | L155-L159 HydrophobicContact CD1-CD1 4.17Å; L155-L159 HydrophobicContact CD1-CG 4.11Å; L155-L159 HydrophobicContact CG-CD1 3.92Å; L155-L159 HydrophobicContact CG-CG 4.31Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.49Å; I156-L159 PolarHBondContact O-N 3.42Å; L159-R161 VanDerWaalsContact C-N 3.34Å; L159-R161 PolarHBondContact O-N 3.47Å; L159-Q162 PolarHBondContact O-N 2.96Å; L159-K163 WeakPolarHBondContact O-CB 3.47Å; L159-K163 PolarHBondContact O-N 3.38Å |
| 160 | K | 97.9 | Very high | 97 | Very high | 140 Ų | 140 | 111.4 Ų | 111.4 | 61% | 0.609 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 173.9 | -77.6 | 175.6 | 177.1 | 177.4 | 0 | 111.7 | I156 D157 I158 K163 M164 | I156-K160 HydrophobicContact CG2-CD 4.1Å; I156-K160 HydrophobicContact CG2-CG 4.45Å; I156-K160 WeakPolarHBondContact O-CB 3.49Å; I156-K160 WeakPolarHBondContact O-CG 3.49Å; I156-K160 PolarHBondContact O-N 2.92Å; D157-K160 PolarHBondContact O-N 2.89Å; I158-K160 VanDerWaalsContact C-N 3.34Å; I158-K160 PolarHBondContact O-N 3.2Å; K160-K163 PolarHBondContact O-N 3.49Å; K160-M164 PolarHBondContact O-N 3.09Å; K160-M164 VanDerWaalsContact O-N 3.09Å |
| 161 | R | 97.5 | Very high | 96.7 | Very high | 172 Ų | 172 | 111 Ų | 111 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 177.1 | -171.1 | -176 | -59.5 | -160.3 | -0.5 | 111.9 | D157 I158 L159 K163 M164 H165 | D157-R161 PolarHBondContact O-N 3.07Å; D157-R161 VanDerWaalsContact O-N 3.12Å; I158-R161 WeakPolarHBondContact O-CB 3.5Å; I158-R161 PolarHBondContact O-N 3Å; L159-R161 VanDerWaalsContact C-N 3.34Å; L159-R161 PolarHBondContact O-N 3.47Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-K163 PolarHBondContact O-N 3.26Å; R161-M164 WeakPolarHBondContact O-CB 3.38Å; R161-M164 PolarHBondContact O-N 3.43Å; R161-H165 WeakPolarHBondContact CG-NE2 3.36Å; R161-H165 PolarHBondContact O-CD2 3.24Å; R161-H165 PolarHBondContact O-N 3.38Å |
| 162 | Q | 97.2 | Very high | 96.3 | Very high | 98 Ų | 98 | 109.2 Ų | 109.2 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.7 | -74.4 | 176.6 | -22.5 | 0 | 0 | 111.6 | I158 L159 M164 H165 I166 | I158-Q162 HydrophobicContact CG2-CG 4.32Å; I158-Q162 WeakPolarHBondContact O-CG 2.81Å; I158-Q162 PolarHBondContact O-N 3Å; L159-Q162 PolarHBondContact O-N 2.96Å; Q162-M164 VanDerWaalsContact C-N 3.34Å; Q162-M164 PolarHBondContact O-N 3.48Å; Q162-H165 PolarHBondContact O-N 3.2Å; Q162-I166 VanDerWaalsContact O-CG1 3.31Å; Q162-I166 WeakPolarHBondContact O-CG1 3.39Å; Q162-I166 PolarHBondContact O-N 2.98Å |
| 163 | K | 97.4 | Very high | 96 | Very high | 132 Ų | 132 | 106.3 Ų | 106.3 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.3 | -47.8 | 174.9 | 179.7 | 178.9 | 170.7 | -179.5 | 0 | 111.4 | L159 K160 R161 H165 I166 E167 | L159-K163 WeakPolarHBondContact O-CB 3.47Å; L159-K163 PolarHBondContact O-N 3.38Å; K160-K163 PolarHBondContact O-N 3.49Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-K163 PolarHBondContact O-N 3.26Å; K163-H165 PolarHBondContact O-N 3.44Å; K163-I166 PolarHBondContact O-N 3.39Å; K163-E167 WeakPolarHBondContact CE-OE1 3.49Å; K163-E167 IonicContact NZ-OE1 3.39Å; K163-E167 WeakPolarHBondContact O-CG 3.44Å; K163-E167 PolarHBondContact O-N 3Å |
| 164 | M | 96.4 | Very high | 95.6 | Very high | 131 Ų | 131 | 106.7 Ų | 106.7 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 177.2 | -177.1 | -173.5 | 174.9 | 0 | 0 | 112.3 | K160 R161 Q162 I166 E167 A168 | K160-M164 PolarHBondContact O-N 3.09Å; K160-M164 VanDerWaalsContact O-N 3.09Å; R161-M164 WeakPolarHBondContact O-CB 3.38Å; R161-M164 PolarHBondContact O-N 3.43Å; Q162-M164 VanDerWaalsContact C-N 3.34Å; Q162-M164 PolarHBondContact O-N 3.48Å; M164-I166 PolarHBondContact O-N 3.44Å; M164-E167 PolarHBondContact O-N 2.88Å; M164-A168 WeakPolarHBondContact O-CB 3.4Å; M164-A168 PolarHBondContact O-N 2.88Å |
| 165 | H | 96.6 | Very high | 95.1 | Very high | 121 Ų | 121 | 102.9 Ų | 102.9 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 177 | -71.3 | -50.2 | 0 | 0 | 0 | 112.4 | R161 Q162 K163 A168 A169 | R161-H165 WeakPolarHBondContact CG-NE2 3.36Å; R161-H165 PolarHBondContact O-CD2 3.24Å; R161-H165 PolarHBondContact O-N 3.38Å; Q162-H165 PolarHBondContact O-N 3.2Å; K163-H165 PolarHBondContact O-N 3.44Å; H165-A168 PolarHBondContact O-N 3.37Å; H165-A169 WeakPolarHBondContact O-CB 3.39Å; H165-A169 PolarHBondContact O-N 3.44Å |
| 166 | I | 96.2 | Very high | 94.6 | Very high | 97 Ų | 97 | 104.4 Ų | 104.4 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 177.4 | -68.7 | 167 | 0 | 0 | 0 | 110.8 | Q162 K163 M164 A169 K170 | Q162-I166 VanDerWaalsContact O-CG1 3.31Å; Q162-I166 WeakPolarHBondContact O-CG1 3.39Å; Q162-I166 PolarHBondContact O-N 2.98Å; K163-I166 PolarHBondContact O-N 3.39Å; M164-I166 PolarHBondContact O-N 3.44Å; I166-A169 PolarHBondContact O-N 3.32Å; I166-K170 HydrophobicContact CG2-CD 4.37Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.27Å |
| 167 | E | 95.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 105.9 Ų | 105.9 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.5 | -74.8 | 172.2 | 172.2 | 0 | 0 | 111.5 | K163 M164 K170 M171 | K163-E167 WeakPolarHBondContact CE-OE1 3.49Å; K163-E167 IonicContact NZ-OE1 3.39Å; K163-E167 WeakPolarHBondContact O-CG 3.44Å; K163-E167 PolarHBondContact O-N 3Å; M164-E167 PolarHBondContact O-N 2.88Å; E167-K170 PolarHBondContact O-N 3.45Å; E167-M171 WeakPolarHBondContact O-CG 3.31Å; E167-M171 PolarHBondContact O-N 2.92Å |
| 168 | A | 94.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 105 Ų | 105 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | M164 H165 K170 M171 L172 | M164-A168 WeakPolarHBondContact O-CB 3.4Å; M164-A168 PolarHBondContact O-N 2.88Å; H165-A168 PolarHBondContact O-N 3.37Å; A168-K170 VanDerWaalsContact C-N 3.34Å; A168-K170 PolarHBondContact O-N 2.97Å; A168-M171 PolarHBondContact O-N 2.98Å; A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.27Å |
| 169 | A | 93.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | H165 I166 L172 S173 | H165-A169 WeakPolarHBondContact O-CB 3.39Å; H165-A169 PolarHBondContact O-N 3.44Å; I166-A169 PolarHBondContact O-N 3.32Å; A169-L172 PolarHBondContact O-N 2.95Å; A169-S173 PolarHBondContact O-N 3.43Å |
| 170 | K | 93.4 | Very high | 92.2 | Very high | 141 Ų | 141 | 107.9 Ų | 107.9 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 175 | -75.1 | -179.8 | 177.2 | -173.9 | 0 | 113.1 | I166 E167 A168 S173 F174 | I166-K170 HydrophobicContact CG2-CD 4.37Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.27Å; E167-K170 PolarHBondContact O-N 3.45Å; A168-K170 VanDerWaalsContact C-N 3.34Å; A168-K170 PolarHBondContact O-N 2.97Å; K170-S173 PolarHBondContact O-N 2.96Å; K170-S173 PolarHBondContact O-OG 2.82Å; K170-F174 WeakPolarHBondContact O-CB 3.49Å; K170-F174 PolarHBondContact O-N 3.43Å |
| 171 | M | 91.4 | Very high | 91.6 | Very high | 125 Ų | 125 | 105.9 Ų | 105.9 | 62% | 0.616 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.8 | -37.8 | 176.6 | -70 | -62.9 | -64.9 | 0 | 0 | 111.7 | E167 A168 S175 | E167-M171 WeakPolarHBondContact O-CG 3.31Å; E167-M171 PolarHBondContact O-N 2.92Å; A168-M171 PolarHBondContact O-N 2.98Å; M171-S175 WeakPolarHBondContact O-CB 3.46Å; M171-S175 PolarHBondContact O-N 3Å; M171-S175 PolarHBondContact O-OG 2.92Å |
| 172 | L | 90.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -47.5 | 173.1 | -74 | 171.6 | 0 | 0 | 0 | 111.3 | A168 A169 F174 S175 E176 | A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.27Å; A169-L172 PolarHBondContact O-N 2.95Å; L172-F174 VanDerWaalsContact C-N 3.3Å; L172-F174 PolarHBondContact O-N 3.02Å; L172-S175 CarbonylContact O-C 3.59Å; L172-S175 WeakPolarHBondContact O-CB 3.49Å; L172-S175 PolarHBondContact O-N 3.34Å; L172-E176 WeakPolarHBondContact O-CG 3.38Å; L172-E176 PolarHBondContact O-N 3.49Å |
| 173 | S | 90.5 | Very high | 89.9 | Confident | 50 Ų | 50 | 100.3 Ų | 100.3 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 178.3 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | A169 K170 E176 E177 | A169-S173 PolarHBondContact O-N 3.43Å; K170-S173 PolarHBondContact O-N 2.96Å; K170-S173 PolarHBondContact O-OG 2.82Å; S173-E176 PolarHBondContact O-N 2.93Å; S173-E177 WeakPolarHBondContact O-CB 3.47Å; S173-E177 WeakPolarHBondContact O-CG 3.29Å; S173-E177 PolarHBondContact O-N 3.43Å |
| 174 | F | 89.7 | Confident | 88.8 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 172.9 | -177.6 | -98 | 0 | 0 | 0 | 112 | K170 L172 E177 E178 | K170-F174 WeakPolarHBondContact O-CB 3.49Å; K170-F174 PolarHBondContact O-N 3.43Å; L172-F174 VanDerWaalsContact C-N 3.3Å; L172-F174 PolarHBondContact O-N 3.02Å; F174-E177 PolarHBondContact O-N 2.8Å; F174-E178 HydrophobicContact CD1-CG 4.32Å; F174-E178 HydrophobicContact CE1-CG 3.88Å; F174-E178 HydrophobicContact CE2-CG 4.35Å; F174-E178 HydrophobicContact CZ-CG 3.9Å; F174-E178 WeakPolarHBondContact O-CG 3.31Å; F174-E178 PolarHBondContact O-N 3.05Å |
| 175 | S | 88.1 | Confident | 87.2 | Confident | 67 Ų | 67 | 104.9 Ų | 104.9 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 177.5 | -55 | 0 | 0 | 0 | 0 | 112 | M171 L172 F179 | M171-S175 WeakPolarHBondContact O-CB 3.46Å; M171-S175 PolarHBondContact O-N 3Å; M171-S175 PolarHBondContact O-OG 2.92Å; L172-S175 CarbonylContact O-C 3.59Å; L172-S175 WeakPolarHBondContact O-CB 3.49Å; L172-S175 PolarHBondContact O-N 3.34Å; S175-F179 VanDerWaalsContact O-CB 3.31Å; S175-F179 WeakPolarHBondContact O-CB 3.41Å; S175-F179 PolarHBondContact O-N 3.03Å |
| 176 | E | 88.6 | Confident | 85.4 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 174.7 | -74 | 173.7 | -179.3 | 0 | 0 | 111.4 | L172 S173 F179 M180 | L172-E176 WeakPolarHBondContact O-CG 3.38Å; L172-E176 PolarHBondContact O-N 3.49Å; S173-E176 PolarHBondContact O-N 2.93Å; E176-F179 PolarHBondContact O-N 3.37Å; E176-M180 VanDerWaalsContact O-CG 3.29Å; E176-M180 WeakPolarHBondContact O-CG 3.37Å; E176-M180 PolarHBondContact O-N 3.09Å |
| 177 | E | 86.7 | Confident | 83.4 | Confident | 110 Ų | 110 | 102.4 Ų | 102.4 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 175.7 | -79 | 176.5 | -166.1 | 0 | 0 | 112.2 | S173 F174 M180 K181 | S173-E177 WeakPolarHBondContact O-CB 3.47Å; S173-E177 WeakPolarHBondContact O-CG 3.29Å; S173-E177 PolarHBondContact O-N 3.43Å; F174-E177 PolarHBondContact O-N 2.8Å; E177-M180 PolarHBondContact O-N 3.34Å; E177-K181 WeakPolarHBondContact O-CG 3.39Å; E177-K181 PolarHBondContact O-N 3.04Å |
| 178 | E | 85.4 | Confident | 81.2 | Confident | 82 Ų | 82 | 106.3 Ų | 106.3 | 38% | 0.383 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66 | -38 | 177.7 | -69.8 | -60.7 | 125.7 | 0 | 0 | 112.1 | F174 K181 A182 | F174-E178 HydrophobicContact CD1-CG 4.32Å; F174-E178 HydrophobicContact CE1-CG 3.88Å; F174-E178 HydrophobicContact CE2-CG 4.35Å; F174-E178 HydrophobicContact CZ-CG 3.9Å; F174-E178 WeakPolarHBondContact O-CG 3.31Å; F174-E178 PolarHBondContact O-N 3.05Å; E178-K181 PolarHBondContact O-N 2.74Å; E178-K181 IonicContact OE1-NZ 2.74Å; E178-K181 PolarHBondContact OE1-NZ 3.28Å; E178-A182 PolarHBondContact O-N 3.39Å |
| 179 | F | 84.2 | Confident | 80.5 | Confident | 134 Ų | 134 | 109.1 Ų | 109.1 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63 | -43.2 | 174.3 | -179 | -101 | 0 | 0 | 0 | 112.1 | S175 E176 A182 L183 | S175-F179 VanDerWaalsContact O-CB 3.31Å; S175-F179 WeakPolarHBondContact O-CB 3.41Å; S175-F179 PolarHBondContact O-N 3.03Å; E176-F179 PolarHBondContact O-N 3.37Å; F179-A182 PolarHBondContact O-N 3.06Å; F179-L183 HydrophobicContact CD1-CD1 3.92Å; F179-L183 HydrophobicContact CE1-CD1 3.4Å; F179-L183 HydrophobicContact CE1-CG 4.21Å; F179-L183 HydrophobicContact CZ-CD1 3.91Å; F179-L183 HydrophobicContact CZ-CG 4.34Å; F179-L183 PolarHBondContact O-N 2.94Å; F179-L183 VanDerWaalsContact O-N 3.09Å |
| 180 | M | 85.4 | Confident | 79.8 | Confident | 107 Ų | 107 | 111.9 Ų | 111.9 | 53% | 0.527 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.1 | -43.9 | 176.5 | -71.4 | -68.2 | -74.1 | 0 | 0 | 111.7 | E176 E177 A182 L183 E184 | E176-M180 VanDerWaalsContact O-CG 3.29Å; E176-M180 WeakPolarHBondContact O-CG 3.37Å; E176-M180 PolarHBondContact O-N 3.09Å; E177-M180 PolarHBondContact O-N 3.34Å; M180-A182 VanDerWaalsContact C-N 3.31Å; M180-A182 PolarHBondContact O-N 3.3Å; M180-L183 PolarHBondContact O-N 3.48Å; M180-E184 PolarHBondContact O-N 3.11Å |
| 181 | K | 84.3 | Confident | 79.1 | Confident | 99 Ų | 99 | 110.3 Ų | 110.3 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.6 | -41.3 | 173.9 | -70.9 | 174.3 | -166 | 164.6 | 0 | 112.3 | E177 E178 L183 E184 W185 | E177-K181 WeakPolarHBondContact O-CG 3.39Å; E177-K181 PolarHBondContact O-N 3.04Å; E178-K181 PolarHBondContact O-N 2.74Å; E178-K181 IonicContact OE1-NZ 2.74Å; E178-K181 PolarHBondContact OE1-NZ 3.28Å; K181-L183 VanDerWaalsContact C-N 3.33Å; K181-L183 PolarHBondContact O-N 3.03Å; K181-E184 PolarHBondContact O-N 2.93Å; K181-W185 PolarHBondContact O-N 3.48Å |
| 182 | A | 81.1 | Confident | 78.3 | Confident | 61 Ų | 61 | 109.4 Ų | 109.4 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.3 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E178 F179 M180 G186 | E178-A182 PolarHBondContact O-N 3.39Å; F179-A182 PolarHBondContact O-N 3.06Å; M180-A182 VanDerWaalsContact C-N 3.31Å; M180-A182 PolarHBondContact O-N 3.3Å; A182-G186 PolarHBondContact O-N 3Å |
| 183 | L | 78.4 | Confident | 77.6 | Confident | 92 Ų | 92 | 109.5 Ų | 109.5 | 48% | 0.482 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.3 | -40.6 | 172.5 | -76.9 | 170.9 | 0 | 0 | 0 | 112.2 | F179 M180 K181 W185 G186 S187 | F179-L183 HydrophobicContact CD1-CD1 3.92Å; F179-L183 HydrophobicContact CE1-CD1 3.4Å; F179-L183 HydrophobicContact CE1-CG 4.21Å; F179-L183 HydrophobicContact CZ-CD1 3.91Å; F179-L183 HydrophobicContact CZ-CG 4.34Å; F179-L183 PolarHBondContact O-N 2.94Å; F179-L183 VanDerWaalsContact O-N 3.09Å; M180-L183 PolarHBondContact O-N 3.48Å; K181-L183 VanDerWaalsContact C-N 3.33Å; K181-L183 PolarHBondContact O-N 3.03Å; L183-W185 VanDerWaalsContact C-N 3.29Å; L183-W185 PolarHBondContact O-N 3.45Å; L183-G186 PolarHBondContact O-N 2.98Å; L183-G186 VanDerWaalsContact O-N 3.11Å; L183-S187 PolarHBondContact O-OG 3.45Å |
| 184 | E | 75.4 | Confident | 76.7 | Confident | 131 Ų | 131 | 113.5 Ų | 113.5 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.6 | -33.3 | 176.1 | -72 | 176.8 | 176.8 | 0 | 0 | 112.2 | M180 K181 G186 S187 | M180-E184 PolarHBondContact O-N 3.11Å; K181-E184 PolarHBondContact O-N 2.93Å; E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 3.18Å; E184-S187 WeakPolarHBondContact O-CB 3.43Å; E184-S187 PolarHBondContact O-N 3.19Å |
| 185 | W | 61.8 | Low | 75.8 | Confident | 228 Ų | 228 | 113.2 Ų | 113.2 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.7 | -24.9 | 172 | -80.2 | 3.1 | 0 | 0 | 0 | 114.7 | K181 L183 S187 | K181-W185 PolarHBondContact O-N 3.48Å; L183-W185 VanDerWaalsContact C-N 3.29Å; L183-W185 PolarHBondContact O-N 3.45Å; W185-S187 PolarHBondContact O-N 3.41Å |
| 186 | G | 59 | Low | 74.8 | Confident | 67 Ų | 67 | 116.8 Ų | 116.8 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -1.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A182 L183 E184 | A182-G186 PolarHBondContact O-N 3Å; L183-G186 PolarHBondContact O-N 2.98Å; L183-G186 VanDerWaalsContact O-N 3.11Å; E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 3.18Å |
| 187 | S | 54.8 | Low | 73.7 | Confident | 98 Ų | 98 | 115.8 Ų | 115.8 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 23.2 | -173.8 | -49.1 | 0 | 0 | 0 | 0 | 113.7 | L183 E184 W185 | L183-S187 PolarHBondContact O-OG 3.45Å; E184-S187 WeakPolarHBondContact O-CB 3.43Å; E184-S187 PolarHBondContact O-N 3.19Å; W185-S187 PolarHBondContact O-N 3.41Å |
| 188 | S | 47.7 | Very low | 72.5 | Confident | 181 Ų | 181 | 116.4 Ų | 116.4 | 100% | 1.266 | 64% | 0.639 | S | S | * | * | trans | -103.4 | 0 | 167.4 | -84.8 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 188 of 188 residues in 34.2 ms
(Link to these results)