| 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 | 39.1 | Very low | 63.8 | Low | 238 Ų | 238 | 147.8 Ų | 147.8 | 100% | 1.172 | 70% | 0.695 | S | S | * | * | 0 | 119.1 | 0 | -69.5 | -163.4 | -167.3 | 0 | 0 | 108.1 | Q3 | M1-Q3 PolarHBondContact O-N 3.15Š| |||
| 2 | F | 45.4 | Very low | 65.2 | Low | 203 Ų | 203 | 140.6 Ų | 140.6 | 89% | 0.89 | 68% | 0.679 | S | S | * | * | trans | -75.9 | 116.1 | 175.6 | -78 | -89.4 | 0 | 0 | 0 | 108.9 | V4 | F2-V4 PolarHBondContact O-N 3.43Å; F2-V4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | Q | 51.7 | Low | 66.5 | Low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 66% | 0.664 | S | S | * | * | trans | -71.5 | 104.1 | 173 | -79.9 | 167.9 | -16.8 | 0 | 0 | 108.7 | M1 E5 | M1-Q3 PolarHBondContact O-N 3.15Å; Q3-E5 PolarHBondContact O-N 3.41Å | ||
| 4 | V | 57.7 | Low | 67.9 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | trans | -79 | 100.3 | 173.6 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | F2 | F2-V4 PolarHBondContact O-N 3.43Å; F2-V4 VanDerWaalsContact O-N 3.15Å | ||
| 5 | E | 58.8 | Low | 69.1 | Low | 66 Ų | 66 | 130.2 Ų | 130.2 | 31% | 0.308 | 62% | 0.624 | S | S | . | * | trans | -68.6 | 129.7 | 177.5 | -60.8 | -165.8 | 156 | 0 | 0 | 111.6 | Q3 R13 | Q3-E5 PolarHBondContact O-N 3.41Å; E5-R13 VanDerWaalsContact CD-NH1 3.33Å; E5-R13 IonicContact OE1-CZ 2.79Å; E5-R13 IonicContact OE1-NH1 3.12Å; E5-R13 PolarHBondContact OE1-NH1 3.27Å; E5-R13 IonicContact OE1-NH2 3.29Å; E5-R13 PolarHBondContact OE1-NH2 3.32Å; E5-R13 IonicContact OE2-NH1 3.73Å; E5-R13 PolarHBondContact OE2-NH1 3.28Å | ||
| 6 | L | 70.9 | Confident | 70.1 | Confident | 104 Ų | 104 | 124.6 Ų | 124.6 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | trans | -72.6 | 140.3 | -179.5 | -70.2 | 164.4 | 0 | 0 | 0 | 110.4 | R8 E9 R10 | L6-R8 PolarHBondContact O-N 2.87Å; L6-E9 HydrophobicContact CB-CG 4.19Å; L6-E9 PolarHBondContact N-OE2 3.41Å; L6-E9 WeakPolarHBondContact O-CB 3.43Å; L6-E9 PolarHBondContact O-N 2.99Å; L6-R10 PolarHBondContact O-N 2.63Å | ||
| 7 | P | 73.3 | Confident | 71 | Confident | 98 Ų | 98 | 123.9 Ų | 123.9 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -54.8 | -25.6 | 179.5 | -29.1 | 35.2 | 0 | 0 | 0 | 115.5 | K11 | P7-K11 PolarHBondContact O-N 3.04Å |
| 8 | R | 71 | Confident | 72 | Confident | 222 Ų | 222 | 124.4 Ų | 124.4 | 84% | 0.838 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.5 | -36.2 | 173.9 | -72.4 | -176.1 | 173.5 | -175.9 | -1.7 | 112.5 | L6 A12 | L6-R8 PolarHBondContact O-N 2.87Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.09Å; R8-A12 VanDerWaalsContact O-N 3.09Å |
| 9 | E | 75.3 | Confident | 72.9 | Confident | 91 Ų | 91 | 127.4 Ų | 127.4 | 43% | 0.425 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73 | -35.5 | 179.2 | -62.6 | 175.3 | 163 | 0 | 0 | 111 | L6 A12 R13 | L6-E9 HydrophobicContact CB-CG 4.19Å; L6-E9 PolarHBondContact N-OE2 3.41Å; L6-E9 WeakPolarHBondContact O-CB 3.43Å; L6-E9 PolarHBondContact O-N 2.99Å; E9-A12 PolarHBondContact O-N 3.22Å; E9-R13 WeakPolarHBondContact O-CB 3.33Å; E9-R13 WeakPolarHBondContact O-CG 3.48Å; E9-R13 PolarHBondContact O-N 3.45Å |
| 10 | R | 75.7 | Confident | 73.6 | Confident | 138 Ų | 138 | 130.3 Ų | 130.3 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.3 | -51.3 | 172.1 | -66.3 | -174.7 | -178 | 176.5 | 1.9 | 112.3 | L6 A12 R13 E14 | L6-R10 PolarHBondContact O-N 2.63Å; R10-A12 VanDerWaalsContact C-N 3.3Å; R10-A12 PolarHBondContact O-N 3.35Å; R10-R13 PolarHBondContact O-N 2.89Å; R10-E14 WeakPolarHBondContact O-CG 3.32Å; R10-E14 PolarHBondContact O-N 2.95Å |
| 11 | K | 82.5 | Confident | 74.4 | Confident | 149 Ų | 149 | 128.6 Ų | 128.6 | 65% | 0.648 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.9 | -38.4 | 176 | -73.6 | -175 | 177.5 | -176.4 | 0 | 112.7 | P7 S15 | P7-K11 PolarHBondContact O-N 3.04Å; K11-S15 WeakPolarHBondContact O-CB 3.4Å; K11-S15 PolarHBondContact O-N 2.91Å |
| 12 | A | 81.1 | Confident | 76.8 | Confident | 61 Ų | 61 | 124.4 Ų | 124.4 | 50% | 0.504 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.5 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R8 E9 R10 S15 A16 | R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.09Å; R8-A12 VanDerWaalsContact O-N 3.09Å; E9-A12 PolarHBondContact O-N 3.22Å; R10-A12 VanDerWaalsContact C-N 3.3Å; R10-A12 PolarHBondContact O-N 3.35Å; A12-S15 PolarHBondContact O-N 3.34Å; A12-A16 WeakPolarHBondContact O-CB 3.4Å; A12-A16 PolarHBondContact O-N 2.96Å |
| 13 | R | 82.5 | Confident | 78.9 | Confident | 127 Ų | 127 | 118.8 Ų | 118.8 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 173.9 | -72.3 | -179.2 | -173.1 | 179.6 | 11 | 111.9 | E5 E9 R10 S15 A16 E17 | E5-R13 VanDerWaalsContact CD-NH1 3.33Å; E5-R13 IonicContact OE1-CZ 2.79Å; E5-R13 IonicContact OE1-NH1 3.12Å; E5-R13 PolarHBondContact OE1-NH1 3.27Å; E5-R13 IonicContact OE1-NH2 3.29Å; E5-R13 PolarHBondContact OE1-NH2 3.32Å; E5-R13 IonicContact OE2-NH1 3.73Å; E5-R13 PolarHBondContact OE2-NH1 3.28Å; E9-R13 WeakPolarHBondContact O-CB 3.33Å; E9-R13 WeakPolarHBondContact O-CG 3.48Å; E9-R13 PolarHBondContact O-N 3.45Å; R10-R13 PolarHBondContact O-N 2.89Å; R13-S15 VanDerWaalsContact C-N 3.3Å; R13-S15 PolarHBondContact O-N 2.96Å; R13-A16 CarbonylContact O-C 3.56Å; R13-A16 WeakPolarHBondContact O-CB 3.47Å; R13-A16 PolarHBondContact O-N 3.06Å; R13-E17 WeakPolarHBondContact O-CB 3.49Å; R13-E17 WeakPolarHBondContact O-CG 3.35Å; R13-E17 PolarHBondContact O-N 3.32Å |
| 14 | E | 85.1 | Confident | 80.6 | Confident | 103 Ų | 103 | 112.8 Ų | 112.8 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.1 | -72.5 | 168.7 | -170.3 | 0 | 0 | 112.7 | R10 R18 | R10-E14 WeakPolarHBondContact O-CG 3.32Å; R10-E14 PolarHBondContact O-N 2.95Å; E14-R18 WeakPolarHBondContact O-CB 3.36Å; E14-R18 WeakPolarHBondContact O-CG 3.37Å; E14-R18 PolarHBondContact O-N 2.92Å; E14-R18 PolarHBondContact O-NE 3.12Å |
| 15 | S | 86.6 | Confident | 82 | Confident | 36 Ų | 36 | 112 Ų | 112 | 25% | 0.252 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 174.6 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | K11 A12 R13 R19 | K11-S15 WeakPolarHBondContact O-CB 3.4Å; K11-S15 PolarHBondContact O-N 2.91Å; A12-S15 PolarHBondContact O-N 3.34Å; R13-S15 VanDerWaalsContact C-N 3.3Å; R13-S15 PolarHBondContact O-N 2.96Å; S15-R19 WeakPolarHBondContact O-CG 3.41Å; S15-R19 PolarHBondContact O-N 2.8Å; S15-R19 VanDerWaalsContact O-N 3.12Å |
| 16 | A | 85.1 | Confident | 83.4 | Confident | 41 Ų | 41 | 114.8 Ų | 114.8 | 34% | 0.339 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A12 R13 R19 R20 | A12-A16 WeakPolarHBondContact O-CB 3.4Å; A12-A16 PolarHBondContact O-N 2.96Å; R13-A16 CarbonylContact O-C 3.56Å; R13-A16 WeakPolarHBondContact O-CB 3.47Å; R13-A16 PolarHBondContact O-N 3.06Å; A16-R19 PolarHBondContact O-N 3.45Å; A16-R20 WeakPolarHBondContact O-CG 3.4Å; A16-R20 PolarHBondContact O-N 2.84Å |
| 17 | E | 86 | Confident | 84.2 | Confident | 112 Ų | 112 | 117 Ų | 117 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.2 | -75 | 177 | -178.1 | 0 | 0 | 111.7 | R13 R19 R20 N21 | R13-E17 WeakPolarHBondContact O-CB 3.49Å; R13-E17 WeakPolarHBondContact O-CG 3.35Å; R13-E17 PolarHBondContact O-N 3.32Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.5Å; E17-R20 PolarHBondContact O-N 3.36Å; E17-R20 VanDerWaalsContact O-N 3.16Å; E17-N21 WeakPolarHBondContact O-CB 3.33Å; E17-N21 PolarHBondContact O-N 3.27Å; E17-N21 PolarHBondContact O-OD1 3.16Å |
| 18 | R | 88.4 | Confident | 84.7 | Confident | 133 Ų | 133 | 114.7 Ų | 114.7 | 50% | 0.502 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -54.6 | -46.7 | 172.1 | -80.7 | -178.2 | -75.6 | 143.6 | -8.9 | 112 | E14 N21 Y22 | E14-R18 WeakPolarHBondContact O-CB 3.36Å; E14-R18 WeakPolarHBondContact O-CG 3.37Å; E14-R18 PolarHBondContact O-N 2.92Å; E14-R18 PolarHBondContact O-NE 3.12Å; R18-N21 PolarHBondContact O-N 3.22Å; R18-Y22 HydrophobicContact CB-CD2 4.4Å; R18-Y22 HydrophobicContact CB-CE2 4.22Å; R18-Y22 WeakPolarHBondContact O-CB 3.17Å; R18-Y22 WeakPolarHBondContact O-CD2 3.31Å; R18-Y22 PolarHBondContact O-N 2.88Å |
| 19 | R | 88.3 | Confident | 85.4 | Confident | 182 Ų | 182 | 111 Ų | 111 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 177.1 | -73.7 | 177 | -175.4 | 177.4 | 1.7 | 112.2 | S15 A16 E17 N21 Y22 E23 | S15-R19 WeakPolarHBondContact O-CG 3.41Å; S15-R19 PolarHBondContact O-N 2.8Å; S15-R19 VanDerWaalsContact O-N 3.12Å; A16-R19 PolarHBondContact O-N 3.45Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.5Å; R19-N21 VanDerWaalsContact C-N 3.33Å; R19-N21 PolarHBondContact O-N 2.91Å; R19-Y22 PolarHBondContact O-N 3.35Å; R19-E23 WeakPolarHBondContact O-CB 3.38Å; R19-E23 PolarHBondContact O-N 3.35Å |
| 20 | R | 88.4 | Confident | 85.9 | Confident | 185 Ų | 185 | 109.6 Ų | 109.6 | 70% | 0.698 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 176.4 | -74.1 | 174.3 | -179.3 | -175 | 0.5 | 111.4 | A16 E17 E23 A24 | A16-R20 WeakPolarHBondContact O-CG 3.4Å; A16-R20 PolarHBondContact O-N 2.84Å; E17-R20 PolarHBondContact O-N 3.36Å; E17-R20 VanDerWaalsContact O-N 3.16Å; R20-E23 PolarHBondContact O-N 2.94Å; R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.41Å |
| 21 | N | 88.8 | Confident | 86.5 | Confident | 95 Ų | 95 | 111 Ų | 111 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 178.3 | -65.3 | -7.6 | 0 | 0 | 0 | 111.4 | E17 R18 R19 E23 A24 E25 | E17-N21 WeakPolarHBondContact O-CB 3.33Å; E17-N21 PolarHBondContact O-N 3.27Å; E17-N21 PolarHBondContact O-OD1 3.16Å; R18-N21 PolarHBondContact O-N 3.22Å; R19-N21 VanDerWaalsContact C-N 3.33Å; R19-N21 PolarHBondContact O-N 2.91Å; N21-E23 PolarHBondContact O-N 3.46Å; N21-A24 WeakPolarHBondContact O-CB 2.98Å; N21-A24 PolarHBondContact O-N 3.42Å; N21-E25 WeakPolarHBondContact O-CG 3.49Å; N21-E25 PolarHBondContact O-N 2.94Å |
| 22 | Y | 89.9 | Confident | 86.7 | Confident | 149 Ų | 149 | 107 Ų | 107 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 174.3 | -75.2 | -55.8 | 0 | 0 | 0 | 112.6 | R18 R19 A24 E25 R26 | R18-Y22 HydrophobicContact CB-CD2 4.4Å; R18-Y22 HydrophobicContact CB-CE2 4.22Å; R18-Y22 WeakPolarHBondContact O-CB 3.17Å; R18-Y22 WeakPolarHBondContact O-CD2 3.31Å; R18-Y22 PolarHBondContact O-N 2.88Å; R19-Y22 PolarHBondContact O-N 3.35Å; Y22-A24 VanDerWaalsContact C-N 3.32Å; Y22-E25 PolarHBondContact O-N 3.33Å; Y22-R26 WeakPolarHBondContact O-CB 3.16Å; Y22-R26 PolarHBondContact O-N 2.86Å |
| 23 | E | 89.9 | Confident | 87 | Confident | 85 Ų | 85 | 109.2 Ų | 109.2 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -34.7 | 177.6 | -157.4 | 69.5 | -136.7 | 0 | 0 | 111.1 | R19 R20 N21 R26 R27 | R19-E23 WeakPolarHBondContact O-CB 3.38Å; R19-E23 PolarHBondContact O-N 3.35Å; R20-E23 PolarHBondContact O-N 2.94Å; N21-E23 PolarHBondContact O-N 3.46Å; E23-R26 PolarHBondContact O-N 3.19Å; E23-R26 IonicContact OE1-NH1 3.41Å; E23-R26 PolarHBondContact OE1-NH1 3.45Å; E23-R27 VanDerWaalsContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CB 3.43Å; E23-R27 WeakPolarHBondContact O-CG 3.47Å; E23-R27 PolarHBondContact O-N 3.5Å |
| 24 | A | 87 | Confident | 87.2 | Confident | 61 Ų | 61 | 110.3 Ų | 110.3 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R20 N21 Y22 R26 R27 G28 | R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.41Å; N21-A24 WeakPolarHBondContact O-CB 2.98Å; N21-A24 PolarHBondContact O-N 3.42Å; Y22-A24 VanDerWaalsContact C-N 3.32Å; A24-R26 VanDerWaalsContact C-N 3.3Å; A24-R26 PolarHBondContact O-N 2.84Å; A24-R27 PolarHBondContact O-N 2.99Å; A24-G28 PolarHBondContact O-N 2.93Å |
| 25 | E | 86.9 | Confident | 87.2 | Confident | 113 Ų | 113 | 111.6 Ų | 111.6 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 174.7 | -70.7 | 173 | -173.9 | 0 | 0 | 112.5 | N21 Y22 R29 | N21-E25 WeakPolarHBondContact O-CG 3.49Å; N21-E25 PolarHBondContact O-N 2.94Å; Y22-E25 PolarHBondContact O-N 3.33Å; E25-R29 WeakPolarHBondContact O-CG 2.91Å; E25-R29 PolarHBondContact O-N 3.15Å; E25-R29 PolarHBondContact O-NE 3.37Å |
| 26 | R | 88 | Confident | 87.1 | Confident | 125 Ų | 125 | 117.9 Ų | 117.9 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.8 | -44.4 | 176 | -178 | 175.4 | 176.4 | -87.1 | -6.1 | 111.4 | Y22 E23 A24 G28 R29 I30 | Y22-R26 WeakPolarHBondContact O-CB 3.16Å; Y22-R26 PolarHBondContact O-N 2.86Å; E23-R26 PolarHBondContact O-N 3.19Å; E23-R26 IonicContact OE1-NH1 3.41Å; E23-R26 PolarHBondContact OE1-NH1 3.45Å; A24-R26 VanDerWaalsContact C-N 3.3Å; A24-R26 PolarHBondContact O-N 2.84Å; R26-G28 VanDerWaalsContact C-N 3.32Å; R26-G28 PolarHBondContact O-N 3.43Å; R26-R29 PolarHBondContact O-N 2.97Å; R26-R29 VanDerWaalsContact O-N 3.12Å; R26-I30 HydrophobicContact CG-CD1 3.68Å; R26-I30 HydrophobicContact CG-CG1 4.37Å; R26-I30 WeakPolarHBondContact O-CG1 3.38Å; R26-I30 PolarHBondContact O-N 3.12Å |
| 27 | R | 88 | Confident | 87.1 | Confident | 152 Ų | 152 | 121.5 Ų | 121.5 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.8 | -44.8 | 173.9 | -77.5 | 172.2 | -179.1 | -165.6 | -0.5 | 111 | E23 A24 R29 I30 F31 | E23-R27 VanDerWaalsContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CB 3.43Å; E23-R27 WeakPolarHBondContact O-CG 3.47Å; E23-R27 PolarHBondContact O-N 3.5Å; A24-R27 PolarHBondContact O-N 2.99Å; R27-R29 PolarHBondContact O-N 3.17Å; R27-I30 PolarHBondContact O-N 3.35Å; R27-I30 VanDerWaalsContact O-N 3.15Å; R27-F31 HydrophobicContact CB-CD2 4.17Å; R27-F31 HydrophobicContact CB-CE2 4.39Å; R27-F31 HydrophobicContact CG-CE2 4.25Å; R27-F31 VanDerWaalsContact O-CD2 3.31Å; R27-F31 WeakPolarHBondContact O-CD2 3.5Å; R27-F31 PolarHBondContact O-N 3.2Å |
| 28 | G | 85.3 | Confident | 87.1 | Confident | 49 Ų | 49 | 121.6 Ų | 121.6 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.8 | -32.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A24 R26 N32 | A24-G28 PolarHBondContact O-N 2.93Å; R26-G28 VanDerWaalsContact C-N 3.32Å; R26-G28 PolarHBondContact O-N 3.43Å; G28-N32 WeakPolarHBondContact O-CB 3.41Å |
| 29 | R | 85.4 | Confident | 86.9 | Confident | 143 Ų | 143 | 117.5 Ų | 117.5 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -80.4 | -36.9 | 175.6 | -70.6 | 178.4 | -77.9 | 172.4 | -6.2 | 113.5 | E25 R26 R27 | E25-R29 WeakPolarHBondContact O-CG 2.91Å; E25-R29 PolarHBondContact O-N 3.15Å; E25-R29 PolarHBondContact O-NE 3.37Å; R26-R29 PolarHBondContact O-N 2.97Å; R26-R29 VanDerWaalsContact O-N 3.12Å; R27-R29 PolarHBondContact O-N 3.17Å |
| 30 | I | 86.1 | Confident | 86.9 | Confident | 63 Ų | 63 | 113.2 Ų | 113.2 | 32% | 0.323 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -77.4 | -33.9 | -177.5 | -67.9 | 173.3 | 0 | 0 | 0 | 112.2 | R26 R27 N32 R36 | R26-I30 HydrophobicContact CG-CD1 3.68Å; R26-I30 HydrophobicContact CG-CG1 4.37Å; R26-I30 WeakPolarHBondContact O-CG1 3.38Å; R26-I30 PolarHBondContact O-N 3.12Å; R27-I30 PolarHBondContact O-N 3.35Å; R27-I30 VanDerWaalsContact O-N 3.15Å; I30-N32 VanDerWaalsContact C-N 3.31Å; I30-R36 WeakPolarHBondContact O-CD 3.31Å |
| 31 | F | 87.1 | Confident | 87 | Confident | 166 Ų | 166 | 109.2 Ų | 109.2 | 73% | 0.728 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -88.4 | 1.6 | -179.9 | -72.3 | -76.9 | 0 | 0 | 0 | 113.5 | R27 | R27-F31 HydrophobicContact CB-CD2 4.17Å; R27-F31 HydrophobicContact CB-CE2 4.39Å; R27-F31 HydrophobicContact CG-CE2 4.25Å; R27-F31 VanDerWaalsContact O-CD2 3.31Å; R27-F31 WeakPolarHBondContact O-CD2 3.5Å; R27-F31 PolarHBondContact O-N 3.2Å |
| 32 | N | 86.7 | Confident | 87.1 | Confident | 65 Ų | 65 | 112.2 Ų | 112.2 | 35% | 0.348 | 55% | 0.548 | S | S | . | . | trans | -103.1 | 104.3 | 174.8 | -169.7 | -35.6 | 0 | 0 | 0 | 110.7 | G28 I30 K34 F35 R36 | G28-N32 WeakPolarHBondContact O-CB 3.41Å; I30-N32 VanDerWaalsContact C-N 3.31Å; N32-K34 PolarHBondContact O-N 3.18Å; N32-K34 PolarHBondContact OD1-N 3.02Å; N32-F35 HydrophobicContact CB-CB 4.4Å; N32-F35 HydrophobicContact CB-CD2 4.2Å; N32-F35 WeakPolarHBondContact ND2-CD2 3.5Å; N32-F35 PolarHBondContact O-N 3.2Å; N32-R36 PolarHBondContact O-N 3.18Å | ||
| 33 | D | 87.4 | Confident | 87.2 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 58% | 0.578 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.6 | -30.5 | -173.8 | -59.8 | -16.6 | 0 | 0 | 0 | 113.4 | R36 T37 | D33-R36 PolarHBondContact O-N 3.46Å; D33-R36 IonicContact OD1-NH1 2.63Å; D33-T37 PolarHBondContact O-N 3.25Å; D33-T37 VanDerWaalsContact O-N 3.1Å; D33-T37 PolarHBondContact O-OG1 2.78Å |
| 34 | K | 87.5 | Confident | 87.4 | Confident | 151 Ų | 151 | 110.1 Ų | 110.1 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.8 | -42.9 | 179.2 | -168.3 | 173.4 | -177 | 177.6 | 0 | 112.2 | N32 R36 T37 I38 | N32-K34 PolarHBondContact O-N 3.18Å; N32-K34 PolarHBondContact OD1-N 3.02Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.45Å; K34-T37 PolarHBondContact O-N 3.02Å; K34-I38 HydrophobicContact CG-CD1 4.23Å; K34-I38 HydrophobicContact CG-CG1 4.21Å; K34-I38 VanDerWaalsContact O-CG1 3.28Å; K34-I38 WeakPolarHBondContact O-CG1 3.24Å; K34-I38 PolarHBondContact O-N 3.37Å |
| 35 | F | 85.1 | Confident | 87.8 | Confident | 130 Ų | 130 | 111.1 Ų | 111.1 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.7 | -31.2 | 174.5 | -86.2 | -84 | 0 | 0 | 0 | 112 | N32 G39 | N32-F35 HydrophobicContact CB-CB 4.4Å; N32-F35 HydrophobicContact CB-CD2 4.2Å; N32-F35 WeakPolarHBondContact ND2-CD2 3.5Å; N32-F35 PolarHBondContact O-N 3.2Å; F35-G39 VanDerWaalsContact O-CA 3.24Å; F35-G39 WeakPolarHBondContact O-CA 3.28Å; F35-G39 PolarHBondContact O-N 3.1Å |
| 36 | R | 83.1 | Confident | 88.2 | Confident | 168 Ų | 168 | 110.5 Ų | 110.5 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.7 | -35.4 | 174.9 | -78.6 | 175.8 | 54.3 | -155.6 | 7.8 | 113.9 | I30 N32 D33 K34 | I30-R36 WeakPolarHBondContact O-CD 3.31Å; N32-R36 PolarHBondContact O-N 3.18Å; D33-R36 PolarHBondContact O-N 3.46Å; D33-R36 IonicContact OD1-NH1 2.63Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.45Å |
| 37 | T | 85.9 | Confident | 88.5 | Confident | 116 Ų | 116 | 110.1 Ų | 110.1 | 71% | 0.712 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -86 | -39.2 | -175.4 | -47.8 | 0 | 0 | 0 | 0 | 111.8 | D33 K34 | D33-T37 PolarHBondContact O-N 3.25Å; D33-T37 VanDerWaalsContact O-N 3.1Å; D33-T37 PolarHBondContact O-OG1 2.78Å; K34-T37 PolarHBondContact O-N 3.02Å |
| 38 | I | 85.8 | Confident | 88.8 | Confident | 115 Ų | 115 | 108.6 Ų | 108.6 | 59% | 0.59 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -143.5 | 33.3 | -171.6 | 55.9 | 168.4 | 0 | 0 | 0 | 113.7 | K34 V40 | K34-I38 HydrophobicContact CG-CD1 4.23Å; K34-I38 HydrophobicContact CG-CG1 4.21Å; K34-I38 VanDerWaalsContact O-CG1 3.28Å; K34-I38 WeakPolarHBondContact O-CG1 3.24Å; K34-I38 PolarHBondContact O-N 3.37Å; I38-V40 PolarHBondContact O-N 3.07Å |
| 39 | G | 83.9 | Confident | 89.4 | Confident | 47 Ų | 47 | 110.3 Ų | 110.3 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | trans | -64.9 | 106.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F35 | F35-G39 VanDerWaalsContact O-CA 3.24Å; F35-G39 WeakPolarHBondContact O-CA 3.28Å; F35-G39 PolarHBondContact O-N 3.1Å | ||
| 40 | V | 88.2 | Confident | 89.9 | Confident | 91 Ų | 91 | 107.1 Ų | 107.1 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | trans | -130.7 | 131.4 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | I38 K42 L45 | I38-V40 PolarHBondContact O-N 3.07Å; V40-K42 PolarHBondContact O-N 3.28Å; V40-L45 HydrophobicContact CG1-CD1 3.31Å; V40-L45 HydrophobicContact CG1-CG 4.35Å | ||
| 41 | D | 90.5 | Very high | 90.3 | Very high | 102 Ų | 102 | 108.5 Ų | 108.5 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | trans | -80.9 | 95.4 | 172.3 | -171.3 | -16.2 | 0 | 0 | 0 | 109.6 | E43 A44 L45 | D41-E43 VanDerWaalsContact C-N 3.35Å; D41-E43 PolarHBondContact OD1-N 3.22Å; D41-A44 HydrophobicContact CB-CB 3.99Å; D41-A44 VanDerWaalsContact CG-CB 3.43Å; D41-A44 PolarHBondContact OD1-N 3.06Å; D41-A44 VanDerWaalsContact OD1-N 3.07Å; D41-A44 WeakPolarHBondContact OD2-CB 3.46Å; D41-L45 WeakPolarHBondContact O-CG 3.36Å; D41-L45 PolarHBondContact O-N 3.02Å | ||
| 42 | K | 91 | Very high | 90.8 | Very high | 157 Ų | 157 | 107 Ų | 107 | 68% | 0.683 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | -177.7 | -64.7 | -176.7 | 179.2 | -177.6 | 0 | 111.6 | V40 A44 L45 D46 | V40-K42 PolarHBondContact O-N 3.28Å; K42-A44 PolarHBondContact O-N 3.31Å; K42-L45 PolarHBondContact O-N 3.5Å; K42-D46 WeakPolarHBondContact O-CB 3.47Å; K42-D46 VanDerWaalsContact O-CG 3.26Å; K42-D46 PolarHBondContact O-N 3.47Å |
| 43 | E | 92.9 | Very high | 91.3 | Very high | 155 Ų | 155 | 109 Ų | 109 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | -178.2 | -62.9 | 179 | -173.5 | 0 | 0 | 110.5 | D41 D46 L47 | D41-E43 VanDerWaalsContact C-N 3.35Å; D41-E43 PolarHBondContact OD1-N 3.22Å; E43-D46 PolarHBondContact O-N 3.46Å; E43-L47 VanDerWaalsContact O-CG 3.28Å; E43-L47 WeakPolarHBondContact O-CG 3.38Å; E43-L47 PolarHBondContact O-N 2.64Å |
| 44 | A | 94.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 112.6 Ų | 112.6 | 30% | 0.298 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D41 K42 L47 Q48 | D41-A44 HydrophobicContact CB-CB 3.99Å; D41-A44 VanDerWaalsContact CG-CB 3.43Å; D41-A44 PolarHBondContact OD1-N 3.06Å; D41-A44 VanDerWaalsContact OD1-N 3.07Å; D41-A44 WeakPolarHBondContact OD2-CB 3.46Å; K42-A44 PolarHBondContact O-N 3.31Å; A44-L47 PolarHBondContact O-N 3.15Å; A44-Q48 WeakPolarHBondContact O-CG 3.43Å; A44-Q48 PolarHBondContact O-N 3.18Å |
| 45 | L | 94.4 | Very high | 92 | Very high | 82 Ų | 82 | 112.8 Ų | 112.8 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.3 | -40.9 | 177.3 | -72.6 | 179.7 | 0 | 0 | 0 | 112.4 | V40 D41 K42 L47 Q48 V49 | V40-L45 HydrophobicContact CG1-CD1 3.31Å; V40-L45 HydrophobicContact CG1-CG 4.35Å; D41-L45 WeakPolarHBondContact O-CG 3.36Å; D41-L45 PolarHBondContact O-N 3.02Å; K42-L45 PolarHBondContact O-N 3.5Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 2.91Å; L45-Q48 WeakPolarHBondContact O-CB 3.5Å; L45-Q48 PolarHBondContact O-N 3.48Å; L45-Q48 VanDerWaalsContact O-N 3.15Å; L45-V49 WeakPolarHBondContact O-CG2 3.28Å; L45-V49 PolarHBondContact O-N 3.44Å |
| 46 | D | 95.1 | Very high | 92.6 | Very high | 100 Ų | 100 | 112.8 Ų | 112.8 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -41.4 | 176.2 | -71.5 | -23.8 | 0 | 0 | 0 | 110.6 | K42 E43 Q48 V49 I50 | K42-D46 WeakPolarHBondContact O-CB 3.47Å; K42-D46 VanDerWaalsContact O-CG 3.26Å; K42-D46 PolarHBondContact O-N 3.47Å; E43-D46 PolarHBondContact O-N 3.46Å; D46-Q48 PolarHBondContact O-N 3.05Å; D46-V49 PolarHBondContact O-N 2.89Å; D46-I50 WeakPolarHBondContact O-CD1 3.43Å; D46-I50 VanDerWaalsContact O-CG1 3.25Å; D46-I50 WeakPolarHBondContact O-CG1 3.39Å; D46-I50 PolarHBondContact O-N 3.42Å |
| 47 | L | 95.1 | Very high | 93.2 | Very high | 117 Ų | 117 | 107.1 Ų | 107.1 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 172.4 | -71 | 172.7 | 0 | 0 | 0 | 112.4 | E43 A44 L45 V49 I50 E51 | E43-L47 VanDerWaalsContact O-CG 3.28Å; E43-L47 WeakPolarHBondContact O-CG 3.38Å; E43-L47 PolarHBondContact O-N 2.64Å; A44-L47 PolarHBondContact O-N 3.15Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 2.91Å; L47-V49 PolarHBondContact O-N 2.88Å; L47-I50 PolarHBondContact O-N 3.25Å; L47-E51 WeakPolarHBondContact O-CB 3.38Å; L47-E51 PolarHBondContact O-N 3.44Å |
| 48 | Q | 95.1 | Very high | 93.6 | Very high | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -38.5 | 176.2 | -73.8 | 177.1 | 11.4 | 0 | 0 | 112.6 | A44 L45 D46 E51 K52 | A44-Q48 WeakPolarHBondContact O-CG 3.43Å; A44-Q48 PolarHBondContact O-N 3.18Å; L45-Q48 WeakPolarHBondContact O-CB 3.5Å; L45-Q48 PolarHBondContact O-N 3.48Å; L45-Q48 VanDerWaalsContact O-N 3.15Å; D46-Q48 PolarHBondContact O-N 3.05Å; Q48-E51 PolarHBondContact O-N 3.43Å; Q48-K52 WeakPolarHBondContact O-CB 3.49Å; Q48-K52 PolarHBondContact O-N 2.92Å |
| 49 | V | 96.8 | Very high | 94.1 | Very high | 84 Ų | 84 | 103.1 Ų | 103.1 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | L45 D46 L47 E51 K52 L53 | L45-V49 WeakPolarHBondContact O-CG2 3.28Å; L45-V49 PolarHBondContact O-N 3.44Å; D46-V49 PolarHBondContact O-N 2.89Å; L47-V49 PolarHBondContact O-N 2.88Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.35Å; V49-K52 PolarHBondContact O-N 3.31Å; V49-L53 HydrophobicContact CG1-CD1 4.09Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 3.23Å |
| 50 | I | 95.7 | Very high | 94.7 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 40% | 0.395 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59 | -45 | 175.8 | -68.3 | 164.1 | 0 | 0 | 0 | 110.4 | D46 L47 L53 R54 | D46-I50 WeakPolarHBondContact O-CD1 3.43Å; D46-I50 VanDerWaalsContact O-CG1 3.25Å; D46-I50 WeakPolarHBondContact O-CG1 3.39Å; D46-I50 PolarHBondContact O-N 3.42Å; L47-I50 PolarHBondContact O-N 3.25Å; I50-L53 PolarHBondContact O-N 2.88Å; I50-R54 WeakPolarHBondContact O-CG 3.4Å; I50-R54 PolarHBondContact O-N 3.43Å |
| 51 | E | 95.8 | Very high | 95 | Very high | 92 Ų | 92 | 107.6 Ų | 107.6 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.8 | -167 | -174.3 | 176.1 | 0 | 0 | 111.8 | L47 Q48 V49 L53 R54 R55 | L47-E51 WeakPolarHBondContact O-CB 3.38Å; L47-E51 PolarHBondContact O-N 3.44Å; Q48-E51 PolarHBondContact O-N 3.43Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.35Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 3.49Å; E51-R54 WeakPolarHBondContact O-CB 3.25Å; E51-R54 PolarHBondContact O-N 2.91Å; E51-R55 WeakPolarHBondContact O-CG 3.41Å; E51-R55 PolarHBondContact O-N 3.28Å; E51-R55 IonicContact OE1-CZ 3.21Å; E51-R55 IonicContact OE1-NE 2.88Å; E51-R55 PolarHBondContact OE1-NE 2.96Å; E51-R55 IonicContact OE1-NH2 3.22Å; E51-R55 PolarHBondContact OE1-NH2 2.89Å; E51-R55 IonicContact OE2-NH2 3.04Å |
| 52 | K | 96.7 | Very high | 95.3 | Very high | 135 Ų | 135 | 109 Ų | 109 | 59% | 0.587 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 177 | -171.7 | 176.2 | -176.5 | 175.9 | 0 | 112 | Q48 V49 R55 K56 | Q48-K52 WeakPolarHBondContact O-CB 3.49Å; Q48-K52 PolarHBondContact O-N 2.92Å; V49-K52 PolarHBondContact O-N 3.31Å; K52-R55 PolarHBondContact O-N 3.33Å; K52-K56 WeakPolarHBondContact O-CG 3.42Å; K52-K56 PolarHBondContact O-N 3.33Å |
| 53 | L | 96.9 | Very high | 95.5 | Very high | 105 Ų | 105 | 107.3 Ų | 107.3 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 174.9 | -74 | 171.4 | 0 | 0 | 0 | 111.6 | V49 I50 E51 R55 K56 A57 | V49-L53 HydrophobicContact CG1-CD1 4.09Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 3.23Å; I50-L53 PolarHBondContact O-N 2.88Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 3.49Å; L53-R55 PolarHBondContact O-N 3.49Å; L53-K56 PolarHBondContact O-N 2.92Å; L53-A57 WeakPolarHBondContact O-CB 3.45Å; L53-A57 PolarHBondContact O-N 2.97Å |
| 54 | R | 95.7 | Very high | 95.7 | Very high | 185 Ų | 185 | 103.8 Ų | 103.8 | 70% | 0.698 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.9 | -44.9 | 174.2 | -74.7 | 176.6 | -179.9 | 173.7 | 1.4 | 111.9 | I50 E51 A57 A58 | I50-R54 WeakPolarHBondContact O-CG 3.4Å; I50-R54 PolarHBondContact O-N 3.43Å; E51-R54 WeakPolarHBondContact O-CB 3.25Å; E51-R54 PolarHBondContact O-N 2.91Å; R54-A57 PolarHBondContact O-N 2.98Å; R54-A58 WeakPolarHBondContact O-CB 3.37Å; R54-A58 PolarHBondContact O-N 3.31Å |
| 55 | R | 95.2 | Very high | 95.8 | Very high | 154 Ų | 154 | 104.5 Ų | 104.5 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 176.2 | -70.4 | 177.9 | -172.8 | -169.6 | 2.5 | 111.7 | E51 K52 L53 A58 L59 | E51-R55 WeakPolarHBondContact O-CG 3.41Å; E51-R55 PolarHBondContact O-N 3.28Å; E51-R55 IonicContact OE1-CZ 3.21Å; E51-R55 IonicContact OE1-NE 2.88Å; E51-R55 PolarHBondContact OE1-NE 2.96Å; E51-R55 IonicContact OE1-NH2 3.22Å; E51-R55 PolarHBondContact OE1-NH2 2.89Å; E51-R55 IonicContact OE2-NH2 3.04Å; K52-R55 PolarHBondContact O-N 3.33Å; L53-R55 PolarHBondContact O-N 3.49Å; R55-A58 PolarHBondContact O-N 3.46Å; R55-L59 WeakPolarHBondContact O-CG 3.42Å; R55-L59 PolarHBondContact O-N 3.41Å |
| 56 | K | 96.2 | Very high | 95.9 | Very high | 130 Ų | 130 | 106.2 Ų | 106.2 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 175.7 | -77.5 | -176.9 | 174.7 | -170 | 0 | 112.5 | K52 L53 L59 K60 | K52-K56 WeakPolarHBondContact O-CG 3.42Å; K52-K56 PolarHBondContact O-N 3.33Å; L53-K56 PolarHBondContact O-N 2.92Å; K56-L59 PolarHBondContact O-N 3.05Å; K56-K60 WeakPolarHBondContact O-CB 2.97Å; K56-K60 PolarHBondContact O-N 3.32Å |
| 57 | A | 95.5 | Very high | 96 | Very high | 50 Ų | 50 | 105.2 Ų | 105.2 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L53 R54 K60 N61 | L53-A57 WeakPolarHBondContact O-CB 3.45Å; L53-A57 PolarHBondContact O-N 2.97Å; R54-A57 PolarHBondContact O-N 2.98Å; A57-K60 PolarHBondContact O-N 3.07Å; A57-N61 WeakPolarHBondContact O-CB 3.47Å; A57-N61 PolarHBondContact O-N 2.92Å; A57-N61 PolarHBondContact O-ND2 3.4Å; A57-N61 PolarHBondContact O-OD1 2.88Å |
| 58 | A | 95.3 | Very high | 96 | Very high | 48 Ų | 48 | 101.7 Ų | 101.7 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R54 R55 N61 Q62 | R54-A58 WeakPolarHBondContact O-CB 3.37Å; R54-A58 PolarHBondContact O-N 3.31Å; R55-A58 PolarHBondContact O-N 3.46Å; A58-N61 PolarHBondContact O-N 3.34Å; A58-Q62 WeakPolarHBondContact O-CG 3.46Å; A58-Q62 PolarHBondContact O-N 3.1Å |
| 59 | L | 95.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.4 | -72.9 | 172.1 | 0 | 0 | 0 | 111.7 | R55 K56 N61 Q62 E63 | R55-L59 WeakPolarHBondContact O-CG 3.42Å; R55-L59 PolarHBondContact O-N 3.41Å; K56-L59 PolarHBondContact O-N 3.05Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.14Å; L59-Q62 WeakPolarHBondContact O-CB 3.43Å; L59-Q62 PolarHBondContact O-N 3.05Å; L59-Q62 VanDerWaalsContact O-N 3.1Å; L59-E63 WeakPolarHBondContact O-CG 3.36Å; L59-E63 PolarHBondContact O-N 2.9Å |
| 60 | K | 96.8 | Very high | 96.1 | Very high | 125 Ų | 125 | 98 Ų | 98 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.3 | -171 | -179.9 | 177.1 | -175.9 | 0 | 111.8 | K56 A57 Q62 E63 D64 | K56-K60 WeakPolarHBondContact O-CB 2.97Å; K56-K60 PolarHBondContact O-N 3.32Å; A57-K60 PolarHBondContact O-N 3.07Å; K60-Q62 VanDerWaalsContact C-N 3.3Å; K60-Q62 PolarHBondContact O-N 3.48Å; K60-E63 PolarHBondContact O-N 2.82Å; K60-D64 WeakPolarHBondContact O-CB 3.4Å; K60-D64 VanDerWaalsContact O-CG 3.25Å; K60-D64 PolarHBondContact O-N 3.37Å |
| 61 | N | 96 | Very high | 96.2 | Very high | 108 Ų | 108 | 101.6 Ų | 101.6 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -36.6 | 176.2 | -69.5 | -11.5 | 0 | 0 | 0 | 112.2 | A57 A58 L59 A65 | A57-N61 WeakPolarHBondContact O-CB 3.47Å; A57-N61 PolarHBondContact O-N 2.92Å; A57-N61 PolarHBondContact O-ND2 3.4Å; A57-N61 PolarHBondContact O-OD1 2.88Å; A58-N61 PolarHBondContact O-N 3.34Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.14Å; N61-A65 WeakPolarHBondContact O-CB 3.44Å; N61-A65 PolarHBondContact O-N 2.93Å |
| 62 | Q | 95.1 | Very high | 96.2 | Very high | 131 Ų | 131 | 103.5 Ų | 103.5 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.3 | -43.9 | 174.7 | -72.2 | 175.9 | 0.9 | 0 | 0 | 111.7 | A58 L59 K60 A65 H66 | A58-Q62 WeakPolarHBondContact O-CG 3.46Å; A58-Q62 PolarHBondContact O-N 3.1Å; L59-Q62 WeakPolarHBondContact O-CB 3.43Å; L59-Q62 PolarHBondContact O-N 3.05Å; L59-Q62 VanDerWaalsContact O-N 3.1Å; K60-Q62 VanDerWaalsContact C-N 3.3Å; K60-Q62 PolarHBondContact O-N 3.48Å; Q62-A65 PolarHBondContact O-N 3.36Å; Q62-H66 WeakPolarHBondContact O-CB 3.47Å; Q62-H66 PolarHBondContact O-N 3.28Å |
| 63 | E | 96.1 | Very high | 96.2 | Very high | 122 Ų | 122 | 105 Ų | 105 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -44.5 | 174.8 | -71.5 | 174.3 | 177 | 0 | 0 | 111.3 | L59 K60 A65 H66 N67 | L59-E63 WeakPolarHBondContact O-CG 3.36Å; L59-E63 PolarHBondContact O-N 2.9Å; K60-E63 PolarHBondContact O-N 2.82Å; E63-A65 VanDerWaalsContact C-N 3.35Å; E63-A65 PolarHBondContact O-N 3.38Å; E63-H66 PolarHBondContact O-N 3.32Å; E63-N67 VanDerWaalsContact O-CB 3.29Å; E63-N67 WeakPolarHBondContact O-CB 3.28Å; E63-N67 PolarHBondContact O-N 3.31Å; E63-N67 PolarHBondContact O-ND2 2.83Å; E63-N67 VanDerWaalsContact O-ND2 3.13Å |
| 64 | D | 96 | Very high | 96.2 | Very high | 80 Ų | 80 | 104.6 Ų | 104.6 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 178.1 | -73.6 | -26.8 | 0 | 0 | 0 | 111.6 | K60 N67 A68 | K60-D64 WeakPolarHBondContact O-CB 3.4Å; K60-D64 VanDerWaalsContact O-CG 3.25Å; K60-D64 PolarHBondContact O-N 3.37Å; D64-N67 PolarHBondContact O-N 2.86Å; D64-A68 WeakPolarHBondContact O-CB 3.42Å; D64-A68 PolarHBondContact O-N 3.38Å |
| 65 | A | 96.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 105 Ų | 105 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N61 Q62 E63 N67 A68 D69 | N61-A65 WeakPolarHBondContact O-CB 3.44Å; N61-A65 PolarHBondContact O-N 2.93Å; Q62-A65 PolarHBondContact O-N 3.36Å; E63-A65 VanDerWaalsContact C-N 3.35Å; E63-A65 PolarHBondContact O-N 3.38Å; A65-N67 VanDerWaalsContact C-N 3.33Å; A65-N67 PolarHBondContact O-N 3.41Å; A65-A68 WeakPolarHBondContact O-CB 3.47Å; A65-A68 PolarHBondContact O-N 2.94Å; A65-A68 VanDerWaalsContact O-N 3.11Å; A65-D69 PolarHBondContact O-N 3.43Å |
| 66 | H | 96.3 | Very high | 96.3 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 177.1 | -174 | 67.1 | 0 | 0 | 0 | 111.9 | Q62 E63 A68 D69 V70 | Q62-H66 WeakPolarHBondContact O-CB 3.47Å; Q62-H66 PolarHBondContact O-N 3.28Å; E63-H66 PolarHBondContact O-N 3.32Å; H66-A68 VanDerWaalsContact C-N 3.28Å; H66-A68 PolarHBondContact O-N 3.15Å; H66-D69 PolarHBondContact O-N 3.21Å; H66-V70 WeakPolarHBondContact O-CG2 3.15Å; H66-V70 PolarHBondContact O-N 3.26Å |
| 67 | N | 97.2 | Very high | 96.4 | Very high | 79 Ų | 79 | 96.2 Ų | 96.2 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 175.8 | -73.9 | -29.7 | 0 | 0 | 0 | 112.1 | E63 D64 A65 K71 | E63-N67 VanDerWaalsContact O-CB 3.29Å; E63-N67 WeakPolarHBondContact O-CB 3.28Å; E63-N67 PolarHBondContact O-N 3.31Å; E63-N67 PolarHBondContact O-ND2 2.83Å; E63-N67 VanDerWaalsContact O-ND2 3.13Å; D64-N67 PolarHBondContact O-N 2.86Å; A65-N67 VanDerWaalsContact C-N 3.33Å; A65-N67 PolarHBondContact O-N 3.41Å; N67-K71 VanDerWaalsContact O-CG 3.28Å; N67-K71 WeakPolarHBondContact O-CG 3.23Å; N67-K71 PolarHBondContact O-N 3.21Å; N67-K71 VanDerWaalsContact O-N 3.13Å |
| 68 | A | 96.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 97 Ų | 97 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D64 A65 H66 K71 Q72 | D64-A68 WeakPolarHBondContact O-CB 3.42Å; D64-A68 PolarHBondContact O-N 3.38Å; A65-A68 WeakPolarHBondContact O-CB 3.47Å; A65-A68 PolarHBondContact O-N 2.94Å; A65-A68 VanDerWaalsContact O-N 3.11Å; H66-A68 VanDerWaalsContact C-N 3.28Å; H66-A68 PolarHBondContact O-N 3.15Å; A68-K71 WeakPolarHBondContact O-CB 3.36Å; A68-K71 PolarHBondContact O-N 3.39Å; A68-Q72 WeakPolarHBondContact O-CG 3.46Å; A68-Q72 PolarHBondContact O-N 3.31Å; A68-Q72 VanDerWaalsContact O-N 3.11Å |
| 69 | D | 96.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 98.9 Ų | 98.9 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 177 | -68.5 | -17.1 | 0 | 0 | 0 | 111.6 | A65 H66 K71 Q72 Y73 | A65-D69 PolarHBondContact O-N 3.43Å; H66-D69 PolarHBondContact O-N 3.21Å; D69-K71 VanDerWaalsContact C-N 3.26Å; D69-K71 PolarHBondContact O-N 2.95Å; D69-Q72 WeakPolarHBondContact O-CA 3.38Å; D69-Q72 WeakPolarHBondContact O-CB 3.37Å; D69-Q72 PolarHBondContact O-N 3.04Å; D69-Y73 HydrophobicContact CB-CD2 4.42Å; D69-Y73 HydrophobicContact CB-CE2 4.11Å; D69-Y73 WeakPolarHBondContact O-CD2 3.47Å; D69-Y73 PolarHBondContact O-N 3.48Å |
| 70 | V | 96.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 99 Ų | 99 | 32% | 0.321 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 176 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | H66 Q72 Y73 N74 | H66-V70 WeakPolarHBondContact O-CG2 3.15Å; H66-V70 PolarHBondContact O-N 3.26Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 3.11Å; V70-Y73 PolarHBondContact O-N 2.96Å; V70-N74 WeakPolarHBondContact O-CB 3.1Å; V70-N74 PolarHBondContact O-N 3.14Å; V70-N74 PolarHBondContact O-ND2 3.49Å |
| 71 | K | 97 | Very high | 96.8 | Very high | 153 Ų | 153 | 98 Ų | 98 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -38.4 | 175.3 | -73.5 | 169.7 | -175.8 | 174.9 | 0 | 112.1 | N67 A68 D69 R75 | N67-K71 VanDerWaalsContact O-CG 3.28Å; N67-K71 WeakPolarHBondContact O-CG 3.23Å; N67-K71 PolarHBondContact O-N 3.21Å; N67-K71 VanDerWaalsContact O-N 3.13Å; A68-K71 WeakPolarHBondContact O-CB 3.36Å; A68-K71 PolarHBondContact O-N 3.39Å; D69-K71 VanDerWaalsContact C-N 3.26Å; D69-K71 PolarHBondContact O-N 2.95Å; K71-R75 WeakPolarHBondContact O-CB 3.48Å; K71-R75 PolarHBondContact O-N 3.37Å; K71-R75 VanDerWaalsContact O-N 3.08Å |
| 72 | Q | 95.7 | Very high | 96.9 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.2 | -46.5 | 176 | -65.4 | -171.5 | 19.4 | 0 | 0 | 111.5 | A68 D69 V70 R75 A76 | A68-Q72 WeakPolarHBondContact O-CG 3.46Å; A68-Q72 PolarHBondContact O-N 3.31Å; A68-Q72 VanDerWaalsContact O-N 3.11Å; D69-Q72 WeakPolarHBondContact O-CA 3.38Å; D69-Q72 WeakPolarHBondContact O-CB 3.37Å; D69-Q72 PolarHBondContact O-N 3.04Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 3.11Å; Q72-R75 PolarHBondContact O-N 2.98Å; Q72-A76 PolarHBondContact O-N 2.92Å |
| 73 | Y | 96.6 | Very high | 97 | Very high | 167 Ų | 167 | 103.3 Ų | 103.3 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 177.7 | -69.4 | -57.9 | 0 | 0 | 0 | 112.2 | D69 V70 R75 A76 A77 | D69-Y73 HydrophobicContact CB-CD2 4.42Å; D69-Y73 HydrophobicContact CB-CE2 4.11Å; D69-Y73 WeakPolarHBondContact O-CD2 3.47Å; D69-Y73 PolarHBondContact O-N 3.48Å; V70-Y73 PolarHBondContact O-N 2.96Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 3.48Å; Y73-A76 PolarHBondContact O-N 3.13Å; Y73-A76 VanDerWaalsContact O-N 3.14Å; Y73-A77 WeakPolarHBondContact O-CB 3.29Å; Y73-A77 PolarHBondContact O-N 2.85Å |
| 74 | N | 97.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 103.6 Ų | 103.6 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.5 | -73.3 | -18.6 | 0 | 0 | 0 | 111.6 | V70 A77 C78 | V70-N74 WeakPolarHBondContact O-CB 3.1Å; V70-N74 PolarHBondContact O-N 3.14Å; V70-N74 PolarHBondContact O-ND2 3.49Å; N74-A77 PolarHBondContact O-N 2.99Å; N74-C78 WeakPolarHBondContact O-CB 3.41Å; N74-C78 PolarHBondContact O-N 3.13Å; N74-C78 PolarHBondContact O-SG 3.35Å; N74-C78 VanDerWaalsContact O-SG 3.32Å |
| 75 | R | 97.3 | Very high | 97.2 | Very high | 193 Ų | 193 | 103.8 Ų | 103.8 | 73% | 0.728 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 175.5 | -173.9 | 177.4 | -179.3 | 179.2 | 0.1 | 111.6 | K71 Q72 Y73 L79 | K71-R75 WeakPolarHBondContact O-CB 3.48Å; K71-R75 PolarHBondContact O-N 3.37Å; K71-R75 VanDerWaalsContact O-N 3.08Å; Q72-R75 PolarHBondContact O-N 2.98Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 3.48Å; R75-L79 WeakPolarHBondContact O-CG 3.35Å; R75-L79 PolarHBondContact O-N 3.37Å; R75-L79 VanDerWaalsContact O-N 3.16Å |
| 76 | A | 96.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 103.5 Ų | 103.5 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q72 Y73 L79 L80 | Q72-A76 PolarHBondContact O-N 2.92Å; Y73-A76 PolarHBondContact O-N 3.13Å; Y73-A76 VanDerWaalsContact O-N 3.14Å; A76-L79 PolarHBondContact O-N 2.89Å; A76-L80 WeakPolarHBondContact O-CG 3.28Å; A76-L80 PolarHBondContact O-N 3.45Å |
| 77 | A | 97.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 100.6 Ų | 100.6 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y73 N74 L79 L80 Q81 | Y73-A77 WeakPolarHBondContact O-CB 3.29Å; Y73-A77 PolarHBondContact O-N 2.85Å; N74-A77 PolarHBondContact O-N 2.99Å; A77-L79 VanDerWaalsContact C-N 3.29Å; A77-L79 PolarHBondContact O-N 3.11Å; A77-L80 PolarHBondContact O-N 3.29Å; A77-Q81 WeakPolarHBondContact O-CB 3.45Å; A77-Q81 PolarHBondContact O-N 3.26Å |
| 78 | C | 97.8 | Very high | 97.3 | Very high | 66 Ų | 66 | 101.2 Ų | 101.2 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -38.5 | 176 | -74.4 | 0 | 0 | 0 | 0 | 112.8 | N74 R82 | N74-C78 WeakPolarHBondContact O-CB 3.41Å; N74-C78 PolarHBondContact O-N 3.13Å; N74-C78 PolarHBondContact O-SG 3.35Å; N74-C78 VanDerWaalsContact O-SG 3.32Å; C78-R82 VanDerWaalsContact O-CG 3.31Å; C78-R82 WeakPolarHBondContact O-CG 3.43Å; C78-R82 PolarHBondContact O-N 3.17Å; C78-R82 VanDerWaalsContact O-N 3.11Å |
| 79 | L | 97.9 | Very high | 97.4 | Very high | 88 Ų | 88 | 106.5 Ų | 106.5 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 177.3 | -72 | 172.2 | 0 | 0 | 0 | 112 | R75 A76 A77 R83 | R75-L79 WeakPolarHBondContact O-CG 3.35Å; R75-L79 PolarHBondContact O-N 3.37Å; R75-L79 VanDerWaalsContact O-N 3.16Å; A76-L79 PolarHBondContact O-N 2.89Å; A77-L79 VanDerWaalsContact C-N 3.29Å; A77-L79 PolarHBondContact O-N 3.11Å; L79-R83 WeakPolarHBondContact O-CG 3.39Å; L79-R83 PolarHBondContact O-N 3.08Å; L79-R83 VanDerWaalsContact O-N 3.14Å |
| 80 | L | 97.9 | Very high | 97.4 | Very high | 100 Ų | 100 | 106.4 Ų | 106.4 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.6 | -72 | 170.8 | 0 | 0 | 0 | 111.4 | A76 A77 R82 R83 Q84 | A76-L80 WeakPolarHBondContact O-CG 3.28Å; A76-L80 PolarHBondContact O-N 3.45Å; A77-L80 PolarHBondContact O-N 3.29Å; L80-R82 PolarHBondContact O-N 3.05Å; L80-R83 WeakPolarHBondContact O-CB 3.46Å; L80-R83 PolarHBondContact O-N 3.49Å; L80-Q84 PolarHBondContact O-N 2.89Å |
| 81 | Q | 98 | Very high | 97.5 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 176.7 | -176.2 | -178.4 | -12.2 | 0 | 0 | 111.4 | A77 R83 Q84 E85 | A77-Q81 WeakPolarHBondContact O-CB 3.45Å; A77-Q81 PolarHBondContact O-N 3.26Å; Q81-R83 VanDerWaalsContact C-N 3.26Å; Q81-R83 PolarHBondContact O-N 2.66Å; Q81-Q84 WeakPolarHBondContact O-CB 3.48Å; Q81-Q84 PolarHBondContact O-N 3.19Å; Q81-Q84 VanDerWaalsContact O-N 3.13Å; Q81-E85 HydrophobicContact CG-CG 4.42Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.35Å; Q81-E85 PolarHBondContact NE2-OE1 3.16Å; Q81-E85 WeakPolarHBondContact O-CG 3.4Å; Q81-E85 PolarHBondContact O-N 2.99Å |
| 82 | R | 98 | Very high | 97.5 | Very high | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -35.9 | 177.4 | -75.1 | 175.7 | -179.5 | -174.3 | 0.6 | 113 | C78 L80 A86 | C78-R82 VanDerWaalsContact O-CG 3.31Å; C78-R82 WeakPolarHBondContact O-CG 3.43Å; C78-R82 PolarHBondContact O-N 3.17Å; C78-R82 VanDerWaalsContact O-N 3.11Å; L80-R82 PolarHBondContact O-N 3.05Å; R82-A86 WeakPolarHBondContact O-CB 3.07Å; R82-A86 PolarHBondContact O-N 3.26Å |
| 83 | R | 97.7 | Very high | 97.6 | Very high | 181 Ų | 181 | 103.8 Ų | 103.8 | 68% | 0.683 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.5 | -43.8 | 175.7 | -74.8 | 176.9 | 179.2 | 178.8 | 0.2 | 111.3 | L79 L80 Q81 A86 A87 | L79-R83 WeakPolarHBondContact O-CG 3.39Å; L79-R83 PolarHBondContact O-N 3.08Å; L79-R83 VanDerWaalsContact O-N 3.14Å; L80-R83 WeakPolarHBondContact O-CB 3.46Å; L80-R83 PolarHBondContact O-N 3.49Å; Q81-R83 VanDerWaalsContact C-N 3.26Å; Q81-R83 PolarHBondContact O-N 2.66Å; R83-A86 PolarHBondContact O-N 3.32Å; R83-A87 WeakPolarHBondContact O-CB 3.36Å; R83-A87 PolarHBondContact O-N 3.08Å |
| 84 | Q | 97.4 | Very high | 97.7 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.4 | -51.2 | 174.9 | -72.9 | 175.6 | -12.9 | 0 | 0 | 110.7 | L80 Q81 A86 A87 D88 | L80-Q84 PolarHBondContact O-N 2.89Å; Q81-Q84 WeakPolarHBondContact O-CB 3.48Å; Q81-Q84 PolarHBondContact O-N 3.19Å; Q81-Q84 VanDerWaalsContact O-N 3.13Å; Q84-A86 VanDerWaalsContact C-N 3.26Å; Q84-A86 PolarHBondContact O-N 3.31Å; Q84-A87 CarbonylContact O-C 3.59Å; Q84-A87 WeakPolarHBondContact O-CB 3.5Å; Q84-A87 PolarHBondContact O-N 3.41Å; Q84-D88 WeakPolarHBondContact O-CB 3.5Å; Q84-D88 VanDerWaalsContact O-CG 3.29Å; Q84-D88 PolarHBondContact O-N 3.21Å |
| 85 | E | 97.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 99.4 Ų | 99.4 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -34.3 | 178.2 | -70.5 | 171.2 | -176.9 | 0 | 0 | 113 | Q81 R89 | Q81-E85 HydrophobicContact CG-CG 4.42Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.35Å; Q81-E85 PolarHBondContact NE2-OE1 3.16Å; Q81-E85 WeakPolarHBondContact O-CG 3.4Å; Q81-E85 PolarHBondContact O-N 2.99Å; E85-R89 WeakPolarHBondContact O-CB 3.41Å; E85-R89 VanDerWaalsContact O-CG 3.22Å; E85-R89 WeakPolarHBondContact O-CG 3.36Å; E85-R89 PolarHBondContact O-N 3.39Å; E85-R89 PolarHBondContact O-NE 2.97Å; E85-R89 VanDerWaalsContact O-NE 3.12Å |
| 86 | A | 97.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 92.2 Ų | 92.2 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.7 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | R82 R83 Q84 R89 S90 | R82-A86 WeakPolarHBondContact O-CB 3.07Å; R82-A86 PolarHBondContact O-N 3.26Å; R83-A86 PolarHBondContact O-N 3.32Å; Q84-A86 VanDerWaalsContact C-N 3.26Å; Q84-A86 PolarHBondContact O-N 3.31Å; A86-R89 PolarHBondContact O-N 3.18Å; A86-S90 WeakPolarHBondContact O-CB 3.34Å; A86-S90 PolarHBondContact O-N 2.98Å |
| 87 | A | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 95 Ų | 95 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R83 Q84 R89 S90 A91 | R83-A87 WeakPolarHBondContact O-CB 3.36Å; R83-A87 PolarHBondContact O-N 3.08Å; Q84-A87 CarbonylContact O-C 3.59Å; Q84-A87 WeakPolarHBondContact O-CB 3.5Å; Q84-A87 PolarHBondContact O-N 3.41Å; A87-R89 PolarHBondContact O-N 2.81Å; A87-S90 PolarHBondContact O-N 2.87Å; A87-A91 WeakPolarHBondContact O-CB 3.45Å; A87-A91 PolarHBondContact O-N 2.92Å |
| 88 | D | 97.6 | Very high | 97.5 | Very high | 91 Ų | 91 | 97.6 Ų | 97.6 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.5 | -69.1 | -24.8 | 0 | 0 | 0 | 110.8 | Q84 S90 A91 H92 | Q84-D88 WeakPolarHBondContact O-CB 3.5Å; Q84-D88 VanDerWaalsContact O-CG 3.29Å; Q84-D88 PolarHBondContact O-N 3.21Å; D88-S90 VanDerWaalsContact C-N 3.34Å; D88-S90 PolarHBondContact O-N 3.45Å; D88-A91 PolarHBondContact O-N 3.5Å; D88-H92 WeakPolarHBondContact O-CB 3.38Å; D88-H92 PolarHBondContact O-CD2 2.97Å; D88-H92 PolarHBondContact O-N 3.42Å |
| 89 | R | 97.9 | Very high | 97.3 | Very high | 154 Ų | 154 | 101.3 Ų | 101.3 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.4 | -45.2 | 174.4 | -79.5 | -177.7 | -70.8 | 162.7 | -5.7 | 112.1 | E85 A86 A87 H92 Q93 | E85-R89 WeakPolarHBondContact O-CB 3.41Å; E85-R89 VanDerWaalsContact O-CG 3.22Å; E85-R89 WeakPolarHBondContact O-CG 3.36Å; E85-R89 PolarHBondContact O-N 3.39Å; E85-R89 PolarHBondContact O-NE 2.97Å; E85-R89 VanDerWaalsContact O-NE 3.12Å; A86-R89 PolarHBondContact O-N 3.18Å; A87-R89 PolarHBondContact O-N 2.81Å; R89-H92 PolarHBondContact O-N 3.15Å; R89-Q93 VanDerWaalsContact O-CG 3.31Å; R89-Q93 WeakPolarHBondContact O-CG 3.43Å; R89-Q93 PolarHBondContact O-N 3.02Å |
| 90 | S | 97.7 | Very high | 97 | Very high | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.1 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | A86 A87 D88 H92 Q93 A94 | A86-S90 WeakPolarHBondContact O-CB 3.34Å; A86-S90 PolarHBondContact O-N 2.98Å; A87-S90 PolarHBondContact O-N 2.87Å; D88-S90 VanDerWaalsContact C-N 3.34Å; D88-S90 PolarHBondContact O-N 3.45Å; S90-H92 PolarHBondContact O-N 2.91Å; S90-Q93 PolarHBondContact O-N 3.48Å; S90-A94 WeakPolarHBondContact O-CB 3.48Å; S90-A94 PolarHBondContact O-N 3.16Å |
| 91 | A | 97.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 105.8 Ų | 105.8 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A87 D88 A94 R95 | A87-A91 WeakPolarHBondContact O-CB 3.45Å; A87-A91 PolarHBondContact O-N 2.92Å; D88-A91 PolarHBondContact O-N 3.5Å; A91-A94 PolarHBondContact O-N 2.78Å; A91-R95 WeakPolarHBondContact O-CG 3.4Å; A91-R95 PolarHBondContact O-N 3.07Å; A91-R95 PolarHBondContact O-NE 3.25Å |
| 92 | H | 97.8 | Very high | 96.5 | Very high | 114 Ų | 114 | 104.9 Ų | 104.9 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 173 | -81.1 | -66.5 | 0 | 0 | 0 | 112.1 | D88 R89 S90 R95 A96 | D88-H92 WeakPolarHBondContact O-CB 3.38Å; D88-H92 PolarHBondContact O-CD2 2.97Å; D88-H92 PolarHBondContact O-N 3.42Å; R89-H92 PolarHBondContact O-N 3.15Å; S90-H92 PolarHBondContact O-N 2.91Å; H92-R95 PolarHBondContact CE1-NH2 2.97Å; H92-R95 PolarHBondContact ND1-NH2 3.13Å; H92-R95 VanDerWaalsContact ND1-NH2 3.17Å; H92-R95 PolarHBondContact NE2-NH2 3.27Å; H92-R95 PolarHBondContact O-N 2.87Å; H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 3.18Å |
| 93 | Q | 97.8 | Very high | 96.1 | Very high | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -45.4 | 175.4 | -73.2 | 172.8 | -5.3 | 0 | 0 | 111.4 | R89 S90 R95 A96 L97 | R89-Q93 VanDerWaalsContact O-CG 3.31Å; R89-Q93 WeakPolarHBondContact O-CG 3.43Å; R89-Q93 PolarHBondContact O-N 3.02Å; S90-Q93 PolarHBondContact O-N 3.48Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 3.04Å; Q93-A96 PolarHBondContact O-N 3.14Å; Q93-L97 WeakPolarHBondContact O-CB 3.49Å; Q93-L97 VanDerWaalsContact O-CG 3.29Å; Q93-L97 WeakPolarHBondContact O-CG 3.4Å; Q93-L97 PolarHBondContact O-N 3.17Å |
| 94 | A | 97.6 | Very high | 95.7 | Very high | 55 Ų | 55 | 96.1 Ų | 96.1 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S90 A91 L97 F98 | S90-A94 WeakPolarHBondContact O-CB 3.48Å; S90-A94 PolarHBondContact O-N 3.16Å; A91-A94 PolarHBondContact O-N 2.78Å; A94-L97 PolarHBondContact O-N 3.06Å; A94-F98 WeakPolarHBondContact O-CB 3.4Å; A94-F98 PolarHBondContact O-N 3.06Å |
| 95 | R | 96.6 | Very high | 95.3 | Very high | 115 Ų | 115 | 93.5 Ų | 93.5 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 173.9 | -77.9 | -177.6 | -71.2 | -139 | 0.6 | 112.3 | A91 H92 Q93 L97 F98 W99 | A91-R95 WeakPolarHBondContact O-CG 3.4Å; A91-R95 PolarHBondContact O-N 3.07Å; A91-R95 PolarHBondContact O-NE 3.25Å; H92-R95 PolarHBondContact CE1-NH2 2.97Å; H92-R95 PolarHBondContact ND1-NH2 3.13Å; H92-R95 VanDerWaalsContact ND1-NH2 3.17Å; H92-R95 PolarHBondContact NE2-NH2 3.27Å; H92-R95 PolarHBondContact O-N 2.87Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 3.04Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.22Å; R95-F98 WeakPolarHBondContact O-CB 3.31Å; R95-F98 PolarHBondContact O-N 2.8Å; R95-W99 VanDerWaalsContact O-CG 3.27Å; R95-W99 PolarHBondContact O-N 3.11Å |
| 96 | A | 96.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 96.7 Ų | 96.7 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H92 Q93 F98 W99 H100 | H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 3.18Å; Q93-A96 PolarHBondContact O-N 3.14Å; A96-F98 VanDerWaalsContact C-N 3.35Å; A96-W99 PolarHBondContact O-N 2.86Å; A96-H100 PolarHBondContact O-N 2.84Å |
| 97 | L | 96.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 173.8 | -70.8 | 172.9 | 0 | 0 | 0 | 111.3 | Q93 A94 R95 W99 H100 Q101 | Q93-L97 WeakPolarHBondContact O-CB 3.49Å; Q93-L97 VanDerWaalsContact O-CG 3.29Å; Q93-L97 WeakPolarHBondContact O-CG 3.4Å; Q93-L97 PolarHBondContact O-N 3.17Å; A94-L97 PolarHBondContact O-N 3.06Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.22Å; L97-W99 PolarHBondContact O-N 3.49Å; L97-H100 PolarHBondContact O-N 3.47Å; L97-Q101 WeakPolarHBondContact O-CB 3.5Å; L97-Q101 VanDerWaalsContact O-CG 3.29Å; L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 3.21Å |
| 98 | F | 96.1 | Very high | 93.9 | Very high | 109 Ų | 109 | 102.5 Ų | 102.5 | 48% | 0.478 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 177.3 | 178.2 | -94.4 | 0 | 0 | 0 | 112.3 | A94 R95 A96 Q101 N102 | A94-F98 WeakPolarHBondContact O-CB 3.4Å; A94-F98 PolarHBondContact O-N 3.06Å; R95-F98 WeakPolarHBondContact O-CB 3.31Å; R95-F98 PolarHBondContact O-N 2.8Å; A96-F98 VanDerWaalsContact C-N 3.35Å; F98-Q101 PolarHBondContact O-N 3.4Å; F98-N102 WeakPolarHBondContact CD2-ND2 3.42Å; F98-N102 HydrophobicContact CE1-CB 4.48Å; F98-N102 HydrophobicContact CE2-CB 4.3Å; F98-N102 VanDerWaalsContact CE2-ND2 3.32Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.37Å; F98-N102 HydrophobicContact CZ-CB 4.19Å; F98-N102 WeakPolarHBondContact O-CB 3.4Å; F98-N102 PolarHBondContact O-N 3.31Å; F98-N102 PolarHBondContact O-ND2 3.48Å |
| 99 | W | 93.5 | Very high | 93.6 | Very high | 143 Ų | 143 | 110 Ų | 110 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.1 | -65.7 | -20.2 | 0 | 0 | 0 | 111.7 | R95 A96 L97 Q101 Q103 | R95-W99 VanDerWaalsContact O-CG 3.27Å; R95-W99 PolarHBondContact O-N 3.11Å; A96-W99 PolarHBondContact O-N 2.86Å; L97-W99 PolarHBondContact O-N 3.49Å; W99-Q101 VanDerWaalsContact C-N 3.27Å; W99-Q101 PolarHBondContact O-N 2.9Å; W99-Q103 VanDerWaalsContact CD1-CD 3.48Å; W99-Q103 VanDerWaalsContact CD1-OE1 3.23Å; W99-Q103 WeakPolarHBondContact O-CA 3.49Å; W99-Q103 WeakPolarHBondContact O-CB 3.48Å; W99-Q103 PolarHBondContact O-N 2.97Å |
| 100 | H | 92.4 | Very high | 93.3 | Very high | 144 Ų | 144 | 107.7 Ų | 107.7 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.5 | -26.1 | 176.6 | -91.5 | -43.7 | 0 | 0 | 0 | 114.4 | A96 L97 N104 | A96-H100 PolarHBondContact O-N 2.84Å; L97-H100 PolarHBondContact O-N 3.47Å; H100-N104 PolarHBondContact O-ND2 2.9Å; H100-N104 PolarHBondContact O-OD1 3.42Å |
| 101 | Q | 93.2 | Very high | 93 | Very high | 138 Ų | 138 | 106.7 Ų | 106.7 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -85.6 | -40.9 | 178.1 | -73.6 | 173.6 | 2.4 | 0 | 0 | 111.9 | L97 F98 W99 | L97-Q101 WeakPolarHBondContact O-CB 3.5Å; L97-Q101 VanDerWaalsContact O-CG 3.29Å; L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 3.21Å; F98-Q101 PolarHBondContact O-N 3.4Å; W99-Q101 VanDerWaalsContact C-N 3.27Å; W99-Q101 PolarHBondContact O-N 2.9Å |
| 102 | N | 90.8 | Very high | 92.4 | Very high | 85 Ų | 85 | 110 Ų | 110 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -113.6 | -19.8 | -164.7 | -58.3 | -76.5 | 0 | 0 | 0 | 114.4 | F98 S107 | F98-N102 WeakPolarHBondContact CD2-ND2 3.42Å; F98-N102 HydrophobicContact CE1-CB 4.48Å; F98-N102 HydrophobicContact CE2-CB 4.3Å; F98-N102 VanDerWaalsContact CE2-ND2 3.32Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.37Å; F98-N102 HydrophobicContact CZ-CB 4.19Å; F98-N102 WeakPolarHBondContact O-CB 3.4Å; F98-N102 PolarHBondContact O-N 3.31Å; F98-N102 PolarHBondContact O-ND2 3.48Å; N102-S107 PolarHBondContact O-OG 2.67Å |
| 103 | Q | 89.5 | Confident | 91.8 | Very high | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | trans | -113.1 | 27.7 | -174.3 | -60.2 | -174.4 | -1.6 | 0 | 0 | 112.9 | W99 | W99-Q103 VanDerWaalsContact CD1-CD 3.48Å; W99-Q103 VanDerWaalsContact CD1-OE1 3.23Å; W99-Q103 WeakPolarHBondContact O-CA 3.49Å; W99-Q103 WeakPolarHBondContact O-CB 3.48Å; W99-Q103 PolarHBondContact O-N 2.97Å | ||
| 104 | N | 89.1 | Confident | 91.3 | Very high | 56 Ų | 56 | 110.3 Ų | 110.3 | 30% | 0.299 | 54% | 0.535 | S | S | . | . | trans | -64.4 | 146.9 | 175.1 | -67.1 | -28.9 | 0 | 0 | 0 | 110.6 | H100 E106 S107 | H100-N104 PolarHBondContact O-ND2 2.9Å; H100-N104 PolarHBondContact O-OD1 3.42Å; N104-E106 PolarHBondContact O-N 3.17Å; N104-S107 PolarHBondContact N-OG 3.18Å; N104-S107 PolarHBondContact O-N 3.43Å; N104-S107 PolarHBondContact O-OG 3.31Å | ||
| 105 | P | 89.5 | Confident | 90.9 | Very high | 74 Ų | 74 | 108.7 Ų | 108.7 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -55.6 | -38.8 | 175.8 | -25.7 | 35 | 0 | 0 | 0 | 112.2 | S107 R108 F111 | P105-S107 VanDerWaalsContact C-N 3.3Å; P105-S107 PolarHBondContact O-N 2.98Å; P105-R108 VanDerWaalsContact O-CB 3.3Å; P105-R108 WeakPolarHBondContact O-CB 3.33Å; P105-R108 VanDerWaalsContact O-CG 3.29Å; P105-R108 WeakPolarHBondContact O-CG 3.46Å; P105-R108 PolarHBondContact O-N 3.24Å; P105-F111 VanDerWaalsContact C-CD2 3.49Å; P105-F111 HydrophobicContact CB-CD2 4.39Å; P105-F111 HydrophobicContact CB-CE2 4.3Å; P105-F111 WeakPolarHBondContact O-CB 3.45Å; P105-F111 WeakPolarHBondContact O-CD2 3.36Å; P105-F111 WeakPolarHBondContact O-CG 3.47Å |
| 106 | E | 88.1 | Confident | 90.5 | Very high | 150 Ų | 150 | 108.6 Ų | 108.6 | 70% | 0.701 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -64.8 | -29.7 | -179.3 | -62.2 | 174.3 | -175.3 | 0 | 0 | 113.5 | N104 R108 F111 | N104-E106 PolarHBondContact O-N 3.17Å; E106-R108 PolarHBondContact O-N 3Å; E106-F111 HydrophobicContact CB-CE1 4.42Å; E106-F111 HydrophobicContact CB-CZ 4.49Å; E106-F111 HydrophobicContact CG-CE1 4.14Å; E106-F111 HydrophobicContact CG-CE2 4.22Å; E106-F111 HydrophobicContact CG-CZ 3.86Å |
| 107 | S | 87.5 | Confident | 90.2 | Very high | 76 Ų | 76 | 109.7 Ų | 109.7 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -83.9 | 1.8 | 179.6 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | N102 N104 P105 | N102-S107 PolarHBondContact O-OG 2.67Å; N104-S107 PolarHBondContact N-OG 3.18Å; N104-S107 PolarHBondContact O-N 3.43Å; N104-S107 PolarHBondContact O-OG 3.31Å; P105-S107 VanDerWaalsContact C-N 3.3Å; P105-S107 PolarHBondContact O-N 2.98Å |
| 108 | R | 89.4 | Confident | 89.7 | Confident | 150 Ų | 150 | 106 Ų | 106 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -74.4 | 143.9 | 177.4 | -63.6 | 179.9 | -178.2 | -169.2 | 1.8 | 110.8 | P105 E106 E110 F111 | P105-R108 VanDerWaalsContact O-CB 3.3Å; P105-R108 WeakPolarHBondContact O-CB 3.33Å; P105-R108 VanDerWaalsContact O-CG 3.29Å; P105-R108 WeakPolarHBondContact O-CG 3.46Å; P105-R108 PolarHBondContact O-N 3.24Å; E106-R108 PolarHBondContact O-N 3Å; R108-E110 HydrophobicContact CB-CG 4.46Å; R108-E110 PolarHBondContact O-N 3.26Å; R108-F111 HydrophobicContact CB-CB 4.32Å; R108-F111 WeakPolarHBondContact O-CB 3.32Å; R108-F111 PolarHBondContact O-N 2.94Å; R108-F111 VanDerWaalsContact O-N 3.14Å |
| 109 | R | 91.1 | Very high | 88.9 | Confident | 247 Ų | 247 | 108.3 Ų | 108.3 | 93% | 0.932 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.6 | 177.8 | -178.1 | 172.5 | 177.6 | -101 | -1.8 | 113.8 | ||
| 110 | E | 91.3 | Very high | 88.5 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 50% | 0.495 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 15.2 | -176.8 | 62.3 | -162.4 | 178.2 | 0 | 0 | 112.4 | R108 D112 L113 N114 | R108-E110 HydrophobicContact CB-CG 4.46Å; R108-E110 PolarHBondContact O-N 3.26Å; E110-D112 VanDerWaalsContact C-N 3.3Å; E110-D112 VanDerWaalsContact C-OD1 3.3Å; E110-D112 WeakPolarHBondContact CA-OD1 3.41Å; E110-L113 PolarHBondContact O-N 3.41Å; E110-N114 PolarHBondContact O-N 3.4Å; E110-N114 PolarHBondContact O-ND2 3.42Å |
| 111 | F | 90.9 | Very high | 87.9 | Confident | 51 Ų | 51 | 109.2 Ų | 109.2 | 22% | 0.224 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 179.4 | -177.1 | -105.2 | 0 | 0 | 0 | 111.6 | P105 E106 R108 L113 N114 D115 | P105-F111 VanDerWaalsContact C-CD2 3.49Å; P105-F111 HydrophobicContact CB-CD2 4.39Å; P105-F111 HydrophobicContact CB-CE2 4.3Å; P105-F111 WeakPolarHBondContact O-CB 3.45Å; P105-F111 WeakPolarHBondContact O-CD2 3.36Å; P105-F111 WeakPolarHBondContact O-CG 3.47Å; E106-F111 HydrophobicContact CB-CE1 4.42Å; E106-F111 HydrophobicContact CB-CZ 4.49Å; E106-F111 HydrophobicContact CG-CE1 4.14Å; E106-F111 HydrophobicContact CG-CE2 4.22Å; E106-F111 HydrophobicContact CG-CZ 3.86Å; R108-F111 HydrophobicContact CB-CB 4.32Å; R108-F111 WeakPolarHBondContact O-CB 3.32Å; R108-F111 PolarHBondContact O-N 2.94Å; R108-F111 VanDerWaalsContact O-N 3.14Å; F111-L113 PolarHBondContact O-N 2.99Å; F111-N114 CarbonylContact O-C 3.6Å; F111-N114 PolarHBondContact O-N 3.5Å; F111-D115 HydrophobicContact CE1-CB 4.19Å; F111-D115 HydrophobicContact CZ-CB 4.41Å; F111-D115 WeakPolarHBondContact O-CA 3.4Å; F111-D115 WeakPolarHBondContact O-CB 3.45Å; F111-D115 PolarHBondContact O-N 2.83Å |
| 112 | D | 85.3 | Confident | 87.2 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.3 | -39.9 | 173.2 | 60.4 | -24.1 | 0 | 0 | 0 | 113.1 | E110 | E110-D112 VanDerWaalsContact C-N 3.3Å; E110-D112 VanDerWaalsContact C-OD1 3.3Å; E110-D112 WeakPolarHBondContact CA-OD1 3.41Å |
| 113 | L | 86.1 | Confident | 86.3 | Confident | 139 Ų | 139 | 110.5 Ų | 110.5 | 73% | 0.728 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.6 | -30.4 | 176.9 | -62.7 | 174.8 | 0 | 0 | 0 | 113.1 | E110 F111 | E110-L113 PolarHBondContact O-N 3.41Å; F111-L113 PolarHBondContact O-N 2.99Å |
| 114 | N | 87.6 | Confident | 85 | Confident | 112 Ų | 112 | 111.4 Ų | 111.4 | 60% | 0.599 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -105.3 | 10 | -175 | -65 | -61.2 | 0 | 0 | 0 | 113.3 | E110 F111 P116 | E110-N114 PolarHBondContact O-N 3.4Å; E110-N114 PolarHBondContact O-ND2 3.42Å; F111-N114 CarbonylContact O-C 3.6Å; F111-N114 PolarHBondContact O-N 3.5Å; N114-P116 WeakPolarHBondContact O-CD 3.43Å |
| 115 | D | 88.6 | Confident | 83.6 | Confident | 21 Ų | 21 | 116.5 Ų | 116.5 | 11% | 0.112 | 59% | 0.59 | C | S | . | * | trans | -69.6 | 121 | -177.9 | -177 | -7.1 | 0 | 0 | 0 | 108.6 | F111 D117 A118 K121 | F111-D115 HydrophobicContact CE1-CB 4.19Å; F111-D115 HydrophobicContact CZ-CB 4.41Å; F111-D115 WeakPolarHBondContact O-CA 3.4Å; F111-D115 WeakPolarHBondContact O-CB 3.45Å; F111-D115 PolarHBondContact O-N 2.83Å; D115-D117 PolarHBondContact O-N 3.26Å; D115-D117 VanDerWaalsContact O-N 3.13Å; D115-D117 PolarHBondContact OD1-N 3.5Å; D115-A118 HydrophobicContact CB-CB 4.09Å; D115-A118 WeakPolarHBondContact O-CB 3.22Å; D115-A118 PolarHBondContact O-N 3.23Å; D115-K121 IonicContact OD1-NZ 3.32Å; D115-K121 WeakPolarHBondContact OD2-CE 3.47Å; D115-K121 IonicContact OD2-NZ 3.62Å; D115-K121 PolarHBondContact OD2-NZ 3.05Å | ||
| 116 | P | 88.9 | Confident | 82 | Confident | 113 Ų | 113 | 121 Ų | 121 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -25 | 178 | 24.8 | -35.1 | 0 | 0 | 0 | 112.7 | N114 | N114-P116 WeakPolarHBondContact O-CD 3.43Š|
| 117 | D | 87.9 | Confident | 80.7 | Confident | 65 Ų | 65 | 120.1 Ų | 120.1 | 35% | 0.348 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.7 | 10.5 | 177.8 | -69.9 | -42.2 | 0 | 0 | 0 | 113.2 | D115 L119 K120 K121 | D115-D117 PolarHBondContact O-N 3.26Å; D115-D117 VanDerWaalsContact O-N 3.13Å; D115-D117 PolarHBondContact OD1-N 3.5Å; D117-L119 VanDerWaalsContact C-N 3.26Å; D117-L119 PolarHBondContact O-N 2.82Å; D117-K120 HydrophobicContact CB-CD 4.42Å; D117-K120 WeakPolarHBondContact O-CB 3.33Å; D117-K120 PolarHBondContact O-N 3.42Å; D117-K120 WeakPolarHBondContact OD1-CE 3.35Å; D117-K120 IonicContact OD1-NZ 2.97Å; D117-K120 PolarHBondContact OD1-NZ 3.15Å; D117-K121 PolarHBondContact O-N 3.44Å |
| 118 | A | 86 | Confident | 79.6 | Confident | 27 Ų | 27 | 122.5 Ų | 122.5 | 22% | 0.223 | 62% | 0.617 | C | S | . | * | H | α-helix | trans | -49.3 | -46.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D115 K120 K121 T122 | D115-A118 HydrophobicContact CB-CB 4.09Å; D115-A118 WeakPolarHBondContact O-CB 3.22Å; D115-A118 PolarHBondContact O-N 3.23Å; A118-K120 PolarHBondContact O-N 3.17Å; A118-K121 PolarHBondContact O-N 3.04Å; A118-K121 VanDerWaalsContact O-N 3.13Å; A118-T122 PolarHBondContact O-N 3.35Å; A118-T122 PolarHBondContact O-OG1 3.43Å |
| 119 | L | 80.6 | Confident | 78.6 | Confident | 158 Ų | 158 | 120.9 Ų | 120.9 | 83% | 0.827 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.7 | -23.6 | -178.3 | -66.5 | 173.7 | 0 | 0 | 0 | 114 | D117 T122 | D117-L119 VanDerWaalsContact C-N 3.26Å; D117-L119 PolarHBondContact O-N 2.82Å; L119-T122 WeakPolarHBondContact CA-OG1 3.47Å; L119-T122 PolarHBondContact O-OG1 2.95Å; L119-T122 VanDerWaalsContact O-OG1 3.04Å |
| 120 | K | 84 | Confident | 77.6 | Confident | 168 Ų | 168 | 112.1 Ų | 112.1 | 73% | 0.73 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -83.4 | -29.3 | 176.5 | -62.1 | 175.1 | -172.3 | 157.5 | 0 | 111.6 | D117 A118 | D117-K120 HydrophobicContact CB-CD 4.42Å; D117-K120 WeakPolarHBondContact O-CB 3.33Å; D117-K120 PolarHBondContact O-N 3.42Å; D117-K120 WeakPolarHBondContact OD1-CE 3.35Å; D117-K120 IonicContact OD1-NZ 2.97Å; D117-K120 PolarHBondContact OD1-NZ 3.15Å; A118-K120 PolarHBondContact O-N 3.17Å |
| 121 | K | 81.3 | Confident | 76.9 | Confident | 138 Ų | 138 | 112.4 Ų | 112.4 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84 | -26.8 | -179.6 | -66.1 | 175.9 | -177.5 | 173.1 | 0 | 112.3 | D115 D117 A118 E123 | D115-K121 IonicContact OD1-NZ 3.32Å; D115-K121 WeakPolarHBondContact OD2-CE 3.47Å; D115-K121 IonicContact OD2-NZ 3.62Å; D115-K121 PolarHBondContact OD2-NZ 3.05Å; D117-K121 PolarHBondContact O-N 3.44Å; A118-K121 PolarHBondContact O-N 3.04Å; A118-K121 VanDerWaalsContact O-N 3.13Å; K121-E123 PolarHBondContact O-N 2.95Å |
| 122 | T | 77.3 | Confident | 76.3 | Confident | 89 Ų | 89 | 118.9 Ų | 118.9 | 55% | 0.546 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -67 | 105.4 | 171.7 | 46.1 | 0 | 0 | 0 | 0 | 109.7 | A118 L119 S124 | A118-T122 PolarHBondContact O-N 3.35Å; A118-T122 PolarHBondContact O-OG1 3.43Å; L119-T122 WeakPolarHBondContact CA-OG1 3.47Å; L119-T122 PolarHBondContact O-OG1 2.95Å; L119-T122 VanDerWaalsContact O-OG1 3.04Å; T122-S124 PolarHBondContact O-N 3.36Å |
| 123 | E | 71.8 | Confident | 76.1 | Confident | 161 Ų | 161 | 117.5 Ų | 117.5 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | trans | -62.1 | 133.2 | 163 | -65.1 | -172.6 | 169.6 | 0 | 0 | 108.2 | K121 Q125 | K121-E123 PolarHBondContact O-N 2.95Å; E123-Q125 PolarHBondContact O-N 3.01Å | ||
| 124 | S | 63.5 | Low | 75.9 | Confident | 129 Ų | 129 | 117.3 Ų | 117.3 | 90% | 0.902 | 66% | 0.659 | S | S | * | * | trans | -67.4 | 70.8 | 178 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | T122 | T122-S124 PolarHBondContact O-N 3.36Š| ||
| 125 | Q | 59 | Low | 75.7 | Confident | 164 Ų | 164 | 114.3 Ų | 114.3 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | trans | -102.2 | 20.7 | -179.3 | -134.2 | 176.5 | 32 | 0 | 0 | 111.5 | E123 V127 | E123-Q125 PolarHBondContact O-N 3.01Å; Q125-V127 PolarHBondContact O-N 3.12Å | ||
| 126 | M | 54.8 | Low | 75.5 | Confident | 169 Ų | 169 | 119 Ų | 119 | 83% | 0.833 | 68% | 0.675 | S | S | * | * | trans | -95.5 | 68.3 | 168.8 | -66.5 | -164.5 | 75.9 | 0 | 0 | 109.7 | L128 | M126-L128 PolarHBondContact O-N 3.37Š| ||
| 127 | V | 61.3 | Low | 75.5 | Confident | 131 Ų | 131 | 118.6 Ų | 118.6 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | -79.5 | 101.4 | 153.4 | -178.2 | 0 | 0 | 0 | 0 | 104.8 | Q125 | Q125-V127 PolarHBondContact O-N 3.12Š| ||
| 128 | L | 64.6 | Low | 75.6 | Confident | 126 Ų | 126 | 118 Ų | 118 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | trans | -50.5 | 132.4 | 165.9 | -77.2 | 164.2 | 0 | 0 | 0 | 107.4 | M126 G130 | M126-L128 PolarHBondContact O-N 3.37Å; L128-G130 PolarHBondContact O-N 3.02Å | ||
| 129 | P | 68.3 | Low | 75.9 | Confident | 116 Ų | 116 | 118.5 Ų | 118.5 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | trans | -50.2 | 120.5 | 172.3 | -24.7 | 33.3 | 0 | 0 | 0 | 108 | L131 | P129-L131 PolarHBondContact O-N 3.25Š| ||
| 130 | G | 69.9 | Low | 76.5 | Confident | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | trans | -45.7 | 131.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L128 L132 | L128-G130 PolarHBondContact O-N 3.02Å; G130-L132 PolarHBondContact O-N 3.39Å | ||
| 131 | L | 77.7 | Confident | 76.9 | Confident | 111 Ų | 111 | 113 Ų | 113 | 58% | 0.581 | 64% | 0.64 | S | S | * | * | trans | -65.8 | 131.5 | -179.2 | -69.1 | 171.3 | 0 | 0 | 0 | 109.1 | P129 G133 E134 | P129-L131 PolarHBondContact O-N 3.25Å; L131-G133 PolarHBondContact O-N 2.91Å; L131-E134 HydrophobicContact CB-CG 4.1Å; L131-E134 PolarHBondContact O-N 2.9Å | ||
| 132 | L | 78.4 | Confident | 77.6 | Confident | 188 Ų | 188 | 111.8 Ų | 111.8 | 98% | 0.984 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 110.5 | 173.4 | -74.8 | 166.6 | 0 | 0 | 0 | 109 | G130 | G130-L132 PolarHBondContact O-N 3.39Š|
| 133 | G | 80.8 | Confident | 78.5 | Confident | 80 Ų | 80 | 113.2 Ų | 113.2 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.2 | -15.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L131 D135 | L131-G133 PolarHBondContact O-N 2.91Å; G133-D135 PolarHBondContact O-N 3.31Å |
| 134 | E | 81.6 | Confident | 79.6 | Confident | 134 Ų | 134 | 113 Ų | 113 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | trans | -74.2 | 112.4 | 168.9 | -73.1 | -177 | 165.1 | 0 | 0 | 109.5 | L131 P136 | L131-E134 HydrophobicContact CB-CG 4.1Å; L131-E134 PolarHBondContact O-N 2.9Å; E134-P136 VanDerWaalsContact O-CD 3.27Å; E134-P136 WeakPolarHBondContact O-CD 3.42Å | ||
| 135 | D | 84.1 | Confident | 81.1 | Confident | 50 Ų | 50 | 112.1 Ų | 112.1 | 27% | 0.267 | 61% | 0.611 | S | S | . | * | trans | -105.2 | 94.1 | 173.9 | -178.1 | 28.1 | 0 | 0 | 0 | 109.9 | G133 E137 S138 R141 | G133-D135 PolarHBondContact O-N 3.31Å; D135-E137 PolarHBondContact O-N 2.84Å; D135-E137 PolarHBondContact OD1-N 3.07Å; D135-S138 VanDerWaalsContact O-CB 3.31Å; D135-S138 WeakPolarHBondContact O-CB 3.48Å; D135-S138 PolarHBondContact O-N 3.36Å; D135-S138 VanDerWaalsContact O-N 3.11Å; D135-S138 PolarHBondContact O-OG 2.92Å; D135-S138 VanDerWaalsContact OD2-CA 3.22Å; D135-S138 WeakPolarHBondContact OD2-CA 3.39Å; D135-S138 PolarHBondContact OD2-N 3.42Å; D135-S138 VanDerWaalsContact OD2-N 3.17Å; D135-R141 IonicContact OD1-NH2 3.31Å; D135-R141 IonicContact OD2-CZ 3.98Å; D135-R141 IonicContact OD2-NE 2.65Å; D135-R141 PolarHBondContact OD2-NE 3.49Å; D135-R141 IonicContact OD2-NH2 2.64Å; D135-R141 PolarHBondContact OD2-NH2 2.93Å | ||
| 136 | P | 83.6 | Confident | 82.9 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 77% | 0.773 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -24.7 | 175.6 | 25 | -32.9 | 0 | 0 | 0 | 111.6 | E134 S138 | E134-P136 VanDerWaalsContact O-CD 3.27Å; E134-P136 WeakPolarHBondContact O-CD 3.42Å; P136-S138 VanDerWaalsContact C-N 3.31Å; P136-S138 PolarHBondContact O-N 3.05Å |
| 137 | E | 88.1 | Confident | 84.9 | Confident | 104 Ų | 104 | 108.1 Ų | 108.1 | 49% | 0.486 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.7 | 14 | -179.3 | -63.6 | -62.8 | 167.3 | 0 | 0 | 113.4 | D135 G139 I140 R141 | D135-E137 PolarHBondContact O-N 2.84Å; D135-E137 PolarHBondContact OD1-N 3.07Å; E137-G139 PolarHBondContact O-N 2.88Å; E137-I140 PolarHBondContact O-N 3.11Å; E137-I140 WeakPolarHBondContact OE2-CD1 3.35Å; E137-I140 WeakPolarHBondContact OE2-CG1 3.45Å; E137-R141 PolarHBondContact O-N 2.83Å |
| 138 | S | 89.8 | Confident | 86.6 | Confident | 54 Ų | 54 | 106.8 Ų | 106.8 | 38% | 0.378 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -56.2 | -36.3 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | D135 P136 R141 Q142 | D135-S138 VanDerWaalsContact O-CB 3.31Å; D135-S138 WeakPolarHBondContact O-CB 3.48Å; D135-S138 PolarHBondContact O-N 3.36Å; D135-S138 VanDerWaalsContact O-N 3.11Å; D135-S138 PolarHBondContact O-OG 2.92Å; D135-S138 VanDerWaalsContact OD2-CA 3.22Å; D135-S138 WeakPolarHBondContact OD2-CA 3.39Å; D135-S138 PolarHBondContact OD2-N 3.42Å; D135-S138 VanDerWaalsContact OD2-N 3.17Å; P136-S138 VanDerWaalsContact C-N 3.31Å; P136-S138 PolarHBondContact O-N 3.05Å; S138-R141 PolarHBondContact O-N 3.49Å; S138-Q142 WeakPolarHBondContact O-CB 3.35Å; S138-Q142 VanDerWaalsContact O-CG 3.31Å; S138-Q142 WeakPolarHBondContact O-CG 3.34Å; S138-Q142 PolarHBondContact O-N 3.36Å |
| 139 | G | 92.4 | Very high | 88.2 | Confident | 37 Ų | 37 | 105.2 Ų | 105.2 | 38% | 0.381 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.2 | -47.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E137 Q142 Q143 | E137-G139 PolarHBondContact O-N 2.88Å; G139-Q142 PolarHBondContact O-N 3.49Å; G139-Q143 WeakPolarHBondContact O-CG 3.32Å; G139-Q143 PolarHBondContact O-N 3.42Å |
| 140 | I | 94.3 | Very high | 89.6 | Confident | 71 Ų | 71 | 107.8 Ų | 107.8 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.9 | -40.2 | 177.8 | -60.2 | -162.6 | 0 | 0 | 0 | 110.7 | E137 Q143 R144 | E137-I140 PolarHBondContact O-N 3.11Å; E137-I140 WeakPolarHBondContact OE2-CD1 3.35Å; E137-I140 WeakPolarHBondContact OE2-CG1 3.45Å; I140-Q143 PolarHBondContact O-N 3.22Å; I140-R144 PolarHBondContact O-N 3.35Å |
| 141 | R | 92.6 | Very high | 90.9 | Very high | 139 Ų | 139 | 108.9 Ų | 108.9 | 53% | 0.525 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.2 | -47.6 | 175.8 | -172 | -164.8 | -56.2 | -149.2 | -6.9 | 111.5 | D135 E137 S138 R144 Q145 | D135-R141 IonicContact OD1-NH2 3.31Å; D135-R141 IonicContact OD2-CZ 3.98Å; D135-R141 IonicContact OD2-NE 2.65Å; D135-R141 PolarHBondContact OD2-NE 3.49Å; D135-R141 IonicContact OD2-NH2 2.64Å; D135-R141 PolarHBondContact OD2-NH2 2.93Å; E137-R141 PolarHBondContact O-N 2.83Å; S138-R141 PolarHBondContact O-N 3.49Å; R141-R144 PolarHBondContact O-N 2.86Å; R141-Q145 WeakPolarHBondContact O-CG 3.21Å; R141-Q145 PolarHBondContact O-N 3.48Å |
| 142 | Q | 94.9 | Very high | 91.8 | Very high | 113 Ų | 113 | 110.7 Ų | 110.7 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -41.5 | 178.2 | -75.5 | 177.7 | 10.5 | 0 | 0 | 111.9 | S138 G139 Q145 Q146 | S138-Q142 WeakPolarHBondContact O-CB 3.35Å; S138-Q142 VanDerWaalsContact O-CG 3.31Å; S138-Q142 WeakPolarHBondContact O-CG 3.34Å; S138-Q142 PolarHBondContact O-N 3.36Å; G139-Q142 PolarHBondContact O-N 3.49Å; Q142-Q145 PolarHBondContact O-N 3.23Å; Q142-Q146 WeakPolarHBondContact O-CG 3.49Å; Q142-Q146 PolarHBondContact O-N 2.91Å |
| 143 | Q | 96 | Very high | 92.8 | Very high | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.7 | -48.7 | 175.6 | -73.8 | 175.4 | 1 | 0 | 0 | 111.6 | G139 I140 Q145 Q146 E147 | G139-Q143 WeakPolarHBondContact O-CG 3.32Å; G139-Q143 PolarHBondContact O-N 3.42Å; I140-Q143 PolarHBondContact O-N 3.22Å; Q143-Q145 VanDerWaalsContact C-N 3.3Å; Q143-Q145 PolarHBondContact O-N 2.92Å; Q143-Q146 WeakPolarHBondContact O-CB 3.39Å; Q143-Q146 PolarHBondContact O-N 2.93Å; Q143-Q146 VanDerWaalsContact O-N 3.13Å; Q143-E147 WeakPolarHBondContact O-CG 3.37Å; Q143-E147 PolarHBondContact O-N 3.15Å |
| 144 | R | 95.8 | Very high | 93.6 | Very high | 158 Ų | 158 | 106.1 Ų | 106.1 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | 176.5 | -69 | -173.8 | -151.6 | -167.2 | 7.3 | 112.5 | I140 R141 Q146 E147 Q148 | I140-R144 PolarHBondContact O-N 3.35Å; R141-R144 PolarHBondContact O-N 2.86Å; R144-Q146 VanDerWaalsContact C-N 3.34Å; R144-E147 PolarHBondContact O-N 3.29Å; R144-Q148 WeakPolarHBondContact O-CB 3.41Å; R144-Q148 VanDerWaalsContact O-CG 3.27Å; R144-Q148 WeakPolarHBondContact O-CG 3.47Å; R144-Q148 PolarHBondContact O-N 3.18Å |
| 145 | Q | 95.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 105 Ų | 105 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.9 | -74.2 | 175.8 | -10.4 | 0 | 0 | 111.9 | R141 Q142 Q143 L149 | R141-Q145 WeakPolarHBondContact O-CG 3.21Å; R141-Q145 PolarHBondContact O-N 3.48Å; Q142-Q145 PolarHBondContact O-N 3.23Å; Q143-Q145 VanDerWaalsContact C-N 3.3Å; Q143-Q145 PolarHBondContact O-N 2.92Å; Q145-L149 WeakPolarHBondContact O-CB 3.43Å; Q145-L149 PolarHBondContact O-N 2.87Å |
| 146 | Q | 96.4 | Very high | 94.9 | Very high | 133 Ų | 133 | 108.6 Ų | 108.6 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 175.2 | -72 | 177.3 | 6 | 0 | 0 | 112 | Q142 Q143 R144 L149 R150 | Q142-Q146 WeakPolarHBondContact O-CG 3.49Å; Q142-Q146 PolarHBondContact O-N 2.91Å; Q143-Q146 WeakPolarHBondContact O-CB 3.39Å; Q143-Q146 PolarHBondContact O-N 2.93Å; Q143-Q146 VanDerWaalsContact O-N 3.13Å; R144-Q146 VanDerWaalsContact C-N 3.34Å; Q146-L149 PolarHBondContact O-N 3.26Å; Q146-R150 VanDerWaalsContact O-CB 3.3Å; Q146-R150 WeakPolarHBondContact O-CB 3.39Å; Q146-R150 PolarHBondContact O-N 3.03Å |
| 147 | E | 96.8 | Very high | 95.5 | Very high | 115 Ų | 115 | 110.3 Ų | 110.3 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 175.2 | -71.8 | 175.4 | 168.6 | 0 | 0 | 111.4 | Q143 R144 L149 R150 D151 | Q143-E147 WeakPolarHBondContact O-CG 3.37Å; Q143-E147 PolarHBondContact O-N 3.15Å; R144-E147 PolarHBondContact O-N 3.29Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 3.19Å; E147-R150 WeakPolarHBondContact O-CB 3.46Å; E147-R150 PolarHBondContact O-N 3.33Å; E147-D151 PolarHBondContact O-N 3.47Å |
| 148 | Q | 97.2 | Very high | 95.9 | Very high | 103 Ų | 103 | 109.1 Ų | 109.1 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 175.6 | -75 | 176.4 | -10.6 | 0 | 0 | 112 | R144 R150 D151 W152 | R144-Q148 WeakPolarHBondContact O-CB 3.41Å; R144-Q148 VanDerWaalsContact O-CG 3.27Å; R144-Q148 WeakPolarHBondContact O-CG 3.47Å; R144-Q148 PolarHBondContact O-N 3.18Å; Q148-R150 PolarHBondContact O-N 2.86Å; Q148-D151 PolarHBondContact O-N 3.42Å; Q148-W152 VanDerWaalsContact O-CG 3.29Å; Q148-W152 PolarHBondContact O-N 3.46Å |
| 149 | L | 97.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 111.3 Ų | 111.3 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.9 | -176 | 65.9 | 0 | 0 | 0 | 111.5 | Q145 Q146 E147 D151 W152 L153 | Q145-L149 WeakPolarHBondContact O-CB 3.43Å; Q145-L149 PolarHBondContact O-N 2.87Å; Q146-L149 PolarHBondContact O-N 3.26Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 3.19Å; L149-D151 VanDerWaalsContact C-N 3.35Å; L149-D151 PolarHBondContact O-N 3.05Å; L149-W152 PolarHBondContact O-N 3.44Å; L149-L153 HydrophobicContact CG-CD1 4.18Å; L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 3.19Å |
| 150 | R | 97.5 | Very high | 96.5 | Very high | 170 Ų | 170 | 113.7 Ų | 113.7 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 176.2 | 176.4 | -175 | 170.6 | -166.6 | -4 | 110.8 | Q146 E147 Q148 L153 L154 | Q146-R150 VanDerWaalsContact O-CB 3.3Å; Q146-R150 WeakPolarHBondContact O-CB 3.39Å; Q146-R150 PolarHBondContact O-N 3.03Å; E147-R150 WeakPolarHBondContact O-CB 3.46Å; E147-R150 PolarHBondContact O-N 3.33Å; Q148-R150 PolarHBondContact O-N 2.86Å; R150-L153 PolarHBondContact O-N 3.42Å; R150-L154 HydrophobicContact CG-CD1 4.13Å; R150-L154 WeakPolarHBondContact O-CG 3.39Å; R150-L154 PolarHBondContact O-N 3.44Å |
| 151 | D | 97.6 | Very high | 96.6 | Very high | 85 Ų | 85 | 114.2 Ų | 114.2 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | -178.7 | -71.9 | -14.5 | 0 | 0 | 0 | 111.7 | E147 Q148 L149 L153 L154 Q155 | E147-D151 PolarHBondContact O-N 3.47Å; Q148-D151 PolarHBondContact O-N 3.42Å; L149-D151 VanDerWaalsContact C-N 3.35Å; L149-D151 PolarHBondContact O-N 3.05Å; D151-L153 PolarHBondContact O-N 3.21Å; D151-L154 PolarHBondContact O-N 3.33Å; D151-Q155 WeakPolarHBondContact O-CG 3.41Å; D151-Q155 PolarHBondContact O-N 3.32Å |
| 152 | W | 97.8 | Very high | 96.7 | Very high | 149 Ų | 149 | 113.2 Ų | 113.2 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 174 | -69.1 | -18.4 | 0 | 0 | 0 | 112.7 | Q148 L149 L154 Q155 Q156 | Q148-W152 VanDerWaalsContact O-CG 3.29Å; Q148-W152 PolarHBondContact O-N 3.46Å; L149-W152 PolarHBondContact O-N 3.44Å; W152-L154 VanDerWaalsContact C-N 3.31Å; W152-L154 PolarHBondContact O-N 3.13Å; W152-Q155 PolarHBondContact O-N 3.02Å; W152-Q156 WeakPolarHBondContact O-CG 3.29Å; W152-Q156 PolarHBondContact O-N 3.14Å |
| 153 | L | 97.7 | Very high | 96.8 | Very high | 99 Ų | 99 | 113.6 Ų | 113.6 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.3 | -72.1 | 172.7 | 0 | 0 | 0 | 111.8 | L149 R150 D151 R157 | L149-L153 HydrophobicContact CG-CD1 4.18Å; L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 3.19Å; R150-L153 PolarHBondContact O-N 3.42Å; D151-L153 PolarHBondContact O-N 3.21Å; L153-R157 WeakPolarHBondContact O-CB 3.32Å; L153-R157 PolarHBondContact O-N 2.92Å |
| 154 | L | 97.5 | Very high | 96.7 | Very high | 73 Ų | 73 | 115.5 Ų | 115.5 | 38% | 0.382 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 174.8 | -73.6 | 171.9 | 0 | 0 | 0 | 111.6 | R150 D151 W152 R157 N158 | R150-L154 HydrophobicContact CG-CD1 4.13Å; R150-L154 WeakPolarHBondContact O-CG 3.39Å; R150-L154 PolarHBondContact O-N 3.44Å; D151-L154 PolarHBondContact O-N 3.33Å; W152-L154 VanDerWaalsContact C-N 3.31Å; W152-L154 PolarHBondContact O-N 3.13Å; L154-R157 PolarHBondContact O-N 2.94Å; L154-N158 WeakPolarHBondContact O-CB 3.35Å; L154-N158 PolarHBondContact O-N 2.86Å; L154-N158 PolarHBondContact O-ND2 2.93Å |
| 155 | Q | 97.2 | Very high | 96.7 | Very high | 111 Ų | 111 | 112.9 Ų | 112.9 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -51.2 | 175.6 | -73.6 | 173.7 | 2.2 | 0 | 0 | 111.3 | D151 W152 R157 N158 E159 | D151-Q155 WeakPolarHBondContact O-CG 3.41Å; D151-Q155 PolarHBondContact O-N 3.32Å; W152-Q155 PolarHBondContact O-N 3.02Å; Q155-R157 VanDerWaalsContact C-N 3.32Å; Q155-R157 PolarHBondContact O-N 3.34Å; Q155-N158 PolarHBondContact O-N 2.96Å; Q155-N158 VanDerWaalsContact O-N 3.13Å; Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 3.36Å |
| 156 | Q | 96.1 | Very high | 96.7 | Very high | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.9 | -42.6 | 178.3 | -74.5 | -176.9 | -3.5 | 0 | 0 | 112.5 | W152 L160 | W152-Q156 WeakPolarHBondContact O-CG 3.29Å; W152-Q156 PolarHBondContact O-N 3.14Å; Q156-L160 VanDerWaalsContact O-CB 3.27Å; Q156-L160 WeakPolarHBondContact O-CB 3.44Å; Q156-L160 PolarHBondContact O-N 2.71Å |
| 157 | R | 97.1 | Very high | 96.6 | Very high | 154 Ų | 154 | 114 Ų | 114 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -46.9 | 175.8 | 176.5 | -179.5 | 171.9 | 170.4 | -1 | 111.1 | L153 L154 Q155 L160 Q161 | L153-R157 WeakPolarHBondContact O-CB 3.32Å; L153-R157 PolarHBondContact O-N 2.92Å; L154-R157 PolarHBondContact O-N 2.94Å; Q155-R157 VanDerWaalsContact C-N 3.32Å; Q155-R157 PolarHBondContact O-N 3.34Å; R157-L160 PolarHBondContact O-N 2.93Å; R157-Q161 WeakPolarHBondContact O-CB 3.3Å; R157-Q161 WeakPolarHBondContact O-CG 3.38Å; R157-Q161 PolarHBondContact O-N 3.23Å |
| 158 | N | 97.1 | Very high | 96.6 | Very high | 80 Ų | 80 | 115.2 Ų | 115.2 | 43% | 0.428 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | -178.6 | -70.3 | -15 | 0 | 0 | 0 | 111.2 | L154 Q155 L160 Q161 Q162 | L154-N158 WeakPolarHBondContact O-CB 3.35Å; L154-N158 PolarHBondContact O-N 2.86Å; L154-N158 PolarHBondContact O-ND2 2.93Å; Q155-N158 PolarHBondContact O-N 2.96Å; Q155-N158 VanDerWaalsContact O-N 3.13Å; N158-L160 VanDerWaalsContact C-N 3.31Å; N158-L160 PolarHBondContact O-N 2.89Å; N158-Q161 PolarHBondContact O-N 3.34Å; N158-Q162 WeakPolarHBondContact O-CG 3.42Å; N158-Q162 PolarHBondContact O-N 3.26Å |
| 159 | E | 96.4 | Very high | 96.5 | Very high | 100 Ų | 100 | 115 Ų | 115 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 175.3 | -73.6 | -179.8 | -170.4 | 0 | 0 | 112 | Q155 Q162 K163 | Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 3.36Å; E159-Q162 PolarHBondContact O-N 2.96Å; E159-K163 WeakPolarHBondContact O-CB 3.09Å; E159-K163 WeakPolarHBondContact O-CG 3.47Å; E159-K163 PolarHBondContact O-N 3.15Å |
| 160 | L | 97.4 | Very high | 96.3 | Very high | 87 Ų | 87 | 114.7 Ų | 114.7 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 178.1 | -174.1 | 136.8 | 0 | 0 | 0 | 111.7 | Q156 R157 N158 R164 | Q156-L160 VanDerWaalsContact O-CB 3.27Å; Q156-L160 WeakPolarHBondContact O-CB 3.44Å; Q156-L160 PolarHBondContact O-N 2.71Å; R157-L160 PolarHBondContact O-N 2.93Å; N158-L160 VanDerWaalsContact C-N 3.31Å; N158-L160 PolarHBondContact O-N 2.89Å; L160-R164 WeakPolarHBondContact O-CB 3.46Å; L160-R164 VanDerWaalsContact O-CG 3.3Å; L160-R164 WeakPolarHBondContact O-CG 3.33Å; L160-R164 PolarHBondContact O-N 3.06Å |
| 161 | Q | 95.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 108.7 Ų | 108.7 | 38% | 0.379 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 172.1 | -75.2 | -179.2 | -21.9 | 0 | 0 | 111.5 | R157 N158 R164 L165 | R157-Q161 WeakPolarHBondContact O-CB 3.3Å; R157-Q161 WeakPolarHBondContact O-CG 3.38Å; R157-Q161 PolarHBondContact O-N 3.23Å; N158-Q161 PolarHBondContact O-N 3.34Å; Q161-R164 WeakPolarHBondContact O-CB 3.44Å; Q161-R164 PolarHBondContact O-N 3.41Å; Q161-L165 WeakPolarHBondContact O-CG 3.29Å; Q161-L165 PolarHBondContact O-N 3.13Å |
| 162 | Q | 95.9 | Very high | 96.2 | Very high | 118 Ų | 118 | 109.7 Ų | 109.7 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 176.3 | -74.3 | 176.9 | -9.4 | 0 | 0 | 111.7 | N158 E159 R164 L165 Q166 | N158-Q162 WeakPolarHBondContact O-CG 3.42Å; N158-Q162 PolarHBondContact O-N 3.26Å; E159-Q162 PolarHBondContact O-N 2.96Å; Q162-R164 VanDerWaalsContact C-N 3.28Å; Q162-R164 PolarHBondContact O-N 3.36Å; Q162-L165 WeakPolarHBondContact O-CB 3.47Å; Q162-L165 PolarHBondContact O-N 3.34Å; Q162-L165 VanDerWaalsContact O-N 3.08Å; Q162-Q166 WeakPolarHBondContact O-CG 3.29Å; Q162-Q166 PolarHBondContact O-N 3.23Å |
| 163 | K | 95.8 | Very high | 96 | Very high | 122 Ų | 122 | 106.2 Ų | 106.2 | 53% | 0.53 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 174.8 | -75.5 | 174.3 | 179.3 | 168.7 | 0 | 112.2 | E159 K167 | E159-K163 WeakPolarHBondContact O-CB 3.09Å; E159-K163 WeakPolarHBondContact O-CG 3.47Å; E159-K163 PolarHBondContact O-N 3.15Å; K163-K167 WeakPolarHBondContact O-CB 3.34Å; K163-K167 VanDerWaalsContact O-CG 3.31Å; K163-K167 WeakPolarHBondContact O-CG 3.41Å; K163-K167 PolarHBondContact O-N 3.48Å |
| 164 | R | 95.6 | Very high | 95.9 | Very high | 157 Ų | 157 | 105.8 Ų | 105.8 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 174 | -77.2 | 175.2 | 177.1 | 176.4 | 1.1 | 112.1 | L160 Q161 Q162 K168 | L160-R164 WeakPolarHBondContact O-CB 3.46Å; L160-R164 VanDerWaalsContact O-CG 3.3Å; L160-R164 WeakPolarHBondContact O-CG 3.33Å; L160-R164 PolarHBondContact O-N 3.06Å; Q161-R164 WeakPolarHBondContact O-CB 3.44Å; Q161-R164 PolarHBondContact O-N 3.41Å; Q162-R164 VanDerWaalsContact C-N 3.28Å; Q162-R164 PolarHBondContact O-N 3.36Å; R164-K168 WeakPolarHBondContact O-CG 3.37Å; R164-K168 PolarHBondContact O-N 2.94Å; R164-K168 VanDerWaalsContact O-N 3.15Å |
| 165 | L | 95.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.1 | -68.2 | 176.3 | 0 | 0 | 0 | 111.2 | Q161 Q162 K167 K168 I169 | Q161-L165 WeakPolarHBondContact O-CG 3.29Å; Q161-L165 PolarHBondContact O-N 3.13Å; Q162-L165 WeakPolarHBondContact O-CB 3.47Å; Q162-L165 PolarHBondContact O-N 3.34Å; Q162-L165 VanDerWaalsContact O-N 3.08Å; L165-K167 PolarHBondContact O-N 3.11Å; L165-K168 WeakPolarHBondContact O-CB 3.42Å; L165-K168 PolarHBondContact O-N 3.38Å; L165-K168 VanDerWaalsContact O-N 3.11Å; L165-I169 WeakPolarHBondContact O-CG1 3.47Å; L165-I169 PolarHBondContact O-N 2.89Å |
| 166 | Q | 94.8 | Very high | 95.6 | Very high | 113 Ų | 113 | 105.7 Ų | 105.7 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.6 | -52 | 174.4 | -74.4 | 172.8 | -18.5 | 0 | 0 | 111 | Q162 K168 I169 D170 | Q162-Q166 WeakPolarHBondContact O-CG 3.29Å; Q162-Q166 PolarHBondContact O-N 3.23Å; Q166-K168 PolarHBondContact O-N 3.17Å; Q166-K168 VanDerWaalsContact O-N 3.15Å; Q166-I169 WeakPolarHBondContact O-CA 3.36Å; Q166-I169 WeakPolarHBondContact O-CB 3.23Å; Q166-I169 PolarHBondContact O-N 3.05Å; Q166-D170 PolarHBondContact O-N 3.28Å |
| 167 | K | 94.8 | Very high | 95.5 | Very high | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.665 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -55.8 | -35.6 | 176.1 | -74.7 | -179.2 | 179 | -167.7 | 0 | 113.8 | K163 L165 A171 | K163-K167 WeakPolarHBondContact O-CB 3.34Å; K163-K167 VanDerWaalsContact O-CG 3.31Å; K163-K167 WeakPolarHBondContact O-CG 3.41Å; K163-K167 PolarHBondContact O-N 3.48Å; L165-K167 PolarHBondContact O-N 3.11Å; K167-A171 VanDerWaalsContact O-CB 3.31Å; K167-A171 WeakPolarHBondContact O-CB 3.34Å; K167-A171 PolarHBondContact O-N 2.92Å |
| 168 | K | 95.4 | Very high | 95.3 | Very high | 141 Ų | 141 | 104.8 Ų | 104.8 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.4 | -41.6 | 175.8 | -74.6 | 177.4 | 178.5 | -171.9 | 0 | 111.5 | R164 L165 Q166 L172 | R164-K168 WeakPolarHBondContact O-CG 3.37Å; R164-K168 PolarHBondContact O-N 2.94Å; R164-K168 VanDerWaalsContact O-N 3.15Å; L165-K168 WeakPolarHBondContact O-CB 3.42Å; L165-K168 PolarHBondContact O-N 3.38Å; L165-K168 VanDerWaalsContact O-N 3.11Å; Q166-K168 PolarHBondContact O-N 3.17Å; Q166-K168 VanDerWaalsContact O-N 3.15Å; K168-L172 VanDerWaalsContact O-CG 3.28Å; K168-L172 WeakPolarHBondContact O-CG 3.32Å; K168-L172 PolarHBondContact O-N 2.79Å; K168-L172 VanDerWaalsContact O-N 3.09Å |
| 169 | I | 95.5 | Very high | 95.2 | Very high | 98 Ų | 98 | 106 Ų | 106 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 176.5 | -66.6 | 166.7 | 0 | 0 | 0 | 109.7 | L165 Q166 A171 L172 L173 | L165-I169 WeakPolarHBondContact O-CG1 3.47Å; L165-I169 PolarHBondContact O-N 2.89Å; Q166-I169 WeakPolarHBondContact O-CA 3.36Å; Q166-I169 WeakPolarHBondContact O-CB 3.23Å; Q166-I169 PolarHBondContact O-N 3.05Å; I169-A171 VanDerWaalsContact C-N 3.33Å; I169-A171 PolarHBondContact O-N 3.22Å; I169-L172 WeakPolarHBondContact O-CB 3.18Å; I169-L172 PolarHBondContact O-N 3.06Å; I169-L172 VanDerWaalsContact O-N 3.1Å; I169-L173 HydrophobicContact CG2-CD1 4.14Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.49Å; I169-L173 PolarHBondContact O-N 3.44Å |
| 170 | D | 94.5 | Very high | 95.1 | Very high | 87 Ų | 87 | 105.1 Ų | 105.1 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 178.7 | -60.7 | -23.5 | 0 | 0 | 0 | 111.1 | Q166 L172 L173 D174 | Q166-D170 PolarHBondContact O-N 3.28Å; D170-L172 VanDerWaalsContact C-N 3.32Å; D170-L172 PolarHBondContact O-N 2.78Å; D170-L173 PolarHBondContact O-N 3.13Å; D170-D174 PolarHBondContact O-N 2.98Å |
| 171 | A | 95 | Very high | 95 | Very high | 44 Ų | 44 | 106.3 Ų | 106.3 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K167 I169 D174 D175 | K167-A171 VanDerWaalsContact O-CB 3.31Å; K167-A171 WeakPolarHBondContact O-CB 3.34Å; K167-A171 PolarHBondContact O-N 2.92Å; I169-A171 VanDerWaalsContact C-N 3.33Å; I169-A171 PolarHBondContact O-N 3.22Å; A171-D174 PolarHBondContact O-N 2.95Å; A171-D175 WeakPolarHBondContact O-CB 3.42Å; A171-D175 PolarHBondContact O-N 3.27Å |
| 172 | L | 96.2 | Very high | 94.9 | Very high | 107 Ų | 107 | 107.5 Ų | 107.5 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -38.4 | 175.8 | -71.1 | 171.9 | 0 | 0 | 0 | 111.9 | K168 I169 D170 D175 Q176 | K168-L172 VanDerWaalsContact O-CG 3.28Å; K168-L172 WeakPolarHBondContact O-CG 3.32Å; K168-L172 PolarHBondContact O-N 2.79Å; K168-L172 VanDerWaalsContact O-N 3.09Å; I169-L172 WeakPolarHBondContact O-CB 3.18Å; I169-L172 PolarHBondContact O-N 3.06Å; I169-L172 VanDerWaalsContact O-N 3.1Å; D170-L172 VanDerWaalsContact C-N 3.32Å; D170-L172 PolarHBondContact O-N 2.78Å; L172-D175 PolarHBondContact O-N 3.36Å; L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.4Å |
| 173 | L | 95.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 109.4 Ų | 109.4 | 40% | 0.398 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 175.1 | -69.4 | 173.2 | 0 | 0 | 0 | 111 | I169 D170 D175 Q176 H177 | I169-L173 HydrophobicContact CG2-CD1 4.14Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.49Å; I169-L173 PolarHBondContact O-N 3.44Å; D170-L173 PolarHBondContact O-N 3.13Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 2.9Å; L173-Q176 PolarHBondContact O-N 2.87Å; L173-H177 WeakPolarHBondContact O-CB 3.33Å; L173-H177 PolarHBondContact O-CD2 3.13Å; L173-H177 PolarHBondContact O-N 2.95Å |
| 174 | D | 94.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 110.2 Ų | 110.2 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 175.1 | -74.3 | -19.2 | 0 | 0 | 0 | 111.5 | D170 A171 H177 R178 | D170-D174 PolarHBondContact O-N 2.98Å; A171-D174 PolarHBondContact O-N 2.95Å; D174-H177 PolarHBondContact O-N 3.04Å; D174-R178 VanDerWaalsContact O-CG 3.28Å; D174-R178 WeakPolarHBondContact O-CG 3.46Å; D174-R178 PolarHBondContact O-N 2.65Å |
| 175 | D | 93.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 105.4 Ų | 105.4 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 176.8 | -75.3 | -22.2 | 0 | 0 | 0 | 112 | A171 L172 L173 R178 Q179 | A171-D175 WeakPolarHBondContact O-CB 3.42Å; A171-D175 PolarHBondContact O-N 3.27Å; L172-D175 PolarHBondContact O-N 3.36Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 2.9Å; D175-R178 PolarHBondContact O-N 3.18Å; D175-R178 IonicContact OD1-NH1 3.98Å; D175-Q179 WeakPolarHBondContact O-CG 3.25Å; D175-Q179 PolarHBondContact O-N 2.94Å |
| 176 | Q | 94.4 | Very high | 94.7 | Very high | 109 Ų | 109 | 105.9 Ų | 105.9 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 173 | -75.7 | 178.5 | -0 | 0 | 0 | 111.4 | L172 L173 R178 Q179 E180 | L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.4Å; L173-Q176 PolarHBondContact O-N 2.87Å; Q176-R178 VanDerWaalsContact C-N 3.33Å; Q176-R178 PolarHBondContact O-N 2.95Å; Q176-Q179 PolarHBondContact O-N 3.44Å; Q176-E180 WeakPolarHBondContact O-CG 3.47Å; Q176-E180 PolarHBondContact O-N 3.39Å |
| 177 | H | 94.7 | Very high | 94.6 | Very high | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 177.6 | -74.8 | -47.2 | 0 | 0 | 0 | 112.3 | L173 D174 E180 M181 | L173-H177 WeakPolarHBondContact O-CB 3.33Å; L173-H177 PolarHBondContact O-CD2 3.13Å; L173-H177 PolarHBondContact O-N 2.95Å; D174-H177 PolarHBondContact O-N 3.04Å; H177-E180 IonicContact ND1-OE2 2.72Å; H177-E180 PolarHBondContact ND1-OE2 3.25Å; H177-E180 PolarHBondContact O-N 3.3Å; H177-M181 VanDerWaalsContact O-CG 3.28Å; H177-M181 WeakPolarHBondContact O-CG 3.29Å; H177-M181 PolarHBondContact O-N 2.98Å |
| 178 | R | 93.7 | Very high | 94.6 | Very high | 156 Ų | 156 | 104.5 Ų | 104.5 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.2 | -48.7 | 173.1 | -74.7 | 172.5 | -171.5 | 172.8 | 2.7 | 111.6 | D174 D175 Q176 E180 M181 D182 | D174-R178 VanDerWaalsContact O-CG 3.28Å; D174-R178 WeakPolarHBondContact O-CG 3.46Å; D174-R178 PolarHBondContact O-N 2.65Å; D175-R178 PolarHBondContact O-N 3.18Å; D175-R178 IonicContact OD1-NH1 3.98Å; Q176-R178 VanDerWaalsContact C-N 3.33Å; Q176-R178 PolarHBondContact O-N 2.95Å; R178-E180 VanDerWaalsContact C-N 3.3Å; R178-E180 PolarHBondContact O-N 2.95Å; R178-M181 PolarHBondContact O-N 2.98Å; R178-D182 PolarHBondContact O-N 2.72Å |
| 179 | Q | 94.9 | Very high | 94.5 | Very high | 106 Ų | 106 | 102.3 Ų | 102.3 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 177.6 | -69.6 | 175 | 19.6 | 0 | 0 | 112.3 | D175 Q176 R183 | D175-Q179 WeakPolarHBondContact O-CG 3.25Å; D175-Q179 PolarHBondContact O-N 2.94Å; Q176-Q179 PolarHBondContact O-N 3.44Å; Q179-R183 VanDerWaalsContact O-CG 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.5Å; Q179-R183 PolarHBondContact O-N 3.42Å |
| 180 | E | 94.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 102.2 Ų | 102.2 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 175.1 | -72.8 | 179.1 | 169.1 | 0 | 0 | 112.3 | Q176 H177 R178 R183 R184 | Q176-E180 WeakPolarHBondContact O-CG 3.47Å; Q176-E180 PolarHBondContact O-N 3.39Å; H177-E180 IonicContact ND1-OE2 2.72Å; H177-E180 PolarHBondContact ND1-OE2 3.25Å; H177-E180 PolarHBondContact O-N 3.3Å; R178-E180 VanDerWaalsContact C-N 3.3Å; R178-E180 PolarHBondContact O-N 2.95Å; E180-R183 PolarHBondContact O-N 3.22Å; E180-R184 WeakPolarHBondContact O-CG 3.49Å; E180-R184 PolarHBondContact O-N 3.45Å |
| 181 | M | 93.7 | Very high | 94.5 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -40.8 | 177.9 | -68 | -57.8 | -69.6 | 0 | 0 | 111.8 | H177 R178 R183 R184 A185 | H177-M181 VanDerWaalsContact O-CG 3.28Å; H177-M181 WeakPolarHBondContact O-CG 3.29Å; H177-M181 PolarHBondContact O-N 2.98Å; R178-M181 PolarHBondContact O-N 2.98Å; M181-R183 VanDerWaalsContact C-N 3.34Å; M181-R183 PolarHBondContact O-N 3.37Å; M181-R184 PolarHBondContact O-N 3.36Å; M181-A185 WeakPolarHBondContact O-CB 3.33Å; M181-A185 PolarHBondContact O-N 3.02Å |
| 182 | D | 94.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 105.3 Ų | 105.3 | 57% | 0.572 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 174.3 | -71.5 | -21.5 | 0 | 0 | 0 | 111.4 | R178 A185 M186 | R178-D182 PolarHBondContact O-N 2.72Å; D182-A185 PolarHBondContact O-N 2.89Å; D182-M186 WeakPolarHBondContact O-CG 3.5Å; D182-M186 PolarHBondContact O-N 3.02Å |
| 183 | R | 94.9 | Very high | 94.2 | Very high | 158 Ų | 158 | 103.6 Ų | 103.6 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.6 | -48.3 | 174.4 | -74.4 | 174.3 | -171.5 | 171.9 | 6.1 | 111.6 | Q179 E180 M181 A185 M186 E187 | Q179-R183 VanDerWaalsContact O-CG 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.5Å; Q179-R183 PolarHBondContact O-N 3.42Å; E180-R183 PolarHBondContact O-N 3.22Å; M181-R183 VanDerWaalsContact C-N 3.34Å; M181-R183 PolarHBondContact O-N 3.37Å; R183-A185 VanDerWaalsContact C-N 3.3Å; R183-A185 PolarHBondContact O-N 3.43Å; R183-M186 WeakPolarHBondContact O-CB 3.35Å; R183-M186 PolarHBondContact O-N 3.34Å; R183-E187 WeakPolarHBondContact O-CG 3.4Å; R183-E187 PolarHBondContact O-N 3.4Å |
| 184 | R | 95.1 | Very high | 94.1 | Very high | 138 Ų | 138 | 102.6 Ų | 102.6 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 177.1 | -73 | 176 | -176.7 | 167.6 | 4.7 | 112 | E180 M181 E187 L188 | E180-R184 WeakPolarHBondContact O-CG 3.49Å; E180-R184 PolarHBondContact O-N 3.45Å; M181-R184 PolarHBondContact O-N 3.36Å; R184-E187 PolarHBondContact O-N 2.91Å; R184-L188 WeakPolarHBondContact O-CB 3.27Å; R184-L188 WeakPolarHBondContact O-CG 3.31Å; R184-L188 PolarHBondContact O-N 3.42Å |
| 185 | A | 93.4 | Very high | 94 | Very high | 56 Ų | 56 | 105.3 Ų | 105.3 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M181 D182 R183 L188 H189 | M181-A185 WeakPolarHBondContact O-CB 3.33Å; M181-A185 PolarHBondContact O-N 3.02Å; D182-A185 PolarHBondContact O-N 2.89Å; R183-A185 VanDerWaalsContact C-N 3.3Å; R183-A185 PolarHBondContact O-N 3.43Å; A185-L188 PolarHBondContact O-N 3.32Å; A185-H189 WeakPolarHBondContact O-CB 3.38Å; A185-H189 PolarHBondContact O-N 3.4Å |
| 186 | M | 94.6 | Very high | 93.9 | Very high | 114 Ų | 114 | 108.3 Ų | 108.3 | 56% | 0.562 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 174.7 | -72.4 | -66.1 | -68.7 | 0 | 0 | 112.3 | D182 R183 H189 N190 | D182-M186 WeakPolarHBondContact O-CG 3.5Å; D182-M186 PolarHBondContact O-N 3.02Å; R183-M186 WeakPolarHBondContact O-CB 3.35Å; R183-M186 PolarHBondContact O-N 3.34Å; M186-H189 PolarHBondContact O-N 3.47Å; M186-N190 WeakPolarHBondContact O-CB 3.42Å; M186-N190 PolarHBondContact O-N 3.07Å; M186-N190 PolarHBondContact O-ND2 3.12Å |
| 187 | E | 93.9 | Very high | 93.8 | Very high | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -48.3 | 174.9 | -73.1 | 170.2 | -173.3 | 0 | 0 | 111.6 | R183 R184 H189 N190 L191 | R183-E187 WeakPolarHBondContact O-CG 3.4Å; R183-E187 PolarHBondContact O-N 3.4Å; R184-E187 PolarHBondContact O-N 2.91Å; E187-H189 VanDerWaalsContact C-N 3.35Å; E187-H189 PolarHBondContact O-N 3.01Å; E187-N190 PolarHBondContact O-N 3.28Å; E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 2.97Å |
| 188 | L | 94.5 | Very high | 93.6 | Very high | 120 Ų | 120 | 106.6 Ų | 106.6 | 63% | 0.628 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 176.6 | -73.9 | 174.4 | 0 | 0 | 0 | 112 | R184 A185 L191 E192 | R184-L188 WeakPolarHBondContact O-CB 3.27Å; R184-L188 WeakPolarHBondContact O-CG 3.31Å; R184-L188 PolarHBondContact O-N 3.42Å; A185-L188 PolarHBondContact O-N 3.32Å; L188-L191 PolarHBondContact O-N 2.69Å; L188-E192 WeakPolarHBondContact O-CB 3.22Å; L188-E192 PolarHBondContact O-N 3.12Å |
| 189 | H | 94.3 | Very high | 93.5 | Very high | 94 Ų | 94 | 103.5 Ų | 103.5 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 176.1 | -178 | 63.8 | 0 | 0 | 0 | 111.8 | A185 M186 E187 L191 E192 M193 | A185-H189 WeakPolarHBondContact O-CB 3.38Å; A185-H189 PolarHBondContact O-N 3.4Å; M186-H189 PolarHBondContact O-N 3.47Å; E187-H189 VanDerWaalsContact C-N 3.35Å; E187-H189 PolarHBondContact O-N 3.01Å; H189-L191 PolarHBondContact O-N 3.43Å; H189-E192 PolarHBondContact O-N 3.46Å; H189-M193 WeakPolarHBondContact O-CB 3.31Å; H189-M193 VanDerWaalsContact O-CG 3.29Å; H189-M193 WeakPolarHBondContact O-CG 3.47Å; H189-M193 PolarHBondContact O-N 2.91Å |
| 190 | N | 94.2 | Very high | 93.3 | Very high | 96 Ų | 96 | 104.1 Ų | 104.1 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.9 | -72.3 | -23.9 | 0 | 0 | 0 | 111.8 | M186 E187 M193 A194 | M186-N190 WeakPolarHBondContact O-CB 3.42Å; M186-N190 PolarHBondContact O-N 3.07Å; M186-N190 PolarHBondContact O-ND2 3.12Å; E187-N190 PolarHBondContact O-N 3.28Å; N190-M193 PolarHBondContact O-N 3.17Å; N190-A194 WeakPolarHBondContact O-CB 3.48Å; N190-A194 PolarHBondContact O-N 3.22Å |
| 191 | L | 94.2 | Very high | 93.1 | Very high | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 175.4 | -71.6 | 173.9 | 0 | 0 | 0 | 111.9 | E187 L188 H189 A194 K195 | E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 2.97Å; L188-L191 PolarHBondContact O-N 2.69Å; H189-L191 PolarHBondContact O-N 3.43Å; L191-A194 PolarHBondContact O-N 2.99Å; L191-K195 WeakPolarHBondContact O-CG 3.36Å; L191-K195 PolarHBondContact O-N 3.14Å |
| 192 | E | 93.9 | Very high | 92.9 | Very high | 87 Ų | 87 | 104.5 Ų | 104.5 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.4 | -170.7 | -171.2 | 176.2 | 0 | 0 | 111.3 | L188 H189 A194 K195 R196 | L188-E192 WeakPolarHBondContact O-CB 3.22Å; L188-E192 PolarHBondContact O-N 3.12Å; H189-E192 PolarHBondContact O-N 3.46Å; E192-A194 VanDerWaalsContact C-N 3.3Å; E192-A194 PolarHBondContact O-N 3.4Å; E192-K195 PolarHBondContact O-N 2.95Å; E192-R196 WeakPolarHBondContact O-CG 3.4Å; E192-R196 PolarHBondContact O-N 3.26Å; E192-R196 IonicContact OE1-CZ 2.66Å; E192-R196 VanDerWaalsContact OE1-CZ 3.27Å; E192-R196 IonicContact OE1-NE 2.71Å; E192-R196 PolarHBondContact OE1-NE 3.27Å; E192-R196 IonicContact OE1-NH2 3.26Å; E192-R196 PolarHBondContact OE1-NH2 2.97Å |
| 193 | M | 92 | Very high | 92.7 | Very high | 72 Ų | 72 | 103.9 Ų | 103.9 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 176.9 | -71 | -59.3 | -70 | 0 | 0 | 112.1 | H189 N190 K197 | H189-M193 WeakPolarHBondContact O-CB 3.31Å; H189-M193 VanDerWaalsContact O-CG 3.29Å; H189-M193 WeakPolarHBondContact O-CG 3.47Å; H189-M193 PolarHBondContact O-N 2.91Å; N190-M193 PolarHBondContact O-N 3.17Å; M193-K197 WeakPolarHBondContact O-CB 3.48Å; M193-K197 VanDerWaalsContact O-CG 3.28Å; M193-K197 WeakPolarHBondContact O-CG 3.37Å; M193-K197 PolarHBondContact O-N 3.11Å |
| 194 | A | 92.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N190 L191 E192 K197 A198 | N190-A194 WeakPolarHBondContact O-CB 3.48Å; N190-A194 PolarHBondContact O-N 3.22Å; L191-A194 PolarHBondContact O-N 2.99Å; E192-A194 VanDerWaalsContact C-N 3.3Å; E192-A194 PolarHBondContact O-N 3.4Å; A194-K197 PolarHBondContact O-N 3.15Å; A194-A198 PolarHBondContact O-N 2.94Å |
| 195 | K | 91.7 | Very high | 92.1 | Very high | 146 Ų | 146 | 97 Ų | 97 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.1 | -51.2 | 174 | -74.5 | -176.7 | 177.7 | -173.9 | 0 | 111.6 | L191 E192 K197 A198 D199 | L191-K195 WeakPolarHBondContact O-CG 3.36Å; L191-K195 PolarHBondContact O-N 3.14Å; E192-K195 PolarHBondContact O-N 2.95Å; K195-K197 PolarHBondContact O-N 3.47Å; K195-A198 CarbonylContact O-C 3.36Å; K195-A198 WeakPolarHBondContact O-CA 3.4Å; K195-A198 WeakPolarHBondContact O-CB 3.19Å; K195-A198 PolarHBondContact O-N 2.95Å; K195-D199 PolarHBondContact O-N 2.94Å |
| 196 | R | 91.7 | Very high | 91.9 | Very high | 136 Ų | 136 | 100.6 Ų | 100.6 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.7 | -38.2 | 176.9 | -70.8 | -177.7 | -175 | -171.2 | 1.8 | 112.5 | E192 L200 | E192-R196 WeakPolarHBondContact O-CG 3.4Å; E192-R196 PolarHBondContact O-N 3.26Å; E192-R196 IonicContact OE1-CZ 2.66Å; E192-R196 VanDerWaalsContact OE1-CZ 3.27Å; E192-R196 IonicContact OE1-NE 2.71Å; E192-R196 PolarHBondContact OE1-NE 3.27Å; E192-R196 IonicContact OE1-NH2 3.26Å; E192-R196 PolarHBondContact OE1-NH2 2.97Å; R196-L200 WeakPolarHBondContact O-CB 3.33Å; R196-L200 WeakPolarHBondContact O-CG 3.36Å; R196-L200 PolarHBondContact O-N 2.93Å |
| 197 | K | 92.6 | Very high | 91.5 | Very high | 135 Ų | 135 | 99.6 Ų | 99.6 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 174.4 | -76.8 | 175.9 | -179 | -178.5 | 0 | 112.2 | M193 A194 K195 L200 I201 | M193-K197 WeakPolarHBondContact O-CB 3.48Å; M193-K197 VanDerWaalsContact O-CG 3.28Å; M193-K197 WeakPolarHBondContact O-CG 3.37Å; M193-K197 PolarHBondContact O-N 3.11Å; A194-K197 PolarHBondContact O-N 3.15Å; K195-K197 PolarHBondContact O-N 3.47Å; K197-L200 PolarHBondContact O-N 3.44Å; K197-I201 WeakPolarHBondContact O-CD1 2.94Å; K197-I201 VanDerWaalsContact O-CG1 3.28Å; K197-I201 WeakPolarHBondContact O-CG1 3.47Å; K197-I201 PolarHBondContact O-N 2.88Å |
| 198 | A | 91.4 | Very high | 91 | Very high | 44 Ų | 44 | 96.6 Ų | 96.6 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A194 K195 L200 I201 D202 | A194-A198 PolarHBondContact O-N 2.94Å; K195-A198 CarbonylContact O-C 3.36Å; K195-A198 WeakPolarHBondContact O-CA 3.4Å; K195-A198 WeakPolarHBondContact O-CB 3.19Å; K195-A198 PolarHBondContact O-N 2.95Å; A198-L200 VanDerWaalsContact C-N 3.3Å; A198-L200 PolarHBondContact O-N 2.79Å; A198-I201 WeakPolarHBondContact O-CB 3.34Å; A198-I201 PolarHBondContact O-N 3.29Å; A198-D202 PolarHBondContact O-N 3.31Å |
| 199 | D | 90.4 | Very high | 90.6 | Very high | 91 Ų | 91 | 93.4 Ų | 93.4 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 176.5 | -59.5 | -25.5 | 0 | 0 | 0 | 111.1 | K195 I201 D202 D203 | K195-D199 PolarHBondContact O-N 2.94Å; D199-I201 VanDerWaalsContact C-N 3.35Å; D199-I201 PolarHBondContact O-N 2.98Å; D199-D202 PolarHBondContact O-N 3.36Å; D199-D203 WeakPolarHBondContact O-CB 3.48Å; D199-D203 PolarHBondContact O-N 3.4Å |
| 200 | L | 90.8 | Very high | 90 | Very high | 118 Ų | 118 | 94 Ų | 94 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 175.2 | -76.2 | 170.2 | 0 | 0 | 0 | 113.1 | R196 K197 A198 A204 | R196-L200 WeakPolarHBondContact O-CB 3.33Å; R196-L200 WeakPolarHBondContact O-CG 3.36Å; R196-L200 PolarHBondContact O-N 2.93Å; K197-L200 PolarHBondContact O-N 3.44Å; A198-L200 VanDerWaalsContact C-N 3.3Å; A198-L200 PolarHBondContact O-N 2.79Å; L200-A204 VanDerWaalsContact O-CB 3.3Å; L200-A204 WeakPolarHBondContact O-CB 3.35Å; L200-A204 PolarHBondContact O-N 2.62Å |
| 201 | I | 91.3 | Very high | 89.3 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 175.9 | -69.3 | 163.6 | 0 | 0 | 0 | 109.8 | K197 A198 D199 A204 N205 | K197-I201 WeakPolarHBondContact O-CD1 2.94Å; K197-I201 VanDerWaalsContact O-CG1 3.28Å; K197-I201 WeakPolarHBondContact O-CG1 3.47Å; K197-I201 PolarHBondContact O-N 2.88Å; A198-I201 WeakPolarHBondContact O-CB 3.34Å; A198-I201 PolarHBondContact O-N 3.29Å; D199-I201 VanDerWaalsContact C-N 3.35Å; D199-I201 PolarHBondContact O-N 2.98Å; I201-A204 PolarHBondContact O-N 2.88Å; I201-N205 WeakPolarHBondContact O-CB 3.5Å; I201-N205 PolarHBondContact O-N 3.18Å; I201-N205 PolarHBondContact O-ND2 3.17Å |
| 202 | D | 90 | Very high | 88.7 | Confident | 100 Ų | 100 | 93.8 Ų | 93.8 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 177.7 | -72.9 | -15.5 | 0 | 0 | 0 | 111.3 | A198 D199 N205 Y206 | A198-D202 PolarHBondContact O-N 3.31Å; D199-D202 PolarHBondContact O-N 3.36Å; D202-N205 PolarHBondContact O-N 3.17Å; D202-Y206 WeakPolarHBondContact O-CB 3.46Å; D202-Y206 PolarHBondContact O-N 3.19Å |
| 203 | D | 89.4 | Confident | 88 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 172.4 | -80 | -18.5 | 0 | 0 | 0 | 111.6 | D199 Y206 N207 | D199-D203 WeakPolarHBondContact O-CB 3.48Å; D199-D203 PolarHBondContact O-N 3.4Å; D203-Y206 PolarHBondContact O-N 3.37Å; D203-N207 VanDerWaalsContact O-CB 3.27Å; D203-N207 WeakPolarHBondContact O-CB 3.48Å; D203-N207 PolarHBondContact O-N 3.27Å; D203-N207 PolarHBondContact O-ND2 3.44Å |
| 204 | A | 89 | Confident | 87.2 | Confident | 54 Ų | 54 | 97.3 Ų | 97.3 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L200 I201 N207 A208 | L200-A204 VanDerWaalsContact O-CB 3.3Å; L200-A204 WeakPolarHBondContact O-CB 3.35Å; L200-A204 PolarHBondContact O-N 2.62Å; I201-A204 PolarHBondContact O-N 2.88Å; A204-N207 PolarHBondContact O-N 2.96Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 3.47Å |
| 205 | N | 89.3 | Confident | 86.2 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176 | -70.6 | -25.6 | 0 | 0 | 0 | 111.5 | I201 D202 A208 A209 | I201-N205 WeakPolarHBondContact O-CB 3.5Å; I201-N205 PolarHBondContact O-N 3.18Å; I201-N205 PolarHBondContact O-ND2 3.17Å; D202-N205 PolarHBondContact O-N 3.17Å; N205-A208 PolarHBondContact O-N 3.03Å; N205-A209 WeakPolarHBondContact O-CB 3.43Å; N205-A209 PolarHBondContact O-N 3.4Å |
| 206 | Y | 88.1 | Confident | 85.2 | Confident | 133 Ų | 133 | 93.4 Ų | 93.4 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.2 | 176 | -98.8 | 0 | 0 | 0 | 111.3 | D202 D203 A208 A209 K210 | D202-Y206 WeakPolarHBondContact O-CB 3.46Å; D202-Y206 PolarHBondContact O-N 3.19Å; D203-Y206 PolarHBondContact O-N 3.37Å; Y206-A208 VanDerWaalsContact C-N 3.35Å; Y206-A208 PolarHBondContact O-N 2.89Å; Y206-A209 PolarHBondContact O-N 2.86Å; Y206-K210 HydrophobicContact CE1-CD 3.78Å; Y206-K210 VanDerWaalsContact O-CB 3.27Å; Y206-K210 WeakPolarHBondContact O-CB 3.26Å; Y206-K210 PolarHBondContact O-N 2.96Å; Y206-K210 PolarHBondContact OH-NZ 3.37Å |
| 207 | N | 85.4 | Confident | 83.9 | Confident | 93 Ų | 93 | 93.5 Ų | 93.5 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.5 | -74.3 | -33.4 | 0 | 0 | 0 | 111.8 | D203 A204 K210 L211 | D203-N207 VanDerWaalsContact O-CB 3.27Å; D203-N207 WeakPolarHBondContact O-CB 3.48Å; D203-N207 PolarHBondContact O-N 3.27Å; D203-N207 PolarHBondContact O-ND2 3.44Å; A204-N207 PolarHBondContact O-N 2.96Å; N207-K210 PolarHBondContact O-N 3.39Å; N207-L211 WeakPolarHBondContact O-CB 3.28Å; N207-L211 PolarHBondContact O-N 3.06Å |
| 208 | A | 85.1 | Confident | 82.5 | Confident | 54 Ų | 54 | 90 Ų | 90 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A204 N205 Y206 K210 L211 V212 | A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 3.47Å; N205-A208 PolarHBondContact O-N 3.03Å; Y206-A208 VanDerWaalsContact C-N 3.35Å; Y206-A208 PolarHBondContact O-N 2.89Å; A208-K210 VanDerWaalsContact C-N 3.35Å; A208-K210 PolarHBondContact O-N 3.06Å; A208-L211 WeakPolarHBondContact O-CB 3.43Å; A208-L211 PolarHBondContact O-N 3.04Å; A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 2.99Å |
| 209 | A | 84.4 | Confident | 81 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | N205 Y206 L211 V212 E213 | N205-A209 WeakPolarHBondContact O-CB 3.43Å; N205-A209 PolarHBondContact O-N 3.4Å; Y206-A209 PolarHBondContact O-N 2.86Å; A209-L211 VanDerWaalsContact C-N 3.31Å; A209-L211 PolarHBondContact O-N 3.34Å; A209-V212 WeakPolarHBondContact O-CB 3.43Å; A209-V212 PolarHBondContact O-N 3.36Å; A209-E213 PolarHBondContact O-N 3.19Å |
| 210 | K | 83.3 | Confident | 79.4 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -32.3 | 176.1 | -164.2 | 168 | -169 | 166.3 | 0 | 112.4 | Y206 N207 A208 K214 | Y206-K210 HydrophobicContact CE1-CD 3.78Å; Y206-K210 VanDerWaalsContact O-CB 3.27Å; Y206-K210 WeakPolarHBondContact O-CB 3.26Å; Y206-K210 PolarHBondContact O-N 2.96Å; Y206-K210 PolarHBondContact OH-NZ 3.37Å; N207-K210 PolarHBondContact O-N 3.39Å; A208-K210 VanDerWaalsContact C-N 3.35Å; A208-K210 PolarHBondContact O-N 3.06Å; K210-K214 VanDerWaalsContact O-CB 3.29Å; K210-K214 WeakPolarHBondContact O-CB 3.3Å; K210-K214 PolarHBondContact O-N 3.13Å |
| 211 | L | 79.8 | Confident | 77.5 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 63% | 0.628 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 171.5 | -131.7 | 116.6 | 0 | 0 | 0 | 110.7 | N207 A208 A209 K214 T215 | N207-L211 WeakPolarHBondContact O-CB 3.28Å; N207-L211 PolarHBondContact O-N 3.06Å; A208-L211 WeakPolarHBondContact O-CB 3.43Å; A208-L211 PolarHBondContact O-N 3.04Å; A209-L211 VanDerWaalsContact C-N 3.31Å; A209-L211 PolarHBondContact O-N 3.34Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 PolarHBondContact O-N 2.94Å; L211-T215 WeakPolarHBondContact O-CG2 3.48Å; L211-T215 PolarHBondContact O-N 3.22Å; L211-T215 PolarHBondContact O-OG1 3.26Å |
| 212 | V | 81.2 | Confident | 75.4 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | A208 A209 K214 T215 N216 | A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 2.99Å; A209-V212 WeakPolarHBondContact O-CB 3.43Å; A209-V212 PolarHBondContact O-N 3.36Å; V212-K214 VanDerWaalsContact C-N 3.29Å; V212-K214 PolarHBondContact O-N 2.96Å; V212-T215 WeakPolarHBondContact CA-OG1 3.46Å; V212-T215 PolarHBondContact O-N 3.46Å; V212-T215 VanDerWaalsContact O-N 3.12Å; V212-T215 PolarHBondContact O-OG1 3.02Å; V212-N216 PolarHBondContact O-N 3.5Å |
| 213 | E | 78.3 | Confident | 73.3 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -42.7 | 172.9 | -78.8 | -162.8 | 157.7 | 0 | 0 | 111.7 | A209 N216 R217 | A209-E213 PolarHBondContact O-N 3.19Å; E213-N216 CarbonylContact O-C 3.59Å; E213-N216 PolarHBondContact O-N 3.38Å; E213-R217 WeakPolarHBondContact O-CB 3.39Å; E213-R217 WeakPolarHBondContact O-CG 3.35Å; E213-R217 PolarHBondContact O-N 3.34Å |
| 214 | K | 75.9 | Confident | 70.6 | Confident | 124 Ų | 124 | 108.6 Ų | 108.6 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.7 | -165.6 | -169.5 | -178.2 | -126.3 | 0 | 111.2 | K210 L211 V212 N216 R217 E218 | K210-K214 VanDerWaalsContact O-CB 3.29Å; K210-K214 WeakPolarHBondContact O-CB 3.3Å; K210-K214 PolarHBondContact O-N 3.13Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 PolarHBondContact O-N 2.94Å; V212-K214 VanDerWaalsContact C-N 3.29Å; V212-K214 PolarHBondContact O-N 2.96Å; K214-N216 VanDerWaalsContact C-N 3.3Å; K214-N216 PolarHBondContact O-N 3.03Å; K214-R217 CarbonylContact O-C 3.6Å; K214-R217 PolarHBondContact O-N 2.98Å; K214-E218 WeakPolarHBondContact CE-OE1 3.44Å; K214-E218 HydrophobicContact CG-CG 4.4Å; K214-E218 IonicContact NZ-OE1 3.85Å; K214-E218 PolarHBondContact NZ-OE1 3.33Å; K214-E218 VanDerWaalsContact O-CB 3.23Å; K214-E218 WeakPolarHBondContact O-CB 3.34Å; K214-E218 WeakPolarHBondContact O-CG 3.35Å; K214-E218 PolarHBondContact O-N 3.35Å |
| 215 | T | 71.8 | Confident | 68 | Low | 55 Ų | 55 | 112.8 Ų | 112.8 | 34% | 0.337 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66 | -32.2 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | L211 V212 R219 | L211-T215 WeakPolarHBondContact O-CG2 3.48Å; L211-T215 PolarHBondContact O-N 3.22Å; L211-T215 PolarHBondContact O-OG1 3.26Å; V212-T215 WeakPolarHBondContact CA-OG1 3.46Å; V212-T215 PolarHBondContact O-N 3.46Å; V212-T215 VanDerWaalsContact O-N 3.12Å; V212-T215 PolarHBondContact O-OG1 3.02Å; T215-R219 VanDerWaalsContact O-CG 3.25Å; T215-R219 WeakPolarHBondContact O-CG 3.33Å; T215-R219 PolarHBondContact O-N 3.35Å |
| 216 | N | 69.4 | Low | 65.2 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 34% | 0.337 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.6 | -43.2 | 173.8 | -70.8 | -17.3 | 0 | 0 | 0 | 111.3 | V212 E213 K214 E218 R219 E220 | V212-N216 PolarHBondContact O-N 3.5Å; E213-N216 CarbonylContact O-C 3.59Å; E213-N216 PolarHBondContact O-N 3.38Å; K214-N216 VanDerWaalsContact C-N 3.3Å; K214-N216 PolarHBondContact O-N 3.03Å; N216-E218 VanDerWaalsContact C-N 3.29Å; N216-E218 PolarHBondContact O-N 2.95Å; N216-R219 CarbonylContact O-C 3.5Å; N216-R219 WeakPolarHBondContact O-CA 3.33Å; N216-R219 VanDerWaalsContact O-CB 3.32Å; N216-R219 WeakPolarHBondContact O-CB 3.48Å; N216-R219 PolarHBondContact O-N 3.04Å; N216-E220 WeakPolarHBondContact O-CG 3.36Å; N216-E220 PolarHBondContact O-N 3.09Å |
| 217 | R | 66 | Low | 62.7 | Low | 139 Ų | 139 | 114.4 Ų | 114.4 | 53% | 0.525 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.7 | -34.4 | 170 | -74.8 | -176.2 | -174.1 | 166.9 | 7.8 | 112.1 | E213 K214 R219 E220 Q221 | E213-R217 WeakPolarHBondContact O-CB 3.39Å; E213-R217 WeakPolarHBondContact O-CG 3.35Å; E213-R217 PolarHBondContact O-N 3.34Å; K214-R217 CarbonylContact O-C 3.6Å; K214-R217 PolarHBondContact O-N 2.98Å; R217-R219 VanDerWaalsContact C-N 3.31Å; R217-E220 PolarHBondContact O-N 3.38Å; R217-Q221 WeakPolarHBondContact O-CA 3.44Å; R217-Q221 WeakPolarHBondContact O-CB 3.49Å; R217-Q221 WeakPolarHBondContact O-CG 3.43Å; R217-Q221 PolarHBondContact O-N 2.98Å |
| 218 | E | 62.6 | Low | 60.1 | Low | 61 Ų | 61 | 113.5 Ų | 113.5 | 29% | 0.285 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.5 | -23.9 | 172.4 | -76.7 | 175 | -171.6 | 0 | 0 | 111.3 | K214 N216 R222 | K214-E218 WeakPolarHBondContact CE-OE1 3.44Å; K214-E218 HydrophobicContact CG-CG 4.4Å; K214-E218 IonicContact NZ-OE1 3.85Å; K214-E218 PolarHBondContact NZ-OE1 3.33Å; K214-E218 VanDerWaalsContact O-CB 3.23Å; K214-E218 WeakPolarHBondContact O-CB 3.34Å; K214-E218 WeakPolarHBondContact O-CG 3.35Å; K214-E218 PolarHBondContact O-N 3.35Å; N216-E218 VanDerWaalsContact C-N 3.29Å; N216-E218 PolarHBondContact O-N 2.95Å; E218-R222 WeakPolarHBondContact O-CB 3.42Å; E218-R222 WeakPolarHBondContact O-CD 3.4Å; E218-R222 WeakPolarHBondContact O-CG 3.27Å; E218-R222 PolarHBondContact O-N 3.34Å |
| 219 | R | 59.9 | Low | 57.5 | Low | 168 Ų | 168 | 115.7 Ų | 115.7 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.1 | -40.9 | 167.8 | -76.1 | 167.7 | 176.9 | 172 | -2.5 | 111.2 | T215 N216 R217 R222 | T215-R219 VanDerWaalsContact O-CG 3.25Å; T215-R219 WeakPolarHBondContact O-CG 3.33Å; T215-R219 PolarHBondContact O-N 3.35Å; N216-R219 CarbonylContact O-C 3.5Å; N216-R219 WeakPolarHBondContact O-CA 3.33Å; N216-R219 VanDerWaalsContact O-CB 3.32Å; N216-R219 WeakPolarHBondContact O-CB 3.48Å; N216-R219 PolarHBondContact O-N 3.04Å; R217-R219 VanDerWaalsContact C-N 3.31Å; R219-R222 PolarHBondContact O-N 2.99Å |
| 220 | E | 56.7 | Low | 55 | Low | 130 Ų | 130 | 121.1 Ų | 121.1 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.2 | -40.3 | 174.4 | -68.6 | 165.8 | 179.7 | 0 | 0 | 111.6 | N216 R217 R222 E223 | N216-E220 WeakPolarHBondContact O-CG 3.36Å; N216-E220 PolarHBondContact O-N 3.09Å; R217-E220 PolarHBondContact O-N 3.38Å; E220-R222 PolarHBondContact O-N 3.46Å; E220-E223 PolarHBondContact O-N 3Å; E220-E223 VanDerWaalsContact O-N 3.15Å |
| 221 | Q | 51 | Low | 52.4 | Low | 135 Ų | 135 | 121.2 Ų | 121.2 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 0.4 | 172.6 | -66.1 | 173.6 | -3.9 | 0 | 0 | 112.9 | R217 | R217-Q221 WeakPolarHBondContact O-CA 3.44Å; R217-Q221 WeakPolarHBondContact O-CB 3.49Å; R217-Q221 WeakPolarHBondContact O-CG 3.43Å; R217-Q221 PolarHBondContact O-N 2.98Å |
| 222 | R | 47.5 | Very low | 50.3 | Low | 199 Ų | 199 | 122.6 Ų | 122.6 | 75% | 0.751 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -2.1 | 163.6 | -84 | 168.4 | -170 | -174.8 | 5.1 | 112.1 | E218 R219 E220 | E218-R222 WeakPolarHBondContact O-CB 3.42Å; E218-R222 WeakPolarHBondContact O-CD 3.4Å; E218-R222 WeakPolarHBondContact O-CG 3.27Å; E218-R222 PolarHBondContact O-N 3.34Å; R219-R222 PolarHBondContact O-N 2.99Å; E220-R222 PolarHBondContact O-N 3.46Å |
| 223 | E | 44.4 | Very low | 48.6 | Very low | 171 Ų | 171 | 123.9 Ų | 123.9 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -99.8 | -9.7 | 165.6 | -68.9 | -171.8 | 158.8 | 0 | 0 | 113.4 | E220 | E220-E223 PolarHBondContact O-N 3Å; E220-E223 VanDerWaalsContact O-N 3.15Å |
| 224 | D | 34.5 | Very low | 46.4 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -127.5 | 116 | 167.6 | -83.1 | -39.3 | 0 | 0 | 0 | 111.2 | A226 | D224-A226 PolarHBondContact O-N 3.49Š|
| 225 | V | 33.7 | Very low | 44.7 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -62.2 | 122 | -163.9 | 173 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 226 | A | 30.6 | Very low | 43.3 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | trans | 37.9 | 128.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | D224 | D224-A226 PolarHBondContact O-N 3.49Š| ||
| 227 | L | 35 | Very low | 42.1 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 97% | 0.974 | 73% | 0.731 | S | S | * | * | -170.2 | 140.3 | 123.8 | -96.7 | 154.5 | 0 | 0 | 0 | 112.4 | |||||
| 228 | G | 31.5 | Very low | 41 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -66.1 | 147.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 229 | A | 30.8 | Very low | 39.9 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -67.4 | 147.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 230 | L | 32 | Very low | 39.1 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -132.6 | 119.6 | 160.7 | -77.2 | 172.9 | 0 | 0 | 0 | 110.2 | ||||
| 231 | S | 28.7 | Very low | 38.4 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 65.4 | 151.3 | 139.4 | -129.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 232 | I | 35.5 | Very low | 38.5 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | cis | -157.5 | -150.9 | 25.5 | -42.4 | 167.7 | 0 | 0 | 0 | 107 | ||||
| 233 | P | 45.1 | Very low | 38.5 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | -106.3 | 178.1 | -129.3 | 38.5 | -17.2 | 0 | 0 | 0 | 114.4 | |||||
| 234 | A | 32.2 | Very low | 38.8 | Very low | 85 Ų | 85 | 137.3 Ų | 137.3 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -145.9 | 106.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 235 | L | 39.8 | Very low | 39.9 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.6 | 150.2 | -81.1 | 92.2 | 0 | 0 | 0 | 108.5 | ||
| 236 | Y | 42.5 | Very low | 41.1 | Very low | 223 Ų | 223 | 135.4 Ų | 135.4 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 125.6 | 161.1 | -92.9 | -90.7 | 0 | 0 | 0 | 109.9 | ||
| 237 | P | 44.6 | Very low | 42.8 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 132.2 | 158.6 | 6.8 | 12.6 | 0 | 0 | 0 | 110.1 | ||
| 238 | G | 42 | Very low | 44.1 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 155.2 | 88.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 239 | A | 40 | Very low | 45.9 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -146.5 | 105.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | R241 | A239-R241 PolarHBondContact O-N 2.9Š| ||
| 240 | N | 42.7 | Very low | 48 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -57.6 | 129.3 | 168.7 | -78 | -42.7 | 0 | 0 | 0 | 109.5 | K242 | N240-K242 PolarHBondContact O-N 3.39Š| ||
| 241 | R | 42.1 | Very low | 50 | Low | 237 Ų | 237 | 133.1 Ų | 133.1 | 89% | 0.894 | 74% | 0.739 | S | S | * | * | trans | -57.1 | 113.2 | 174.2 | -71 | 172.1 | 171.3 | 160.4 | -4.1 | 109.2 | A239 | A239-R241 PolarHBondContact O-N 2.9Š| ||
| 242 | K | 53.8 | Low | 52.4 | Low | 199 Ų | 199 | 131.5 Ų | 131.5 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128.9 | 144.3 | -74.8 | 179.1 | 175.9 | -180 | 0 | 105.6 | N240 | N240-K242 PolarHBondContact O-N 3.39Š|
| 243 | D | 46.3 | Very low | 54.7 | Low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 144.6 | 169.2 | -67 | -42 | 0 | 0 | 0 | 109.2 | A245 | D243-A245 PolarHBondContact O-N 3.49Š|
| 244 | P | 51.3 | Low | 56.5 | Low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 129 | -172.2 | -15.9 | 28.4 | 0 | 0 | 0 | 109.6 | E246 | P244-E246 PolarHBondContact O-N 3.31Š|
| 245 | A | 58 | Low | 58.9 | Low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 70% | 0.698 | S | S | * | * | trans | -57.7 | 115 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | D243 T247 | D243-A245 PolarHBondContact O-N 3.49Å; A245-T247 PolarHBondContact O-N 2.93Å | ||
| 246 | E | 58 | Low | 61.2 | Low | 143 Ų | 143 | 129.1 Ų | 129.1 | 67% | 0.668 | 68% | 0.684 | S | S | * | * | trans | -48.8 | 129.8 | 173.9 | -68.7 | -177.7 | 171.7 | 0 | 0 | 108.6 | P244 Q248 | P244-E246 PolarHBondContact O-N 3.31Å; E246-Q248 PolarHBondContact O-N 2.98Å | ||
| 247 | T | 66.8 | Low | 63.4 | Low | 79 Ų | 79 | 124.1 Ų | 124.1 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | trans | -61.4 | 126.6 | -177.3 | -57.2 | 0 | 0 | 0 | 0 | 107.4 | A245 Q249 Q250 | A245-T247 PolarHBondContact O-N 2.93Å; T247-Q249 HydrophobicContact CG2-CB 4.05Å; T247-Q249 HydrophobicContact CG2-CG 4.13Å; T247-Q249 PolarHBondContact O-N 3.43Å; T247-Q250 PolarHBondContact O-N 2.89Å | ||
| 248 | Q | 63.3 | Low | 65.3 | Low | 170 Ų | 170 | 123.1 Ų | 123.1 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -46.5 | -26.3 | -177.6 | -70.9 | 175.9 | -17 | 0 | 0 | 113.7 | E246 T252 | E246-Q248 PolarHBondContact O-N 2.98Å; Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 3.46Å |
| 249 | Q | 69.6 | Low | 67.5 | Low | 135 Ų | 135 | 123 Ų | 123 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.3 | -38.3 | 174.5 | -62.5 | -179.7 | -13 | 0 | 0 | 114 | T247 T252 Q253 | T247-Q249 HydrophobicContact CG2-CB 4.05Å; T247-Q249 HydrophobicContact CG2-CG 4.13Å; T247-Q249 PolarHBondContact O-N 3.43Å; Q249-T252 PolarHBondContact O-N 3.22Å; Q249-Q253 VanDerWaalsContact O-CG 3.28Å; Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 2.93Å |
| 250 | Q | 73.7 | Confident | 70 | Confident | 111 Ų | 111 | 123.9 Ų | 123.9 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.9 | -41.3 | 178.7 | -69.7 | 178.1 | -11.8 | 0 | 0 | 111.6 | T247 T252 Q253 F254 | T247-Q250 PolarHBondContact O-N 2.89Å; Q250-T252 VanDerWaalsContact C-N 3.31Å; Q250-T252 PolarHBondContact O-N 3.49Å; Q250-Q253 PolarHBondContact O-N 3.4Å; Q250-F254 WeakPolarHBondContact O-CB 3.37Å; Q250-F254 PolarHBondContact O-N 3.42Å |
| 251 | V | 74.3 | Confident | 72.1 | Confident | 60 Ų | 60 | 122.6 Ų | 122.6 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.9 | -40.4 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | F254 Q255 | V251-F254 PolarHBondContact O-N 2.94Å; V251-Q255 WeakPolarHBondContact O-CG 3.36Å; V251-Q255 PolarHBondContact O-N 3.38Å |
| 252 | T | 79.1 | Confident | 74.3 | Confident | 76 Ų | 76 | 117.9 Ų | 117.9 | 47% | 0.466 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.3 | -40.9 | 177.7 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | Q248 Q249 Q250 Q255 L256 | Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 3.46Å; Q249-T252 PolarHBondContact O-N 3.22Å; Q250-T252 VanDerWaalsContact C-N 3.31Å; Q250-T252 PolarHBondContact O-N 3.49Å; T252-Q255 PolarHBondContact O-N 2.79Å; T252-L256 HydrophobicContact CG2-CD1 4.5Å; T252-L256 WeakPolarHBondContact O-CG 3.31Å; T252-L256 PolarHBondContact O-N 3.13Å |
| 253 | Q | 83.8 | Confident | 76 | Confident | 116 Ų | 116 | 113.4 Ų | 113.4 | 54% | 0.542 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -41.3 | 175.4 | -75.1 | 174.6 | 6 | 0 | 0 | 112.1 | Q249 Q250 L256 Q257 | Q249-Q253 VanDerWaalsContact O-CG 3.28Å; Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 2.93Å; Q250-Q253 PolarHBondContact O-N 3.4Å; Q253-L256 PolarHBondContact O-N 2.92Å; Q253-Q257 WeakPolarHBondContact O-CG 3.49Å; Q253-Q257 PolarHBondContact O-N 3.44Å |
| 254 | F | 82.4 | Confident | 78.2 | Confident | 121 Ų | 121 | 114.4 Ų | 114.4 | 53% | 0.531 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.7 | -41.9 | 177.5 | -174.1 | -110.1 | 0 | 0 | 0 | 112.2 | Q250 V251 L256 Q257 Q258 | Q250-F254 WeakPolarHBondContact O-CB 3.37Å; Q250-F254 PolarHBondContact O-N 3.42Å; V251-F254 PolarHBondContact O-N 2.94Å; F254-L256 VanDerWaalsContact C-N 3.35Å; F254-L256 PolarHBondContact O-N 3.29Å; F254-Q257 WeakPolarHBondContact O-CB 3.44Å; F254-Q257 PolarHBondContact O-N 2.79Å; F254-Q258 HydrophobicContact CE1-CG 4.36Å; F254-Q258 WeakPolarHBondContact O-CG 3.39Å; F254-Q258 PolarHBondContact O-N 3.13Å |
| 255 | Q | 83.1 | Confident | 80.1 | Confident | 112 Ų | 112 | 114.7 Ų | 114.7 | 52% | 0.523 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -39.4 | 174.7 | -71.8 | 176.9 | 2.3 | 0 | 0 | 112.3 | V251 T252 Q257 Q258 V259 | V251-Q255 WeakPolarHBondContact O-CG 3.36Å; V251-Q255 PolarHBondContact O-N 3.38Å; T252-Q255 PolarHBondContact O-N 2.79Å; Q255-Q257 VanDerWaalsContact C-N 3.35Å; Q255-Q258 PolarHBondContact O-N 3.34Å; Q255-V259 WeakPolarHBondContact O-CG2 3.3Å; Q255-V259 PolarHBondContact O-N 2.76Å; Q255-V259 VanDerWaalsContact O-N 3.09Å |
| 256 | L | 88.9 | Confident | 81.7 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -41.4 | 173.7 | -76.5 | 168.4 | 0 | 0 | 0 | 111.7 | T252 Q253 F254 V259 L260 | T252-L256 HydrophobicContact CG2-CD1 4.5Å; T252-L256 WeakPolarHBondContact O-CG 3.31Å; T252-L256 PolarHBondContact O-N 3.13Å; Q253-L256 PolarHBondContact O-N 2.92Å; F254-L256 VanDerWaalsContact C-N 3.35Å; F254-L256 PolarHBondContact O-N 3.29Å; L256-V259 PolarHBondContact O-N 2.97Å; L256-L260 WeakPolarHBondContact O-CG 3.28Å; L256-L260 PolarHBondContact O-N 3.35Å |
| 257 | Q | 87.6 | Confident | 83.3 | Confident | 117 Ų | 117 | 115.4 Ų | 115.4 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 174.8 | -73.4 | 173.9 | -3.8 | 0 | 0 | 111.7 | Q253 F254 Q255 V259 L260 E261 | Q253-Q257 WeakPolarHBondContact O-CG 3.49Å; Q253-Q257 PolarHBondContact O-N 3.44Å; F254-Q257 WeakPolarHBondContact O-CB 3.44Å; F254-Q257 PolarHBondContact O-N 2.79Å; Q255-Q257 VanDerWaalsContact C-N 3.35Å; Q257-V259 VanDerWaalsContact C-N 3.35Å; Q257-V259 PolarHBondContact O-N 3.4Å; Q257-L260 PolarHBondContact O-N 3.36Å; Q257-E261 PolarHBondContact O-N 2.88Å |
| 258 | Q | 84 | Confident | 84.5 | Confident | 102 Ų | 102 | 114.7 Ų | 114.7 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.5 | -71.5 | -175.8 | -13.2 | 0 | 0 | 113 | F254 Q255 E261 K262 | F254-Q258 HydrophobicContact CE1-CG 4.36Å; F254-Q258 WeakPolarHBondContact O-CG 3.39Å; F254-Q258 PolarHBondContact O-N 3.13Å; Q255-Q258 PolarHBondContact O-N 3.34Å; Q258-E261 PolarHBondContact O-N 2.91Å; Q258-K262 WeakPolarHBondContact O-CB 3.31Å; Q258-K262 PolarHBondContact O-N 3.29Å |
| 259 | V | 89.4 | Confident | 85.8 | Confident | 78 Ų | 78 | 113.8 Ų | 113.8 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | Q255 L256 Q257 K263 | Q255-V259 WeakPolarHBondContact O-CG2 3.3Å; Q255-V259 PolarHBondContact O-N 2.76Å; Q255-V259 VanDerWaalsContact O-N 3.09Å; L256-V259 PolarHBondContact O-N 2.97Å; Q257-V259 VanDerWaalsContact C-N 3.35Å; Q257-V259 PolarHBondContact O-N 3.4Å; V259-K263 WeakPolarHBondContact O-CG 3.48Å; V259-K263 PolarHBondContact O-N 2.97Å |
| 260 | L | 91.1 | Very high | 86.8 | Confident | 116 Ų | 116 | 111.3 Ų | 111.3 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -41.7 | 177.5 | -70.3 | 173.3 | 0 | 0 | 0 | 112.1 | L256 Q257 K263 R264 | L256-L260 WeakPolarHBondContact O-CG 3.28Å; L256-L260 PolarHBondContact O-N 3.35Å; Q257-L260 PolarHBondContact O-N 3.36Å; L260-K263 PolarHBondContact O-N 2.91Å; L260-R264 PolarHBondContact O-N 2.99Å |
| 261 | E | 87.3 | Confident | 87.7 | Confident | 142 Ų | 142 | 111.5 Ų | 111.5 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 174.2 | -78.5 | -164 | 156.1 | 0 | 0 | 111.8 | Q257 Q258 K263 R264 L265 | Q257-E261 PolarHBondContact O-N 2.88Å; Q258-E261 PolarHBondContact O-N 2.91Å; E261-K263 VanDerWaalsContact C-N 3.33Å; E261-K263 PolarHBondContact O-N 2.94Å; E261-R264 WeakPolarHBondContact O-CB 3.41Å; E261-R264 PolarHBondContact O-N 3.37Å; E261-L265 PolarHBondContact O-N 3.22Å |
| 262 | K | 89.2 | Confident | 88.6 | Confident | 137 Ų | 137 | 115.9 Ų | 115.9 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | 176.7 | -170.3 | 178.9 | 176.9 | -176.5 | 0 | 111.8 | Q258 R264 L265 E266 | Q258-K262 WeakPolarHBondContact O-CB 3.31Å; Q258-K262 PolarHBondContact O-N 3.29Å; K262-R264 VanDerWaalsContact C-N 3.29Å; K262-R264 PolarHBondContact O-N 3.03Å; K262-L265 PolarHBondContact O-N 2.86Å; K262-E266 WeakPolarHBondContact CE-OE1 3.47Å; K262-E266 WeakPolarHBondContact O-CG 3.44Å; K262-E266 PolarHBondContact O-N 3.34Å |
| 263 | K | 89.8 | Confident | 89.2 | Confident | 106 Ų | 106 | 115.8 Ų | 115.8 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -30.6 | 174.6 | -77.1 | -177.3 | 178.2 | -178.4 | 0 | 113.2 | V259 L260 E261 R267 | V259-K263 WeakPolarHBondContact O-CG 3.48Å; V259-K263 PolarHBondContact O-N 2.97Å; L260-K263 PolarHBondContact O-N 2.91Å; E261-K263 VanDerWaalsContact C-N 3.33Å; E261-K263 PolarHBondContact O-N 2.94Å; K263-R267 WeakPolarHBondContact O-CG 3.49Å; K263-R267 PolarHBondContact O-N 3.33Å; K263-R267 PolarHBondContact O-NH1 2.83Å |
| 264 | R | 92.4 | Very high | 89.7 | Confident | 164 Ų | 164 | 115.3 Ų | 115.3 | 62% | 0.619 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.8 | -45.9 | 173.8 | -178.9 | -177.3 | 171.8 | 171.4 | 3.6 | 110.5 | L260 E261 K262 E266 R267 E268 | L260-R264 PolarHBondContact O-N 2.99Å; E261-R264 WeakPolarHBondContact O-CB 3.41Å; E261-R264 PolarHBondContact O-N 3.37Å; K262-R264 VanDerWaalsContact C-N 3.29Å; K262-R264 PolarHBondContact O-N 3.03Å; R264-E266 PolarHBondContact O-N 2.84Å; R264-R267 WeakPolarHBondContact O-CB 3.43Å; R264-R267 PolarHBondContact O-N 3.23Å; R264-R267 VanDerWaalsContact O-N 3.15Å; R264-E268 IonicContact CZ-OE1 2.62Å; R264-E268 IonicContact NE-OE1 2.88Å; R264-E268 PolarHBondContact NE-OE1 3.19Å; R264-E268 VanDerWaalsContact NE-OE1 3.12Å; R264-E268 IonicContact NH2-OE1 3.59Å; R264-E268 PolarHBondContact O-N 3.15Å |
| 265 | L | 91.5 | Very high | 90.2 | Very high | 122 Ų | 122 | 115.3 Ų | 115.3 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -37.5 | -177.6 | -146.9 | 146.7 | 0 | 0 | 0 | 111.9 | E261 K262 E268 R269 | E261-L265 PolarHBondContact O-N 3.22Å; K262-L265 PolarHBondContact O-N 2.86Å; L265-E268 PolarHBondContact O-N 3Å; L265-R269 WeakPolarHBondContact O-CB 3.49Å; L265-R269 PolarHBondContact O-N 3.08Å |
| 266 | E | 91.4 | Very high | 90.6 | Very high | 98 Ų | 98 | 115.6 Ų | 115.6 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 171.3 | -76.5 | 173.9 | -175.8 | 0 | 0 | 112.3 | K262 R264 R269 N270 | K262-E266 WeakPolarHBondContact CE-OE1 3.47Å; K262-E266 WeakPolarHBondContact O-CG 3.44Å; K262-E266 PolarHBondContact O-N 3.34Å; R264-E266 PolarHBondContact O-N 2.84Å; E266-R269 PolarHBondContact O-N 3Å; E266-N270 VanDerWaalsContact O-CG 3.27Å; E266-N270 PolarHBondContact O-N 3.26Å; E266-N270 PolarHBondContact O-OD1 3.17Å |
| 267 | R | 90.2 | Very high | 90.9 | Very high | 155 Ų | 155 | 115.1 Ų | 115.1 | 59% | 0.585 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 175.6 | -72.2 | -178.7 | -170.9 | 109 | -11.1 | 112.4 | K263 R264 R269 N270 Q271 | K263-R267 WeakPolarHBondContact O-CG 3.49Å; K263-R267 PolarHBondContact O-N 3.33Å; K263-R267 PolarHBondContact O-NH1 2.83Å; R264-R267 WeakPolarHBondContact O-CB 3.43Å; R264-R267 PolarHBondContact O-N 3.23Å; R264-R267 VanDerWaalsContact O-N 3.15Å; R267-R269 VanDerWaalsContact C-N 3.28Å; R267-R269 PolarHBondContact O-N 2.93Å; R267-N270 PolarHBondContact O-N 3.03Å; R267-Q271 WeakPolarHBondContact O-CG 3.28Å; R267-Q271 PolarHBondContact O-N 3.21Å |
| 268 | E | 91.7 | Very high | 91.2 | Very high | 65 Ų | 65 | 117.3 Ų | 117.3 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 176.3 | -73.1 | 179.4 | -166.5 | 0 | 0 | 111.3 | R264 L265 R272 | R264-E268 IonicContact CZ-OE1 2.62Å; R264-E268 IonicContact NE-OE1 2.88Å; R264-E268 PolarHBondContact NE-OE1 3.19Å; R264-E268 VanDerWaalsContact NE-OE1 3.12Å; R264-E268 IonicContact NH2-OE1 3.59Å; R264-E268 PolarHBondContact O-N 3.15Å; L265-E268 PolarHBondContact O-N 3Å; E268-R272 WeakPolarHBondContact O-CG 3.46Å; E268-R272 PolarHBondContact O-N 2.82Å; E268-R272 VanDerWaalsContact O-N 3.12Å |
| 269 | R | 90.8 | Very high | 91.7 | Very high | 150 Ų | 150 | 118.3 Ų | 118.3 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.5 | -47.5 | 174 | -177.6 | -177.7 | 159.9 | -173.5 | -9.2 | 111.9 | L265 E266 R267 Q271 R272 E273 | L265-R269 WeakPolarHBondContact O-CB 3.49Å; L265-R269 PolarHBondContact O-N 3.08Å; E266-R269 PolarHBondContact O-N 3Å; R267-R269 VanDerWaalsContact C-N 3.28Å; R267-R269 PolarHBondContact O-N 2.93Å; R269-Q271 VanDerWaalsContact C-N 3.3Å; R269-Q271 PolarHBondContact O-N 3.18Å; R269-R272 WeakPolarHBondContact O-CB 3.34Å; R269-R272 PolarHBondContact O-N 3.09Å; R269-R272 VanDerWaalsContact O-N 3.14Å; R269-E273 IonicContact CZ-OE1 3.47Å; R269-E273 VanDerWaalsContact CZ-OE1 3.29Å; R269-E273 IonicContact NE-OE1 3.51Å; R269-E273 PolarHBondContact NE-OE1 3.15Å; R269-E273 IonicContact NH2-OE1 3.27Å; R269-E273 PolarHBondContact NH2-OE1 3.11Å; R269-E273 PolarHBondContact O-N 3.4Å |
| 270 | N | 92.1 | Very high | 92 | Very high | 84 Ų | 84 | 120 Ų | 120 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 178.7 | -69.3 | 0.8 | 0 | 0 | 0 | 111.6 | E266 R267 R272 E273 E274 | E266-N270 VanDerWaalsContact O-CG 3.27Å; E266-N270 PolarHBondContact O-N 3.26Å; E266-N270 PolarHBondContact O-OD1 3.17Å; R267-N270 PolarHBondContact O-N 3.03Å; N270-R272 VanDerWaalsContact C-N 3.34Å; N270-R272 PolarHBondContact O-N 2.97Å; N270-E273 PolarHBondContact O-N 2.96Å; N270-E274 WeakPolarHBondContact O-CG 3.28Å; N270-E274 PolarHBondContact O-N 3.4Å |
| 271 | Q | 92.2 | Very high | 92.3 | Very high | 114 Ų | 114 | 120.3 Ų | 120.3 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.8 | -74.4 | 175.4 | -9.8 | 0 | 0 | 112.1 | R267 R269 E274 E275 | R267-Q271 WeakPolarHBondContact O-CG 3.28Å; R267-Q271 PolarHBondContact O-N 3.21Å; R269-Q271 VanDerWaalsContact C-N 3.3Å; R269-Q271 PolarHBondContact O-N 3.18Å; Q271-E274 PolarHBondContact O-N 3.38Å; Q271-E275 WeakPolarHBondContact O-CG 3.33Å; Q271-E275 PolarHBondContact O-N 2.86Å |
| 272 | R | 92.1 | Very high | 92.6 | Very high | 153 Ų | 153 | 118.3 Ų | 118.3 | 58% | 0.577 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 175.7 | -70.3 | 173.8 | -171.2 | 163.3 | 7.9 | 112.3 | E268 R269 N270 E275 Q276 | E268-R272 WeakPolarHBondContact O-CG 3.46Å; E268-R272 PolarHBondContact O-N 2.82Å; E268-R272 VanDerWaalsContact O-N 3.12Å; R269-R272 WeakPolarHBondContact O-CB 3.34Å; R269-R272 PolarHBondContact O-N 3.09Å; R269-R272 VanDerWaalsContact O-N 3.14Å; N270-R272 VanDerWaalsContact C-N 3.34Å; N270-R272 PolarHBondContact O-N 2.97Å; R272-E275 PolarHBondContact O-N 3.48Å; R272-Q276 WeakPolarHBondContact O-CB 3.49Å; R272-Q276 VanDerWaalsContact O-CG 3.25Å; R272-Q276 WeakPolarHBondContact O-CG 3.37Å; R272-Q276 PolarHBondContact O-N 3.4Å |
| 273 | E | 92.4 | Very high | 92.9 | Very high | 73 Ų | 73 | 115.2 Ų | 115.2 | 34% | 0.341 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.5 | -72.3 | 177.6 | -176.3 | 0 | 0 | 110.5 | R269 N270 E275 Q276 D277 | R269-E273 IonicContact CZ-OE1 3.47Å; R269-E273 VanDerWaalsContact CZ-OE1 3.29Å; R269-E273 IonicContact NE-OE1 3.51Å; R269-E273 PolarHBondContact NE-OE1 3.15Å; R269-E273 IonicContact NH2-OE1 3.27Å; R269-E273 PolarHBondContact NH2-OE1 3.11Å; R269-E273 PolarHBondContact O-N 3.4Å; N270-E273 PolarHBondContact O-N 2.96Å; E273-E275 PolarHBondContact O-N 3.47Å; E273-Q276 WeakPolarHBondContact O-CB 3.37Å; E273-Q276 PolarHBondContact O-N 3.43Å; E273-D277 PolarHBondContact O-N 2.88Å |
| 274 | E | 94.2 | Very high | 93.1 | Very high | 107 Ų | 107 | 112.6 Ų | 112.6 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.4 | -73.3 | 177.4 | -164.4 | 0 | 0 | 113.2 | N270 Q271 D277 R278 | N270-E274 WeakPolarHBondContact O-CG 3.28Å; N270-E274 PolarHBondContact O-N 3.4Å; Q271-E274 PolarHBondContact O-N 3.38Å; E274-D277 PolarHBondContact O-N 3.31Å; E274-R278 WeakPolarHBondContact O-CG 3.38Å; E274-R278 PolarHBondContact O-N 2.95Å |
| 275 | E | 93.1 | Very high | 93.2 | Very high | 120 Ų | 120 | 113 Ų | 113 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 175.4 | -75.7 | 174.1 | 178.9 | 0 | 0 | 111.6 | Q271 R272 E273 R278 L279 | Q271-E275 WeakPolarHBondContact O-CG 3.33Å; Q271-E275 PolarHBondContact O-N 2.86Å; R272-E275 PolarHBondContact O-N 3.48Å; E273-E275 PolarHBondContact O-N 3.47Å; E275-R278 PolarHBondContact O-N 3.16Å; E275-L279 WeakPolarHBondContact O-CG 3.33Å; E275-L279 PolarHBondContact O-N 3.44Å |
| 276 | Q | 91.6 | Very high | 93.4 | Very high | 119 Ų | 119 | 110 Ų | 110 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 175 | -74.5 | 175.2 | 2.6 | 0 | 0 | 111.4 | R272 E273 R278 L279 L280 | R272-Q276 WeakPolarHBondContact O-CB 3.49Å; R272-Q276 VanDerWaalsContact O-CG 3.25Å; R272-Q276 WeakPolarHBondContact O-CG 3.37Å; R272-Q276 PolarHBondContact O-N 3.4Å; E273-Q276 WeakPolarHBondContact O-CB 3.37Å; E273-Q276 PolarHBondContact O-N 3.43Å; Q276-R278 VanDerWaalsContact C-N 3.32Å; Q276-R278 PolarHBondContact O-N 3.36Å; Q276-L279 PolarHBondContact O-N 3.45Å; Q276-L280 WeakPolarHBondContact O-CG 3.44Å; Q276-L280 PolarHBondContact O-N 3.43Å |
| 277 | D | 94.3 | Very high | 93.6 | Very high | 95 Ų | 95 | 108 Ų | 108 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.2 | -75.8 | -15.9 | 0 | 0 | 0 | 111.8 | E273 E274 L280 L281 | E273-D277 PolarHBondContact O-N 2.88Å; E274-D277 PolarHBondContact O-N 3.31Å; D277-L280 PolarHBondContact O-N 2.94Å; D277-L281 WeakPolarHBondContact O-CB 3.4Å; D277-L281 VanDerWaalsContact O-CG 3.29Å; D277-L281 WeakPolarHBondContact O-CG 3.43Å; D277-L281 PolarHBondContact O-N 3.1Å |
| 278 | R | 95.5 | Very high | 93.9 | Very high | 164 Ų | 164 | 105.3 Ų | 105.3 | 62% | 0.619 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 174.4 | -72.3 | 176.3 | -170.1 | -174.4 | 7 | 111.9 | E274 E275 Q276 L280 L281 D282 | E274-R278 WeakPolarHBondContact O-CG 3.38Å; E274-R278 PolarHBondContact O-N 2.95Å; E275-R278 PolarHBondContact O-N 3.16Å; Q276-R278 VanDerWaalsContact C-N 3.32Å; Q276-R278 PolarHBondContact O-N 3.36Å; R278-L280 VanDerWaalsContact C-N 3.32Å; R278-L280 PolarHBondContact O-N 2.86Å; R278-L281 PolarHBondContact O-N 3.24Å; R278-D282 PolarHBondContact O-N 2.97Å |
| 279 | L | 94.7 | Very high | 94.1 | Very high | 123 Ų | 123 | 106.7 Ų | 106.7 | 64% | 0.644 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 178 | -70.2 | 172.9 | 0 | 0 | 0 | 112 | E275 Q276 S283 | E275-L279 WeakPolarHBondContact O-CG 3.33Å; E275-L279 PolarHBondContact O-N 3.44Å; Q276-L279 PolarHBondContact O-N 3.45Å; L279-S283 VanDerWaalsContact O-CB 3.23Å; L279-S283 WeakPolarHBondContact O-CB 3.37Å; L279-S283 PolarHBondContact O-N 2.96Å |
| 280 | L | 95.4 | Very high | 94.4 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 176 | -73.1 | 172.5 | 0 | 0 | 0 | 111.7 | Q276 D277 R278 S283 A284 | Q276-L280 WeakPolarHBondContact O-CG 3.44Å; Q276-L280 PolarHBondContact O-N 3.43Å; D277-L280 PolarHBondContact O-N 2.94Å; R278-L280 VanDerWaalsContact C-N 3.32Å; R278-L280 PolarHBondContact O-N 2.86Å; L280-S283 PolarHBondContact O-N 2.92Å; L280-A284 WeakPolarHBondContact O-CB 3.28Å; L280-A284 PolarHBondContact O-N 2.66Å |
| 281 | L | 95.8 | Very high | 94.5 | Very high | 121 Ų | 121 | 106.1 Ų | 106.1 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 177.3 | -72.6 | 171.7 | 0 | 0 | 0 | 112.1 | D277 R278 A284 R285 | D277-L281 WeakPolarHBondContact O-CB 3.4Å; D277-L281 VanDerWaalsContact O-CG 3.29Å; D277-L281 WeakPolarHBondContact O-CG 3.43Å; D277-L281 PolarHBondContact O-N 3.1Å; R278-L281 PolarHBondContact O-N 3.24Å; L281-A284 PolarHBondContact O-N 3.26Å; L281-R285 WeakPolarHBondContact O-CB 3.42Å; L281-R285 PolarHBondContact O-N 3.4Å |
| 282 | D | 94.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 108.4 Ų | 108.4 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 177.3 | -76.3 | -22.3 | 0 | 0 | 0 | 111.6 | R278 R285 S286 | R278-D282 PolarHBondContact O-N 2.97Å; D282-R285 PolarHBondContact O-N 3.06Å; D282-S286 WeakPolarHBondContact O-CB 3.39Å; D282-S286 PolarHBondContact O-N 2.86Å |
| 283 | S | 94.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 105.9 Ų | 105.9 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.9 | -50.8 | 172.7 | 176 | 0 | 0 | 0 | 0 | 111.4 | L279 L280 R285 S286 A287 | L279-S283 VanDerWaalsContact O-CB 3.23Å; L279-S283 WeakPolarHBondContact O-CB 3.37Å; L279-S283 PolarHBondContact O-N 2.96Å; L280-S283 PolarHBondContact O-N 2.92Å; S283-R285 VanDerWaalsContact C-N 3.31Å; S283-R285 PolarHBondContact O-N 3.33Å; S283-S286 PolarHBondContact O-N 2.94Å; S283-S286 VanDerWaalsContact O-N 3.13Å; S283-S286 PolarHBondContact O-OG 3.37Å; S283-A287 PolarHBondContact O-N 3.31Å |
| 284 | A | 94.4 | Very high | 95 | Very high | 51 Ų | 51 | 107.9 Ų | 107.9 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L280 L281 A287 L288 | L280-A284 WeakPolarHBondContact O-CB 3.28Å; L280-A284 PolarHBondContact O-N 2.66Å; L281-A284 PolarHBondContact O-N 3.26Å; A284-A287 PolarHBondContact O-N 2.95Å; A284-L288 WeakPolarHBondContact O-CG 3.43Å; A284-L288 PolarHBondContact O-N 3.49Å |
| 285 | R | 95.4 | Very high | 95 | Very high | 174 Ų | 174 | 108.3 Ų | 108.3 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 175.8 | -173.6 | 179.5 | -179 | -174.8 | 0.7 | 111.7 | L281 D282 S283 L288 L289 | L281-R285 WeakPolarHBondContact O-CB 3.42Å; L281-R285 PolarHBondContact O-N 3.4Å; D282-R285 PolarHBondContact O-N 3.06Å; S283-R285 VanDerWaalsContact C-N 3.31Å; S283-R285 PolarHBondContact O-N 3.33Å; R285-L288 PolarHBondContact O-N 3.18Å; R285-L289 WeakPolarHBondContact O-CG 3.4Å; R285-L289 PolarHBondContact O-N 3.37Å; R285-L289 VanDerWaalsContact O-N 3.15Å |
| 286 | S | 94.5 | Very high | 95.1 | Very high | 59 Ų | 59 | 109.3 Ų | 109.3 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 177.9 | 77.8 | 0 | 0 | 0 | 0 | 111.9 | D282 S283 L289 L290 | D282-S286 WeakPolarHBondContact O-CB 3.39Å; D282-S286 PolarHBondContact O-N 2.86Å; S283-S286 PolarHBondContact O-N 2.94Å; S283-S286 VanDerWaalsContact O-N 3.13Å; S283-S286 PolarHBondContact O-OG 3.37Å; S286-L289 PolarHBondContact O-N 2.93Å; S286-L290 WeakPolarHBondContact O-CG 3.29Å; S286-L290 PolarHBondContact O-N 3.19Å |
| 287 | A | 95.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 109.4 Ų | 109.4 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S283 A284 L289 L290 E291 | S283-A287 PolarHBondContact O-N 3.31Å; A284-A287 PolarHBondContact O-N 2.95Å; A287-L289 VanDerWaalsContact C-N 3.29Å; A287-L289 PolarHBondContact O-N 3.38Å; A287-L290 PolarHBondContact O-N 2.96Å; A287-E291 PolarHBondContact O-N 3.3Å |
| 288 | L | 96.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 108.3 Ų | 108.3 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 176.6 | -74.5 | 171.6 | 0 | 0 | 0 | 113 | A284 R285 R292 | A284-L288 WeakPolarHBondContact O-CG 3.43Å; A284-L288 PolarHBondContact O-N 3.49Å; R285-L288 PolarHBondContact O-N 3.18Å; L288-R292 WeakPolarHBondContact O-CG 3.2Å; L288-R292 PolarHBondContact O-N 2.87Å; L288-R292 VanDerWaalsContact O-N 3.11Å |
| 289 | L | 96.6 | Very high | 95.5 | Very high | 95 Ų | 95 | 107 Ų | 107 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 175.9 | -72.4 | 174.5 | 0 | 0 | 0 | 111.6 | R285 S286 A287 R292 L293 | R285-L289 WeakPolarHBondContact O-CG 3.4Å; R285-L289 PolarHBondContact O-N 3.37Å; R285-L289 VanDerWaalsContact O-N 3.15Å; S286-L289 PolarHBondContact O-N 2.93Å; A287-L289 VanDerWaalsContact C-N 3.29Å; A287-L289 PolarHBondContact O-N 3.38Å; L289-R292 PolarHBondContact O-N 3.19Å; L289-L293 WeakPolarHBondContact O-CG 3.28Å; L289-L293 PolarHBondContact O-N 2.93Å |
| 290 | L | 96.1 | Very high | 95.5 | Very high | 118 Ų | 118 | 107.6 Ų | 107.6 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 176.1 | -70.1 | 173.3 | 0 | 0 | 0 | 111.5 | S286 A287 R292 L293 Q294 | S286-L290 WeakPolarHBondContact O-CG 3.29Å; S286-L290 PolarHBondContact O-N 3.19Å; A287-L290 PolarHBondContact O-N 2.96Å; L290-R292 PolarHBondContact O-N 2.9Å; L290-L293 PolarHBondContact O-N 3.01Å; L290-Q294 PolarHBondContact O-N 2.95Å |
| 291 | E | 95.2 | Very high | 95.5 | Very high | 104 Ų | 104 | 107.3 Ų | 107.3 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 176.6 | -171.4 | 175.5 | -162.3 | 0 | 0 | 111.2 | A287 L293 Q294 E295 | A287-E291 PolarHBondContact O-N 3.3Å; E291-L293 VanDerWaalsContact C-N 3.31Å; E291-L293 PolarHBondContact O-N 3.35Å; E291-Q294 WeakPolarHBondContact O-CB 3.43Å; E291-Q294 PolarHBondContact O-N 3.27Å; E291-Q294 VanDerWaalsContact O-N 3.15Å; E291-E295 WeakPolarHBondContact O-CG 3.47Å; E291-E295 PolarHBondContact O-N 2.98Å |
| 292 | R | 96 | Very high | 95.5 | Very high | 162 Ų | 162 | 110.1 Ų | 110.1 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 175.9 | -76.5 | 179.4 | 178.3 | -177.5 | 1.7 | 113.5 | L288 L289 L290 K296 | L288-R292 WeakPolarHBondContact O-CG 3.2Å; L288-R292 PolarHBondContact O-N 2.87Å; L288-R292 VanDerWaalsContact O-N 3.11Å; L289-R292 PolarHBondContact O-N 3.19Å; L290-R292 PolarHBondContact O-N 2.9Å; R292-K296 WeakPolarHBondContact O-CG 3.44Å; R292-K296 PolarHBondContact O-N 2.86Å; R292-K296 VanDerWaalsContact O-N 3.13Å |
| 293 | L | 96.3 | Very high | 95.6 | Very high | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 175.4 | -73.9 | 174 | 0 | 0 | 0 | 110.7 | L289 L290 E291 K296 Q297 | L289-L293 WeakPolarHBondContact O-CG 3.28Å; L289-L293 PolarHBondContact O-N 2.93Å; L290-L293 PolarHBondContact O-N 3.01Å; E291-L293 VanDerWaalsContact C-N 3.31Å; E291-L293 PolarHBondContact O-N 3.35Å; L293-K296 PolarHBondContact O-N 3.34Å; L293-Q297 WeakPolarHBondContact O-CG 3.48Å; L293-Q297 PolarHBondContact O-N 3.43Å |
| 294 | Q | 94.6 | Very high | 95.7 | Very high | 116 Ų | 116 | 114 Ų | 114 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 176.5 | -170.2 | -179.9 | 2.9 | 0 | 0 | 111.6 | L290 E291 K296 Q297 N298 | L290-Q294 PolarHBondContact O-N 2.95Å; E291-Q294 WeakPolarHBondContact O-CB 3.43Å; E291-Q294 PolarHBondContact O-N 3.27Å; E291-Q294 VanDerWaalsContact O-N 3.15Å; Q294-K296 VanDerWaalsContact C-N 3.33Å; Q294-K296 PolarHBondContact O-N 3.46Å; Q294-Q297 PolarHBondContact O-N 2.86Å; Q294-N298 WeakPolarHBondContact O-CB 3.37Å; Q294-N298 VanDerWaalsContact O-CG 3.26Å; Q294-N298 PolarHBondContact O-N 3.42Å; Q294-N298 PolarHBondContact O-ND2 3.42Å |
| 295 | E | 95.1 | Very high | 95.8 | Very high | 116 Ų | 116 | 116.4 Ų | 116.4 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 174.6 | -74.5 | -177.5 | 157.4 | 0 | 0 | 112.3 | E291 N298 K299 | E291-E295 WeakPolarHBondContact O-CG 3.47Å; E291-E295 PolarHBondContact O-N 2.98Å; E295-N298 PolarHBondContact O-N 3.48Å; E295-K299 WeakPolarHBondContact O-CB 3.46Å; E295-K299 PolarHBondContact O-N 2.92Å |
| 296 | K | 95.7 | Very high | 95.8 | Very high | 141 Ų | 141 | 113 Ų | 113 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 176.1 | -76.3 | 176.7 | -179.7 | -179 | 0 | 111.6 | R292 L293 Q294 K299 Q300 | R292-K296 WeakPolarHBondContact O-CG 3.44Å; R292-K296 PolarHBondContact O-N 2.86Å; R292-K296 VanDerWaalsContact O-N 3.13Å; L293-K296 PolarHBondContact O-N 3.34Å; Q294-K296 VanDerWaalsContact C-N 3.33Å; Q294-K296 PolarHBondContact O-N 3.46Å; K296-K299 PolarHBondContact O-N 3.38Å; K296-Q300 WeakPolarHBondContact O-CG 3.35Å; K296-Q300 PolarHBondContact O-N 3.03Å |
| 297 | Q | 95.7 | Very high | 95.9 | Very high | 121 Ų | 121 | 112.9 Ų | 112.9 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -47.2 | 176.3 | -72.6 | 179 | -16.8 | 0 | 0 | 111.3 | L293 Q294 K299 Q300 L301 | L293-Q297 WeakPolarHBondContact O-CG 3.48Å; L293-Q297 PolarHBondContact O-N 3.43Å; Q294-Q297 PolarHBondContact O-N 2.86Å; Q297-K299 VanDerWaalsContact C-N 3.27Å; Q297-K299 PolarHBondContact O-N 3.28Å; Q297-Q300 WeakPolarHBondContact O-CB 3.27Å; Q297-Q300 PolarHBondContact O-N 3.21Å; Q297-L301 WeakPolarHBondContact O-CG 3.3Å; Q297-L301 PolarHBondContact O-N 2.98Å |
| 298 | N | 95.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 112.6 Ų | 112.6 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 176.7 | -74.5 | -18.5 | 0 | 0 | 0 | 112.1 | Q294 E295 L301 R302 | Q294-N298 WeakPolarHBondContact O-CB 3.37Å; Q294-N298 VanDerWaalsContact O-CG 3.26Å; Q294-N298 PolarHBondContact O-N 3.42Å; Q294-N298 PolarHBondContact O-ND2 3.42Å; E295-N298 PolarHBondContact O-N 3.48Å; N298-L301 PolarHBondContact O-N 3.21Å; N298-R302 WeakPolarHBondContact O-CG 3.41Å; N298-R302 PolarHBondContact O-N 2.89Å |
| 299 | K | 96.8 | Very high | 95.9 | Very high | 136 Ų | 136 | 112.3 Ų | 112.3 | 59% | 0.591 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -38.4 | 175.8 | -170.9 | 172.9 | -175 | 172.8 | 0 | 112.1 | E295 K296 Q297 K303 | E295-K299 WeakPolarHBondContact O-CB 3.46Å; E295-K299 PolarHBondContact O-N 2.92Å; K296-K299 PolarHBondContact O-N 3.38Å; Q297-K299 VanDerWaalsContact C-N 3.27Å; Q297-K299 PolarHBondContact O-N 3.28Å; K299-K303 WeakPolarHBondContact O-CG 3.14Å; K299-K303 PolarHBondContact O-N 3.25Å; K299-K303 VanDerWaalsContact O-N 3.11Å |
| 300 | Q | 96.2 | Very high | 95.8 | Very high | 136 Ų | 136 | 110.3 Ų | 110.3 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 174.2 | -72.9 | 176.2 | -20.6 | 0 | 0 | 111.6 | K296 Q297 R302 K303 H304 | K296-Q300 WeakPolarHBondContact O-CG 3.35Å; K296-Q300 PolarHBondContact O-N 3.03Å; Q297-Q300 WeakPolarHBondContact O-CB 3.27Å; Q297-Q300 PolarHBondContact O-N 3.21Å; Q300-R302 PolarHBondContact O-N 2.9Å; Q300-K303 PolarHBondContact O-N 3.18Å; Q300-H304 PolarHBondContact O-N 2.82Å |
| 301 | L | 95.4 | Very high | 95.7 | Very high | 108 Ų | 108 | 110.2 Ų | 110.2 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 176.7 | -70.1 | 173.5 | 0 | 0 | 0 | 112 | Q297 N298 H304 L305 | Q297-L301 WeakPolarHBondContact O-CG 3.3Å; Q297-L301 PolarHBondContact O-N 2.98Å; N298-L301 PolarHBondContact O-N 3.21Å; L301-H304 PolarHBondContact O-N 3.44Å; L301-L305 WeakPolarHBondContact O-CG 3.11Å; L301-L305 PolarHBondContact O-N 3.34Å |
| 302 | R | 96 | Very high | 95.6 | Very high | 180 Ų | 180 | 109.5 Ų | 109.5 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.7 | -48.5 | 175.3 | -76.7 | 178.3 | -179 | -167.3 | 0.8 | 111.8 | N298 Q300 H304 L305 D306 | N298-R302 WeakPolarHBondContact O-CG 3.41Å; N298-R302 PolarHBondContact O-N 2.89Å; Q300-R302 PolarHBondContact O-N 2.9Å; R302-H304 VanDerWaalsContact C-N 3.27Å; R302-H304 PolarHBondContact O-N 2.84Å; R302-L305 PolarHBondContact O-N 3.43Å; R302-D306 WeakPolarHBondContact O-CB 3.46Å; R302-D306 PolarHBondContact O-N 3.04Å |
| 303 | K | 96.4 | Very high | 95.4 | Very high | 134 Ų | 134 | 104.6 Ų | 104.6 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.3 | -41.2 | 175.9 | -74.6 | 179.2 | 175.4 | -167.3 | 0 | 112.5 | K299 Q300 S307 | K299-K303 WeakPolarHBondContact O-CG 3.14Å; K299-K303 PolarHBondContact O-N 3.25Å; K299-K303 VanDerWaalsContact O-N 3.11Å; Q300-K303 PolarHBondContact O-N 3.18Å; K303-S307 WeakPolarHBondContact O-CB 3.49Å; K303-S307 PolarHBondContact O-N 2.98Å |
| 304 | H | 96.5 | Very high | 95.1 | Very high | 120 Ų | 120 | 105.8 Ų | 105.8 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -48.6 | 176.7 | -175.9 | -80.2 | 0 | 0 | 0 | 111.1 | Q300 L301 R302 D306 S307 V308 | Q300-H304 PolarHBondContact O-N 2.82Å; L301-H304 PolarHBondContact O-N 3.44Å; R302-H304 VanDerWaalsContact C-N 3.27Å; R302-H304 PolarHBondContact O-N 2.84Å; H304-D306 VanDerWaalsContact C-N 3.34Å; H304-D306 PolarHBondContact O-N 2.81Å; H304-S307 PolarHBondContact O-N 3.45Å; H304-S307 PolarHBondContact O-OG 3.03Å; H304-V308 WeakPolarHBondContact O-CG2 3.4Å; H304-V308 PolarHBondContact O-N 3.04Å |
| 305 | L | 95.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 103.7 Ų | 103.7 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 176.2 | -73.1 | 172.9 | 0 | 0 | 0 | 112.2 | L301 R302 S307 V308 N309 | L301-L305 WeakPolarHBondContact O-CG 3.11Å; L301-L305 PolarHBondContact O-N 3.34Å; R302-L305 PolarHBondContact O-N 3.43Å; L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 2.83Å; L305-V308 PolarHBondContact O-N 3.31Å; L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 VanDerWaalsContact O-CG 3.22Å; L305-N309 PolarHBondContact O-N 3.42Å; L305-N309 PolarHBondContact O-ND2 3.43Å |
| 306 | D | 95.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 107.1 Ų | 107.1 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.2 | -40.6 | 177.6 | -65.6 | -23.4 | 0 | 0 | 0 | 111.1 | R302 H304 N309 A310 | R302-D306 WeakPolarHBondContact O-CB 3.46Å; R302-D306 PolarHBondContact O-N 3.04Å; H304-D306 VanDerWaalsContact C-N 3.34Å; H304-D306 PolarHBondContact O-N 2.81Å; D306-N309 PolarHBondContact O-N 2.7Å; D306-A310 WeakPolarHBondContact O-CB 3.4Å; D306-A310 PolarHBondContact O-N 3.3Å |
| 307 | S | 96.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 106.3 Ų | 106.3 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.6 | 75.3 | 0 | 0 | 0 | 0 | 112.7 | K303 H304 L305 A310 Q311 | K303-S307 WeakPolarHBondContact O-CB 3.49Å; K303-S307 PolarHBondContact O-N 2.98Å; H304-S307 PolarHBondContact O-N 3.45Å; H304-S307 PolarHBondContact O-OG 3.03Å; L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 2.83Å; S307-A310 PolarHBondContact O-N 2.95Å; S307-Q311 WeakPolarHBondContact O-CG 3.46Å; S307-Q311 PolarHBondContact O-N 2.7Å |
| 308 | V | 95.6 | Very high | 93 | Very high | 47 Ų | 47 | 108.2 Ų | 108.2 | 29% | 0.285 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 177.5 | 172 | 0 | 0 | 0 | 0 | 110.5 | H304 L305 A310 Q311 L312 | H304-V308 WeakPolarHBondContact O-CG2 3.4Å; H304-V308 PolarHBondContact O-N 3.04Å; L305-V308 PolarHBondContact O-N 3.31Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 2.71Å; V308-Q311 PolarHBondContact O-N 3.42Å; V308-L312 HydrophobicContact CG1-CD1 3.94Å; V308-L312 HydrophobicContact CG1-CG 4.34Å; V308-L312 WeakPolarHBondContact O-CB 3.22Å; V308-L312 WeakPolarHBondContact O-CG 3.23Å; V308-L312 PolarHBondContact O-N 3.45Å |
| 309 | N | 95.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 111.3 Ų | 111.3 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.3 | -73.8 | -20.1 | 0 | 0 | 0 | 111.7 | L305 D306 L312 A313 | L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 VanDerWaalsContact O-CG 3.22Å; L305-N309 PolarHBondContact O-N 3.42Å; L305-N309 PolarHBondContact O-ND2 3.43Å; D306-N309 PolarHBondContact O-N 2.7Å; N309-L312 PolarHBondContact O-N 3.37Å; N309-A313 VanDerWaalsContact O-CB 3.32Å; N309-A313 WeakPolarHBondContact O-CB 3.42Å; N309-A313 PolarHBondContact O-N 3.26Å |
| 310 | A | 95.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 113.8 Ų | 113.8 | 44% | 0.438 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D306 S307 V308 A313 Q314 | D306-A310 WeakPolarHBondContact O-CB 3.4Å; D306-A310 PolarHBondContact O-N 3.3Å; S307-A310 PolarHBondContact O-N 2.95Å; V308-A310 VanDerWaalsContact C-N 3.31Å; V308-A310 PolarHBondContact O-N 2.71Å; A310-A313 PolarHBondContact O-N 2.82Å; A310-Q314 WeakPolarHBondContact O-CG 3.27Å; A310-Q314 PolarHBondContact O-N 2.74Å |
| 311 | Q | 94.9 | Very high | 89.6 | Confident | 117 Ų | 117 | 112.2 Ų | 112.2 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -47.2 | 175.1 | -71.4 | 174.1 | 0.2 | 0 | 0 | 111.7 | S307 V308 A313 Q314 I315 | S307-Q311 WeakPolarHBondContact O-CG 3.46Å; S307-Q311 PolarHBondContact O-N 2.7Å; V308-Q311 PolarHBondContact O-N 3.42Å; Q311-A313 VanDerWaalsContact C-N 3.31Å; Q311-A313 PolarHBondContact O-N 3.12Å; Q311-Q314 WeakPolarHBondContact O-CB 3.32Å; Q311-Q314 PolarHBondContact O-N 2.81Å; Q311-I315 WeakPolarHBondContact O-CG1 3.09Å; Q311-I315 PolarHBondContact O-N 3.38Å |
| 312 | L | 92.1 | Very high | 88.1 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.7 | -38 | 177.4 | -72.5 | 173.2 | 0 | 0 | 0 | 112.4 | V308 N309 I315 R316 | V308-L312 HydrophobicContact CG1-CD1 3.94Å; V308-L312 HydrophobicContact CG1-CG 4.34Å; V308-L312 WeakPolarHBondContact O-CB 3.22Å; V308-L312 WeakPolarHBondContact O-CG 3.23Å; V308-L312 PolarHBondContact O-N 3.45Å; N309-L312 PolarHBondContact O-N 3.37Å; L312-I315 PolarHBondContact O-N 3.24Å; L312-R316 WeakPolarHBondContact O-CB 3.47Å; L312-R316 WeakPolarHBondContact O-CG 3.36Å; L312-R316 PolarHBondContact O-N 3.45Å |
| 313 | A | 91.2 | Very high | 86.5 | Confident | 59 Ų | 59 | 113.1 Ų | 113.1 | 49% | 0.488 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.9 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N309 A310 Q311 R316 L317 | N309-A313 VanDerWaalsContact O-CB 3.32Å; N309-A313 WeakPolarHBondContact O-CB 3.42Å; N309-A313 PolarHBondContact O-N 3.26Å; A310-A313 PolarHBondContact O-N 2.82Å; Q311-A313 VanDerWaalsContact C-N 3.31Å; Q311-A313 PolarHBondContact O-N 3.12Å; A313-R316 PolarHBondContact O-N 3.19Å; A313-L317 WeakPolarHBondContact O-CB 3.29Å; A313-L317 PolarHBondContact O-N 2.84Å |
| 314 | Q | 90.5 | Very high | 85 | Confident | 124 Ų | 124 | 115.4 Ų | 115.4 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.2 | -44.2 | 174.1 | -72.8 | 179.7 | -2.2 | 0 | 0 | 111.8 | A310 Q311 R316 L317 Q318 | A310-Q314 WeakPolarHBondContact O-CG 3.27Å; A310-Q314 PolarHBondContact O-N 2.74Å; Q311-Q314 WeakPolarHBondContact O-CB 3.32Å; Q311-Q314 PolarHBondContact O-N 2.81Å; Q314-R316 PolarHBondContact O-N 2.87Å; Q314-L317 WeakPolarHBondContact O-CB 3.37Å; Q314-L317 PolarHBondContact O-N 3.47Å; Q314-Q318 WeakPolarHBondContact O-CG 3.43Å; Q314-Q318 PolarHBondContact O-N 3.42Å |
| 315 | I | 89.3 | Confident | 83.6 | Confident | 72 Ų | 72 | 121 Ų | 121 | 37% | 0.369 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -58.6 | -49.7 | 176.1 | -69.3 | 165.5 | 0 | 0 | 0 | 110 | Q311 L312 L317 Q318 E319 | Q311-I315 WeakPolarHBondContact O-CG1 3.09Å; Q311-I315 PolarHBondContact O-N 3.38Å; L312-I315 PolarHBondContact O-N 3.24Å; I315-L317 VanDerWaalsContact C-N 3.25Å; I315-L317 PolarHBondContact O-N 3.17Å; I315-Q318 CarbonylContact O-C 3.6Å; I315-Q318 PolarHBondContact O-N 2.99Å; I315-E319 VanDerWaalsContact CG2-CD 3.47Å; I315-E319 HydrophobicContact CG2-CG 4Å; I315-E319 WeakPolarHBondContact CG2-OE1 3.25Å; I315-E319 WeakPolarHBondContact O-CB 3.41Å; I315-E319 WeakPolarHBondContact O-CG 3.34Å; I315-E319 PolarHBondContact O-N 3.39Å |
| 316 | R | 83.7 | Confident | 82.1 | Confident | 188 Ų | 188 | 119.8 Ų | 119.8 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.8 | -35 | 177 | -76.6 | -178.1 | 178.2 | -178.1 | 0.9 | 113.3 | L312 A313 Q314 R320 | L312-R316 WeakPolarHBondContact O-CB 3.47Å; L312-R316 WeakPolarHBondContact O-CG 3.36Å; L312-R316 PolarHBondContact O-N 3.45Å; A313-R316 PolarHBondContact O-N 3.19Å; Q314-R316 PolarHBondContact O-N 2.87Å; R316-R320 WeakPolarHBondContact O-CG 3.47Å; R316-R320 PolarHBondContact O-N 3.31Å; R316-R320 VanDerWaalsContact O-N 3.15Å |
| 317 | L | 83.3 | Confident | 80.8 | Confident | 125 Ų | 125 | 125.9 Ų | 125.9 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.7 | -38.7 | 176.5 | -173.3 | 68.3 | 0 | 0 | 0 | 111.4 | A313 Q314 I315 | A313-L317 WeakPolarHBondContact O-CB 3.29Å; A313-L317 PolarHBondContact O-N 2.84Å; Q314-L317 WeakPolarHBondContact O-CB 3.37Å; Q314-L317 PolarHBondContact O-N 3.47Å; I315-L317 VanDerWaalsContact C-N 3.25Å; I315-L317 PolarHBondContact O-N 3.17Å |
| 318 | Q | 80.8 | Confident | 79.9 | Confident | 160 Ų | 160 | 128.3 Ų | 128.3 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.4 | -36.4 | 176.3 | -69.3 | 176.9 | 3.1 | 0 | 0 | 112.7 | Q314 I315 R320 | Q314-Q318 WeakPolarHBondContact O-CG 3.43Å; Q314-Q318 PolarHBondContact O-N 3.42Å; I315-Q318 CarbonylContact O-C 3.6Å; I315-Q318 PolarHBondContact O-N 2.99Å; Q318-R320 VanDerWaalsContact C-N 3.28Å; Q318-R320 PolarHBondContact O-N 2.82Å |
| 319 | E | 78.4 | Confident | 79.3 | Confident | 137 Ų | 137 | 131.4 Ų | 131.4 | 64% | 0.64 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.4 | -11.6 | 178.8 | -74.4 | -179.2 | 169.2 | 0 | 0 | 113.2 | I315 P321 | I315-E319 VanDerWaalsContact CG2-CD 3.47Å; I315-E319 HydrophobicContact CG2-CG 4Å; I315-E319 WeakPolarHBondContact CG2-OE1 3.25Å; I315-E319 WeakPolarHBondContact O-CB 3.41Å; I315-E319 WeakPolarHBondContact O-CG 3.34Å; I315-E319 PolarHBondContact O-N 3.39Å; E319-P321 WeakPolarHBondContact O-CD 3.38Å |
| 320 | R | 70.1 | Confident | 78.6 | Confident | 189 Ų | 189 | 133.3 Ų | 133.3 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -58.1 | 110.6 | 170.3 | -88.5 | -174.4 | 175.1 | -168 | -1.8 | 107.1 | R316 Q318 D322 | R316-R320 WeakPolarHBondContact O-CG 3.47Å; R316-R320 PolarHBondContact O-N 3.31Å; R316-R320 VanDerWaalsContact O-N 3.15Å; Q318-R320 VanDerWaalsContact C-N 3.28Å; Q318-R320 PolarHBondContact O-N 2.82Å; R320-D322 PolarHBondContact O-N 2.88Å; R320-D322 VanDerWaalsContact O-N 3.16Å |
| 321 | P | 68.3 | Low | 77.9 | Confident | 103 Ų | 103 | 134.5 Ų | 134.5 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | trans | -62.1 | 128.5 | 179.4 | 25.8 | -31.5 | 0 | 0 | 0 | 106.7 | E319 L323 | E319-P321 WeakPolarHBondContact O-CD 3.38Å; P321-L323 VanDerWaalsContact C-N 3.25Å; P321-L323 PolarHBondContact O-N 3.47Å | ||
| 322 | D | 64.3 | Low | 77.4 | Confident | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | trans | -53.1 | 104.3 | 156.7 | -78.2 | -27.1 | 0 | 0 | 0 | 105 | R320 K324 | R320-D322 PolarHBondContact O-N 2.88Å; R320-D322 VanDerWaalsContact O-N 3.16Å; D322-K324 HydrophobicContact CB-CG 4.35Å; D322-K324 PolarHBondContact O-N 3.33Å | ||
| 323 | L | 62.5 | Low | 77 | Confident | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | trans | -64 | 80.2 | 168.5 | -77.9 | 163.5 | 0 | 0 | 0 | 105.6 | P321 R325 | P321-L323 VanDerWaalsContact C-N 3.25Å; P321-L323 PolarHBondContact O-N 3.47Å; L323-R325 PolarHBondContact O-N 3.43Å | ||
| 324 | K | 64.9 | Low | 76.5 | Confident | 181 Ų | 181 | 135 Ų | 135 | 79% | 0.787 | 66% | 0.661 | S | S | * | * | trans | -57.5 | 118.8 | 176.5 | -72.9 | -177.9 | -177.7 | 176.3 | 0 | 105.1 | D322 G326 | D322-K324 HydrophobicContact CB-CG 4.35Å; D322-K324 PolarHBondContact O-N 3.33Å; K324-G326 PolarHBondContact O-N 2.9Å; K324-G326 VanDerWaalsContact O-N 3.08Å | ||
| 325 | R | 66.3 | Low | 76.1 | Confident | 239 Ų | 239 | 135.2 Ų | 135.2 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | trans | -38.6 | 119 | 172.8 | -158.8 | 173.9 | -171.8 | 179.2 | 1.5 | 107.8 | L323 R327 | L323-R325 PolarHBondContact O-N 3.43Å; R325-R327 PolarHBondContact O-N 2.79Å | ||
| 326 | G | 63.7 | Low | 75.6 | Confident | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 124 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K324 | K324-G326 PolarHBondContact O-N 2.9Å; K324-G326 VanDerWaalsContact O-N 3.08Å |
| 327 | R | 69.9 | Low | 75.1 | Confident | 233 Ų | 233 | 136.6 Ų | 136.6 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 128.6 | 169.9 | -80.1 | -170.6 | 176 | -135 | 0.7 | 107.6 | R325 D329 | R325-R327 PolarHBondContact O-N 2.79Å; R327-D329 PolarHBondContact O-N 3.31Å |
| 328 | I | 78.3 | Confident | 74.7 | Confident | 106 Ų | 106 | 135.6 Ų | 135.6 | 54% | 0.544 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 116.7 | 167.8 | -60.4 | 174.7 | 0 | 0 | 0 | 105.5 | F332 F333 | I328-F332 HydrophobicContact CG2-CB 3.64Å; I328-F332 HydrophobicContact CG2-CD1 3.34Å; I328-F332 HydrophobicContact CG2-CE1 4.13Å; I328-F332 HydrophobicContact CG2-CG 3.62Å; I328-F333 HydrophobicContact CB-CE2 4.37Å; I328-F333 HydrophobicContact CG2-CD2 4.42Å; I328-F333 HydrophobicContact CG2-CE2 3.67Å; I328-F333 HydrophobicContact CG2-CZ 3.82Å |
| 329 | D | 82.1 | Confident | 74.2 | Confident | 112 Ų | 112 | 133 Ų | 133 | 60% | 0.599 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 149 | 177.5 | -82.7 | -23.7 | 0 | 0 | 0 | 110.9 | R327 S331 F332 | R327-D329 PolarHBondContact O-N 3.31Å; D329-S331 PolarHBondContact O-N 3.41Å; D329-F332 WeakPolarHBondContact O-CB 3.32Å; D329-F332 PolarHBondContact O-N 3.23Å |
| 330 | D | 79.8 | Confident | 73.6 | Confident | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.9 | -20.8 | 179.9 | -66.6 | -26.1 | 0 | 0 | 0 | 113.1 | F332 F333 A334 | D330-F332 PolarHBondContact O-N 2.85Å; D330-F333 PolarHBondContact O-N 3.23Å; D330-F333 VanDerWaalsContact O-N 3.14Å; D330-A334 PolarHBondContact O-N 3.15Å; D330-A334 VanDerWaalsContact O-N 3.07Å |
| 331 | S | 82.8 | Confident | 73 | Confident | 77 Ų | 77 | 139.6 Ų | 139.6 | 54% | 0.538 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -60.4 | -29 | 170.5 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | D329 Q335 | D329-S331 PolarHBondContact O-N 3.41Å; S331-Q335 WeakPolarHBondContact O-CG 3.16Å |
| 332 | F | 83.6 | Confident | 73.2 | Confident | 91 Ų | 91 | 141.5 Ų | 141.5 | 40% | 0.399 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -65.5 | -44.3 | 173.4 | 176.1 | -99.3 | 0 | 0 | 0 | 110.9 | I328 D329 D330 A334 Q335 F336 | I328-F332 HydrophobicContact CG2-CB 3.64Å; I328-F332 HydrophobicContact CG2-CD1 3.34Å; I328-F332 HydrophobicContact CG2-CE1 4.13Å; I328-F332 HydrophobicContact CG2-CG 3.62Å; D329-F332 WeakPolarHBondContact O-CB 3.32Å; D329-F332 PolarHBondContact O-N 3.23Å; D330-F332 PolarHBondContact O-N 2.85Å; F332-A334 VanDerWaalsContact C-N 3.34Å; F332-Q335 WeakPolarHBondContact O-CB 2.96Å; F332-Q335 PolarHBondContact O-N 3.07Å; F332-F336 HydrophobicContact CD1-CE2 4.1Å; F332-F336 AromaticContact CE1-CE2 3.75Å; F332-F336 HydrophobicContact CE1-CE2 3.75Å; F332-F336 HydrophobicContact CE1-CZ 4.27Å; F332-F336 HydrophobicContact CE2-CE2 4.26Å; F332-F336 HydrophobicContact CE2-CZ 4.47Å; F332-F336 AromaticContact CZ-CE2 3.84Å; F332-F336 HydrophobicContact CZ-CE2 3.84Å; F332-F336 AromaticContact CZ-CZ 3.99Å; F332-F336 HydrophobicContact CZ-CZ 3.99Å; F332-F336 VanDerWaalsContact O-CD2 3.23Å; F332-F336 WeakPolarHBondContact O-CD2 3.39Å; F332-F336 VanDerWaalsContact O-CE2 3.28Å; F332-F336 WeakPolarHBondContact O-CE2 3.16Å |
| 333 | F | 83.4 | Confident | 73.7 | Confident | 116 Ų | 116 | 141.5 Ų | 141.5 | 51% | 0.509 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -71.6 | -30.8 | 179.7 | -62.4 | -69 | 0 | 0 | 0 | 112.3 | I328 D330 Q335 F336 | I328-F333 HydrophobicContact CB-CE2 4.37Å; I328-F333 HydrophobicContact CG2-CD2 4.42Å; I328-F333 HydrophobicContact CG2-CE2 3.67Å; I328-F333 HydrophobicContact CG2-CZ 3.82Å; D330-F333 PolarHBondContact O-N 3.23Å; D330-F333 VanDerWaalsContact O-N 3.14Å; F333-Q335 PolarHBondContact O-N 2.78Å; F333-F336 PolarHBondContact O-N 3.01Å |
| 334 | A | 80.8 | Confident | 74.3 | Confident | 67 Ų | 67 | 140.1 Ų | 140.1 | 55% | 0.554 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -12.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D330 F332 F336 T338 | D330-A334 PolarHBondContact O-N 3.15Å; D330-A334 VanDerWaalsContact O-N 3.07Å; F332-A334 VanDerWaalsContact C-N 3.34Å; A334-F336 VanDerWaalsContact C-N 3.29Å; A334-T338 WeakPolarHBondContact O-CG2 3.36Å |
| 335 | Q | 81.8 | Confident | 74.9 | Confident | 130 Ų | 130 | 137.7 Ų | 137.7 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -21.3 | 174.1 | -68.7 | 170.3 | 14.7 | 0 | 0 | 112.4 | S331 F332 F333 T338 | S331-Q335 WeakPolarHBondContact O-CG 3.16Å; F332-Q335 WeakPolarHBondContact O-CB 2.96Å; F332-Q335 PolarHBondContact O-N 3.07Å; F333-Q335 PolarHBondContact O-N 2.78Å; Q335-T338 PolarHBondContact O-OG1 2.85Å |
| 336 | F | 79.3 | Confident | 75.4 | Confident | 120 Ų | 120 | 131.4 Ų | 131.4 | 53% | 0.526 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | 142.7 | 179.8 | -61.1 | -87.8 | 0 | 0 | 0 | 110.4 | F332 F333 A334 T338 | F332-F336 HydrophobicContact CD1-CE2 4.1Å; F332-F336 AromaticContact CE1-CE2 3.75Å; F332-F336 HydrophobicContact CE1-CE2 3.75Å; F332-F336 HydrophobicContact CE1-CZ 4.27Å; F332-F336 HydrophobicContact CE2-CE2 4.26Å; F332-F336 HydrophobicContact CE2-CZ 4.47Å; F332-F336 AromaticContact CZ-CE2 3.84Å; F332-F336 HydrophobicContact CZ-CE2 3.84Å; F332-F336 AromaticContact CZ-CZ 3.99Å; F332-F336 HydrophobicContact CZ-CZ 3.99Å; F332-F336 VanDerWaalsContact O-CD2 3.23Å; F332-F336 WeakPolarHBondContact O-CD2 3.39Å; F332-F336 VanDerWaalsContact O-CE2 3.28Å; F332-F336 WeakPolarHBondContact O-CE2 3.16Å; F333-F336 PolarHBondContact O-N 3.01Å; A334-F336 VanDerWaalsContact C-N 3.29Å; F336-T338 VanDerWaalsContact C-N 3.33Å; F336-T338 PolarHBondContact O-N 2.92Å |
| 337 | N | 72.3 | Confident | 76.2 | Confident | 168 Ų | 168 | 135.3 Ų | 135.3 | 90% | 0.898 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65 | 23.1 | -179.8 | -51.8 | -32.5 | 0 | 0 | 0 | 116.3 | C339 | N337-C339 VanDerWaalsContact C-N 3.33Š|
| 338 | T | 75.8 | Confident | 76.6 | Confident | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 67% | 0.669 | S | S | * | * | trans | -77.5 | -14.5 | 178.2 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | A334 Q335 F336 | A334-T338 WeakPolarHBondContact O-CG2 3.36Å; Q335-T338 PolarHBondContact O-OG1 2.85Å; F336-T338 VanDerWaalsContact C-N 3.33Å; F336-T338 PolarHBondContact O-N 2.92Å | ||
| 339 | C | 69.3 | Low | 76.5 | Confident | 107 Ų | 107 | 130 Ų | 130 | 72% | 0.723 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -118.6 | 125.6 | 178.8 | -67.6 | 0 | 0 | 0 | 0 | 110 | N337 R341 | N337-C339 VanDerWaalsContact C-N 3.33Å; C339-R341 PolarHBondContact O-N 2.7Å; C339-R341 VanDerWaalsContact O-N 3.15Å |
| 340 | T | 67.1 | Low | 76 | Confident | 154 Ų | 154 | 131.5 Ų | 131.5 | 95% | 0.945 | 69% | 0.685 | S | S | * | * | trans | -75.6 | 98.5 | 169.5 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 341 | R | 56.6 | Low | 75.7 | Confident | 310 Ų | 310 | 131.3 Ų | 131.3 | 100% | 1.17 | 68% | 0.683 | S | S | * | * | trans | -104.7 | 0 | 168.5 | -157.4 | -177.3 | -170.5 | -163.5 | 2.9 | 110.3 | C339 | C339-R341 PolarHBondContact O-N 2.7Å; C339-R341 VanDerWaalsContact O-N 3.15Å |
Retrieved 341 of 341 residues in 51.6 ms
(Link to these results)