| 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 | 39.7 | Very low | 52.8 | Low | 235 Ų | 235 | 119.9 Ų | 119.9 | 100% | 1.158 | 71% | 0.712 | S | S | * | * | 0 | 107.8 | 0 | -117 | 169.8 | 154.8 | 0 | 0 | 106.2 | |||||
| 2 | V | 41.1 | Very low | 53.9 | Low | 137 Ų | 137 | 126.5 Ų | 126.5 | 83% | 0.83 | 72% | 0.716 | S | S | * | * | trans | -84.3 | 118 | 171.3 | 175.7 | 0 | 0 | 0 | 0 | 106.5 | S4 | V2-S4 PolarHBondContact O-N 2.92Š| ||
| 3 | V | 49.2 | Very low | 54.7 | Low | 133 Ų | 133 | 120.6 Ų | 120.6 | 81% | 0.806 | 69% | 0.692 | S | S | * | * | trans | -82.3 | 97.3 | 172.7 | 178.5 | 0 | 0 | 0 | 0 | 106.7 | A5 | V3-A5 PolarHBondContact O-N 3.34Š| ||
| 4 | S | 49.3 | Very low | 55.4 | Low | 96 Ų | 96 | 119.5 Ų | 119.5 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.9 | 169.7 | -52 | 0 | 0 | 0 | 0 | 108.6 | V2 D6 | V2-S4 PolarHBondContact O-N 2.92Å; S4-D6 PolarHBondContact O-N 3.35Å |
| 5 | A | 57.9 | Low | 56.5 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V3 P7 | V3-A5 PolarHBondContact O-N 3.34Å; A5-P7 VanDerWaalsContact O-CD 3.25Å; A5-P7 WeakPolarHBondContact O-CD 3.34Å |
| 6 | D | 56 | Low | 58 | Low | 123 Ų | 123 | 118.7 Ų | 118.7 | 66% | 0.658 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.4 | -175.9 | -79.4 | -48.6 | 0 | 0 | 0 | 111.6 | S4 L8 S9 | S4-D6 PolarHBondContact O-N 3.35Å; D6-L8 PolarHBondContact O-N 3.19Å; D6-L8 VanDerWaalsContact O-N 3.12Å; D6-S9 WeakPolarHBondContact O-CB 3.01Å; D6-S9 PolarHBondContact O-N 3.28Å |
| 7 | P | 57.1 | Low | 59.7 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -58.2 | -29.9 | 178.5 | -24.7 | 35 | 0 | 0 | 0 | 112.9 | A5 S9 S10 E11 | A5-P7 VanDerWaalsContact O-CD 3.25Å; A5-P7 WeakPolarHBondContact O-CD 3.34Å; P7-S9 PolarHBondContact O-N 3.41Å; P7-S9 VanDerWaalsContact O-N 3.1Å; P7-S10 PolarHBondContact O-N 3.3Å; P7-S10 VanDerWaalsContact O-N 3.1Å; P7-E11 PolarHBondContact O-N 3.4Å |
| 8 | L | 52.8 | Low | 61.2 | Low | 121 Ų | 121 | 117.7 Ų | 117.7 | 63% | 0.634 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -60.4 | -18.6 | 178.7 | -59.2 | 175.2 | 0 | 0 | 0 | 113.8 | D6 R12 | D6-L8 PolarHBondContact O-N 3.19Å; D6-L8 VanDerWaalsContact O-N 3.12Å; L8-R12 VanDerWaalsContact O-CB 3.24Å; L8-R12 WeakPolarHBondContact O-CB 3.05Å; L8-R12 PolarHBondContact O-N 3Å |
| 9 | S | 58.9 | Low | 62.6 | Low | 88 Ų | 88 | 118.7 Ų | 118.7 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.7 | -42.6 | 175 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | D6 P7 A13 | D6-S9 WeakPolarHBondContact O-CB 3.01Å; D6-S9 PolarHBondContact O-N 3.28Å; P7-S9 PolarHBondContact O-N 3.41Å; P7-S9 VanDerWaalsContact O-N 3.1Å; S9-A13 PolarHBondContact O-N 3.01Å; S9-A13 VanDerWaalsContact O-N 3.11Å |
| 10 | S | 57.7 | Low | 64 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 46% | 0.462 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.4 | -50.1 | 177.3 | -159.3 | 0 | 0 | 0 | 0 | 110.5 | P7 R12 A13 E14 | P7-S10 PolarHBondContact O-N 3.3Å; P7-S10 VanDerWaalsContact O-N 3.1Å; S10-R12 VanDerWaalsContact C-N 3.29Å; S10-R12 PolarHBondContact O-N 3.31Å; S10-A13 CarbonylContact O-C 3.6Å; S10-A13 WeakPolarHBondContact O-CA 3.45Å; S10-A13 WeakPolarHBondContact O-CB 3.49Å; S10-A13 PolarHBondContact O-N 2.83Å; S10-E14 WeakPolarHBondContact CB-OE1 3.29Å; S10-E14 WeakPolarHBondContact O-CG 3.16Å; S10-E14 PolarHBondContact O-N 3.3Å; S10-E14 PolarHBondContact OG-OE1 3.39Å |
| 11 | E | 61.9 | Low | 65.2 | Low | 129 Ų | 129 | 115 Ų | 115 | 60% | 0.603 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.8 | -37.1 | -178.8 | -168.9 | 171.2 | -165.7 | 0 | 0 | 112.1 | P7 E14 M15 | P7-E11 PolarHBondContact O-N 3.4Å; E11-E14 PolarHBondContact O-N 3.3Å; E11-M15 VanDerWaalsContact O-CB 3.3Å; E11-M15 WeakPolarHBondContact O-CB 3.39Å; E11-M15 PolarHBondContact O-N 3.01Å |
| 12 | R | 65.3 | Low | 67.8 | Low | 199 Ų | 199 | 110.7 Ų | 110.7 | 75% | 0.751 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -37.3 | 172.5 | -178.7 | 176.8 | -67.8 | -157.4 | -2 | 113 | L8 S10 N16 | L8-R12 VanDerWaalsContact O-CB 3.24Å; L8-R12 WeakPolarHBondContact O-CB 3.05Å; L8-R12 PolarHBondContact O-N 3Å; S10-R12 VanDerWaalsContact C-N 3.29Å; S10-R12 PolarHBondContact O-N 3.31Å; R12-N16 WeakPolarHBondContact O-CB 3.46Å; R12-N16 PolarHBondContact O-N 3.39Å |
| 13 | A | 64 | Low | 70.3 | Confident | 50 Ų | 50 | 108.8 Ų | 108.8 | 41% | 0.413 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.9 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S9 S10 N16 I17 | S9-A13 PolarHBondContact O-N 3.01Å; S9-A13 VanDerWaalsContact O-N 3.11Å; S10-A13 CarbonylContact O-C 3.6Å; S10-A13 WeakPolarHBondContact O-CA 3.45Å; S10-A13 WeakPolarHBondContact O-CB 3.49Å; S10-A13 PolarHBondContact O-N 2.83Å; A13-N16 PolarHBondContact O-N 3.37Å; A13-I17 VanDerWaalsContact O-CG1 3.31Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 3.1Å |
| 14 | E | 65 | Low | 72.5 | Confident | 105 Ų | 105 | 107 Ų | 107 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -44.1 | 176.4 | -70.8 | 165.2 | -128.7 | 0 | 0 | 112 | S10 E11 N16 I17 L18 | S10-E14 WeakPolarHBondContact CB-OE1 3.29Å; S10-E14 WeakPolarHBondContact O-CG 3.16Å; S10-E14 PolarHBondContact O-N 3.3Å; S10-E14 PolarHBondContact OG-OE1 3.39Å; E11-E14 PolarHBondContact O-N 3.3Å; E14-N16 VanDerWaalsContact C-N 3.31Å; E14-N16 PolarHBondContact O-N 3.1Å; E14-I17 PolarHBondContact O-N 2.91Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 3.04Å |
| 15 | M | 71.9 | Confident | 74.6 | Confident | 140 Ų | 140 | 111.1 Ų | 111.1 | 69% | 0.69 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -56.1 | -44.7 | 173.4 | -166.9 | 80.7 | 164.6 | 0 | 0 | 111.6 | E11 L18 E19 | E11-M15 VanDerWaalsContact O-CB 3.3Å; E11-M15 WeakPolarHBondContact O-CB 3.39Å; E11-M15 PolarHBondContact O-N 3.01Å; M15-L18 PolarHBondContact O-N 2.91Å; M15-E19 WeakPolarHBondContact O-CB 3.46Å; M15-E19 PolarHBondContact O-N 3.48Å |
| 16 | N | 81.4 | Confident | 76.3 | Confident | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -42.1 | 178.6 | -168.6 | -20.9 | 0 | 0 | 0 | 111.7 | R12 A13 E14 L18 E19 I20 | R12-N16 WeakPolarHBondContact O-CB 3.46Å; R12-N16 PolarHBondContact O-N 3.39Å; A13-N16 PolarHBondContact O-N 3.37Å; E14-N16 VanDerWaalsContact C-N 3.31Å; E14-N16 PolarHBondContact O-N 3.1Å; N16-L18 VanDerWaalsContact C-N 3.33Å; N16-L18 PolarHBondContact O-N 3.24Å; N16-E19 PolarHBondContact O-N 3.35Å; N16-I20 WeakPolarHBondContact O-CB 3.27Å; N16-I20 VanDerWaalsContact O-CG1 3.29Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 2.65Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.46Å |
| 17 | I | 85.8 | Confident | 78 | Confident | 99 Ų | 99 | 109 Ų | 109 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.9 | -40.4 | 174.5 | -69.5 | 163.8 | 0 | 0 | 0 | 111.2 | A13 E14 N21 | A13-I17 VanDerWaalsContact O-CG1 3.31Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 3.1Å; E14-I17 PolarHBondContact O-N 2.91Å; I17-N21 WeakPolarHBondContact CG2-ND2 3.34Å; I17-N21 WeakPolarHBondContact O-CB 3.49Å; I17-N21 PolarHBondContact O-N 2.99Å; I17-N21 PolarHBondContact O-ND2 3.4Å |
| 18 | L | 86.7 | Confident | 79.7 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 63% | 0.628 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.2 | -43 | 177 | -72.6 | 173.2 | 0 | 0 | 0 | 112.2 | E14 M15 N16 N21 Q22 | E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 3.04Å; M15-L18 PolarHBondContact O-N 2.91Å; N16-L18 VanDerWaalsContact C-N 3.33Å; N16-L18 PolarHBondContact O-N 3.24Å; L18-N21 PolarHBondContact O-N 2.86Å; L18-Q22 PolarHBondContact O-N 3.36Å |
| 19 | E | 87.9 | Confident | 81.7 | Confident | 137 Ų | 137 | 106.3 Ų | 106.3 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.3 | -47.3 | 176.4 | -171.5 | 170.4 | -157.3 | 0 | 0 | 111.5 | M15 N16 N21 Q22 E23 | M15-E19 WeakPolarHBondContact O-CB 3.46Å; M15-E19 PolarHBondContact O-N 3.48Å; N16-E19 PolarHBondContact O-N 3.35Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 2.97Å; E19-Q22 PolarHBondContact O-N 2.86Å; E19-E23 WeakPolarHBondContact O-CB 3.39Å; E19-E23 PolarHBondContact O-N 2.9Å |
| 20 | I | 90.1 | Very high | 83.4 | Confident | 88 Ų | 88 | 107.5 Ų | 107.5 | 45% | 0.451 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 173.3 | -69.1 | 167.4 | 0 | 0 | 0 | 111.2 | N16 Q22 E23 L24 | N16-I20 WeakPolarHBondContact O-CB 3.27Å; N16-I20 VanDerWaalsContact O-CG1 3.29Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 2.65Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.46Å; I20-Q22 VanDerWaalsContact C-N 3.32Å; I20-Q22 PolarHBondContact O-N 3.33Å; I20-E23 PolarHBondContact O-N 2.94Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 3.34Å |
| 21 | N | 90.3 | Very high | 84.9 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -33.8 | 178.3 | -86.7 | -72.3 | 0 | 0 | 0 | 112.8 | I17 L18 E19 R25 | I17-N21 WeakPolarHBondContact CG2-ND2 3.34Å; I17-N21 WeakPolarHBondContact O-CB 3.49Å; I17-N21 PolarHBondContact O-N 2.99Å; I17-N21 PolarHBondContact O-ND2 3.4Å; L18-N21 PolarHBondContact O-N 2.86Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 2.97Å; N21-R25 WeakPolarHBondContact O-CD 3.4Å; N21-R25 WeakPolarHBondContact O-CG 3.28Å; N21-R25 PolarHBondContact O-N 2.92Å |
| 22 | Q | 94.1 | Very high | 86.3 | Confident | 145 Ų | 145 | 104.9 Ų | 104.9 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.7 | -43 | 175.2 | -177.2 | 167.3 | -10 | 0 | 0 | 111.3 | L18 E19 I20 R25 S26 | L18-Q22 PolarHBondContact O-N 3.36Å; E19-Q22 PolarHBondContact O-N 2.86Å; I20-Q22 VanDerWaalsContact C-N 3.32Å; I20-Q22 PolarHBondContact O-N 3.33Å; Q22-R25 WeakPolarHBondContact O-CB 3.3Å; Q22-R25 PolarHBondContact O-N 3.42Å; Q22-S26 PolarHBondContact O-N 2.97Å |
| 23 | E | 94.1 | Very high | 87.7 | Confident | 97 Ų | 97 | 99.3 Ų | 99.3 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 176 | 179.6 | 54 | -154.2 | 0 | 0 | 111.7 | E19 I20 R25 S26 Q27 | E19-E23 WeakPolarHBondContact O-CB 3.39Å; E19-E23 PolarHBondContact O-N 2.9Å; I20-E23 PolarHBondContact O-N 2.94Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 2.98Å; E23-S26 WeakPolarHBondContact O-CA 3.41Å; E23-S26 VanDerWaalsContact O-CB 3.3Å; E23-S26 WeakPolarHBondContact O-CB 3.39Å; E23-S26 PolarHBondContact O-N 3.37Å; E23-Q27 WeakPolarHBondContact O-CG 3.35Å; E23-Q27 PolarHBondContact O-N 3.45Å; E23-Q27 WeakPolarHBondContact OE1-CG 3.25Å; E23-Q27 PolarHBondContact OE1-NE2 3.49Å |
| 24 | L | 94.2 | Very high | 89 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -35.6 | 174.5 | -72.9 | 171.7 | 0 | 0 | 0 | 112.8 | I20 L28 | I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 3.34Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 3.41Å |
| 25 | R | 93.1 | Very high | 90.3 | Very high | 182 Ų | 182 | 103.8 Ų | 103.8 | 69% | 0.687 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.8 | -38.1 | 173.4 | -73.3 | 168.7 | -175.4 | -170.8 | 3.5 | 111.9 | N21 Q22 E23 L28 A29 | N21-R25 WeakPolarHBondContact O-CD 3.4Å; N21-R25 WeakPolarHBondContact O-CG 3.28Å; N21-R25 PolarHBondContact O-N 2.92Å; Q22-R25 WeakPolarHBondContact O-CB 3.3Å; Q22-R25 PolarHBondContact O-N 3.42Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 2.98Å; R25-L28 PolarHBondContact O-N 3.18Å; R25-A29 WeakPolarHBondContact O-CB 3.5Å; R25-A29 PolarHBondContact O-N 3.4Å |
| 26 | S | 94.6 | Very high | 91.3 | Very high | 67 Ų | 67 | 103.3 Ų | 103.3 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -53 | 175 | -167 | 0 | 0 | 0 | 0 | 111 | Q22 E23 L28 A29 E30 | Q22-S26 PolarHBondContact O-N 2.97Å; E23-S26 WeakPolarHBondContact O-CA 3.41Å; E23-S26 VanDerWaalsContact O-CB 3.3Å; E23-S26 WeakPolarHBondContact O-CB 3.39Å; E23-S26 PolarHBondContact O-N 3.37Å; S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.96Å; S26-A29 WeakPolarHBondContact O-CB 3.42Å; S26-A29 PolarHBondContact O-N 2.92Å; S26-E30 PolarHBondContact O-N 3.23Å |
| 27 | Q | 91.2 | Very high | 91.9 | Very high | 100 Ų | 100 | 102 Ų | 102 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -38.9 | 177.1 | -67 | 178.9 | 16.1 | 0 | 0 | 112.4 | E23 E30 S31 | E23-Q27 WeakPolarHBondContact O-CG 3.35Å; E23-Q27 PolarHBondContact O-N 3.45Å; E23-Q27 WeakPolarHBondContact OE1-CG 3.25Å; E23-Q27 PolarHBondContact OE1-NE2 3.49Å; Q27-E30 PolarHBondContact O-N 2.92Å; Q27-S31 VanDerWaalsContact O-CB 3.23Å; Q27-S31 WeakPolarHBondContact O-CB 3.45Å; Q27-S31 PolarHBondContact O-N 3.49Å |
| 28 | L | 93.4 | Very high | 92.3 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 173.7 | -179.3 | 62.3 | 0 | 0 | 0 | 111.7 | L24 R25 S26 N32 | L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 3.41Å; R25-L28 PolarHBondContact O-N 3.18Å; S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.96Å; L28-N32 WeakPolarHBondContact CD1-ND2 3.32Å; L28-N32 WeakPolarHBondContact O-CB 3.42Å; L28-N32 PolarHBondContact O-N 3.01Å; L28-N32 PolarHBondContact O-ND2 3.3Å |
| 29 | A | 94.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 103.2 Ų | 103.2 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R25 S26 N32 Q33 | R25-A29 WeakPolarHBondContact O-CB 3.5Å; R25-A29 PolarHBondContact O-N 3.4Å; S26-A29 WeakPolarHBondContact O-CB 3.42Å; S26-A29 PolarHBondContact O-N 2.92Å; A29-N32 PolarHBondContact O-N 3.45Å; A29-Q33 PolarHBondContact O-N 2.83Å |
| 30 | E | 94.3 | Very high | 92.9 | Very high | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -50 | 176.7 | -167 | -171.5 | 164.9 | 0 | 0 | 111.5 | S26 Q27 N32 Q33 Q34 | S26-E30 PolarHBondContact O-N 3.23Å; Q27-E30 PolarHBondContact O-N 2.92Å; E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 PolarHBondContact O-N 2.82Å; E30-Q33 WeakPolarHBondContact O-CA 3.34Å; E30-Q33 WeakPolarHBondContact O-CB 3.39Å; E30-Q33 PolarHBondContact O-N 3.44Å; E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 2.75Å; E30-Q34 PolarHBondContact OE1-NE2 3.48Å |
| 31 | S | 89.7 | Confident | 93.2 | Very high | 69 Ų | 69 | 104.4 Ų | 104.4 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 176.9 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | Q27 Q33 Q34 F35 | Q27-S31 VanDerWaalsContact O-CB 3.23Å; Q27-S31 WeakPolarHBondContact O-CB 3.45Å; Q27-S31 PolarHBondContact O-N 3.49Å; S31-Q33 PolarHBondContact O-N 2.9Å; S31-Q34 PolarHBondContact O-N 2.88Å; S31-F35 WeakPolarHBondContact O-CB 3.29Å; S31-F35 PolarHBondContact O-N 3.45Å |
| 32 | N | 90.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 105.9 Ų | 105.9 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 173.7 | -83.6 | -64.5 | 0 | 0 | 0 | 113.2 | L28 A29 E30 R36 | L28-N32 WeakPolarHBondContact CD1-ND2 3.32Å; L28-N32 WeakPolarHBondContact O-CB 3.42Å; L28-N32 PolarHBondContact O-N 3.01Å; L28-N32 PolarHBondContact O-ND2 3.3Å; A29-N32 PolarHBondContact O-N 3.45Å; E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 PolarHBondContact O-N 2.82Å; N32-R36 WeakPolarHBondContact O-CG 3.42Å; N32-R36 PolarHBondContact O-N 3.21Å; N32-R36 PolarHBondContact O-NH1 3.37Å |
| 33 | Q | 95.1 | Very high | 93.4 | Very high | 82 Ų | 82 | 103.3 Ų | 103.3 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.1 | -47.2 | 173.5 | -173.7 | 62.3 | 46.5 | 0 | 0 | 111.1 | A29 E30 S31 F35 R36 D37 | A29-Q33 PolarHBondContact O-N 2.83Å; E30-Q33 WeakPolarHBondContact O-CA 3.34Å; E30-Q33 WeakPolarHBondContact O-CB 3.39Å; E30-Q33 PolarHBondContact O-N 3.44Å; S31-Q33 PolarHBondContact O-N 2.9Å; Q33-F35 PolarHBondContact O-N 3.04Å; Q33-R36 WeakPolarHBondContact O-CA 3.46Å; Q33-R36 WeakPolarHBondContact O-CB 3.36Å; Q33-R36 PolarHBondContact O-N 3.34Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.31Å; Q33-R36 VanDerWaalsContact OE1-NE 3.1Å; Q33-D37 PolarHBondContact NE2-OD1 3.08Å; Q33-D37 PolarHBondContact O-N 2.98Å |
| 34 | Q | 90.9 | Very high | 93.3 | Very high | 109 Ų | 109 | 103.2 Ų | 103.2 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.1 | -38.5 | 175.8 | -67.3 | 178.9 | 5.4 | 0 | 0 | 111.6 | E30 S31 D37 L38 | E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 2.75Å; E30-Q34 PolarHBondContact OE1-NE2 3.48Å; S31-Q34 PolarHBondContact O-N 2.88Å; Q34-D37 PolarHBondContact O-N 2.98Å; Q34-L38 VanDerWaalsContact O-CB 3.25Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 3.3Å |
| 35 | F | 91.5 | Very high | 93.3 | Very high | 140 Ų | 140 | 102.9 Ų | 102.9 | 61% | 0.614 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -38.6 | 173.8 | -176.9 | -100.6 | 0 | 0 | 0 | 113.1 | S31 Q33 K39 | S31-F35 WeakPolarHBondContact O-CB 3.29Å; S31-F35 PolarHBondContact O-N 3.45Å; Q33-F35 PolarHBondContact O-N 3.04Å; F35-K39 VanDerWaalsContact O-CB 3.28Å; F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 3.4Å |
| 36 | R | 93.3 | Very high | 93.3 | Very high | 129 Ų | 129 | 97.1 Ų | 97.1 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -50.3 | 173.2 | -74.3 | -174.5 | -70.3 | -92.7 | 9.7 | 111.2 | N32 Q33 L38 K39 E40 | N32-R36 WeakPolarHBondContact O-CG 3.42Å; N32-R36 PolarHBondContact O-N 3.21Å; N32-R36 PolarHBondContact O-NH1 3.37Å; Q33-R36 WeakPolarHBondContact O-CA 3.46Å; Q33-R36 WeakPolarHBondContact O-CB 3.36Å; Q33-R36 PolarHBondContact O-N 3.34Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.31Å; Q33-R36 VanDerWaalsContact OE1-NE 3.1Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 3.34Å; R36-K39 WeakPolarHBondContact O-CB 3.49Å; R36-K39 PolarHBondContact O-N 2.97Å; R36-K39 VanDerWaalsContact O-N 3.14Å; R36-E40 PolarHBondContact O-N 2.91Å |
| 37 | D | 94.3 | Very high | 93.2 | Very high | 60 Ų | 60 | 96.9 Ų | 96.9 | 32% | 0.321 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | -179.2 | -62.4 | -0.9 | 0 | 0 | 0 | 111.7 | Q33 Q34 E40 K41 | Q33-D37 PolarHBondContact NE2-OD1 3.08Å; Q33-D37 PolarHBondContact O-N 2.98Å; Q34-D37 PolarHBondContact O-N 2.98Å; D37-E40 PolarHBondContact O-N 3.23Å; D37-K41 WeakPolarHBondContact O-CB 3.45Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.44Å; D37-K41 PolarHBondContact O-N 3.45Å |
| 38 | L | 94.6 | Very high | 93.3 | Very high | 116 Ų | 116 | 96.1 Ų | 96.1 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.4 | -38 | 177 | -175.2 | 62.1 | 0 | 0 | 0 | 111.6 | Q34 R36 K41 F42 | Q34-L38 VanDerWaalsContact O-CB 3.25Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 PolarHBondContact O-N 3.3Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 3.34Å; L38-K41 PolarHBondContact O-N 2.92Å; L38-F42 WeakPolarHBondContact O-CB 3.27Å; L38-F42 PolarHBondContact O-N 3.49Å |
| 39 | K | 92.8 | Very high | 93.2 | Very high | 127 Ų | 127 | 93.3 Ų | 93.3 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.3 | -41.4 | 175 | -175.2 | -178.7 | 178.9 | -175 | 0 | 111.7 | F35 R36 F42 L43 | F35-K39 VanDerWaalsContact O-CB 3.28Å; F35-K39 WeakPolarHBondContact O-CB 3.38Å; F35-K39 PolarHBondContact O-N 3.4Å; R36-K39 WeakPolarHBondContact O-CB 3.49Å; R36-K39 PolarHBondContact O-N 2.97Å; R36-K39 VanDerWaalsContact O-N 3.14Å; K39-F42 PolarHBondContact O-N 3.28Å; K39-L43 HydrophobicContact CG-CD1 4.42Å; K39-L43 WeakPolarHBondContact O-CG 3.28Å; K39-L43 PolarHBondContact O-N 3.02Å |
| 40 | E | 93.6 | Very high | 93 | Very high | 121 Ų | 121 | 98 Ų | 98 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -49.4 | 174.5 | -175.6 | 177.1 | -178.4 | 0 | 0 | 111.2 | R36 D37 F42 L43 I44 | R36-E40 PolarHBondContact O-N 2.91Å; D37-E40 PolarHBondContact O-N 3.23Å; E40-F42 VanDerWaalsContact C-N 3.28Å; E40-F42 PolarHBondContact O-N 3.1Å; E40-L43 PolarHBondContact O-N 3.32Å; E40-L43 VanDerWaalsContact O-N 3.1Å; E40-I44 HydrophobicContact CG-CD1 3.91Å; E40-I44 WeakPolarHBondContact O-CG1 3.18Å; E40-I44 PolarHBondContact O-N 2.91Å |
| 41 | K | 96.1 | Very high | 92.8 | Very high | 130 Ų | 130 | 95.7 Ų | 95.7 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.4 | -40 | 175.2 | -73.4 | 167.5 | -176.9 | 169 | 0 | 112.3 | D37 L38 I44 T45 | D37-K41 WeakPolarHBondContact O-CB 3.45Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.44Å; D37-K41 PolarHBondContact O-N 3.45Å; L38-K41 PolarHBondContact O-N 2.92Å; K41-I44 PolarHBondContact O-N 3.43Å; K41-T45 WeakPolarHBondContact O-CB 3.5Å; K41-T45 PolarHBondContact O-N 3.36Å; K41-T45 PolarHBondContact O-OG1 2.95Å |
| 42 | F | 93.6 | Very high | 92.8 | Very high | 103 Ų | 103 | 97.4 Ų | 97.4 | 45% | 0.452 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.4 | 177.4 | -94.5 | 0 | 0 | 0 | 111.7 | L38 K39 E40 I44 T45 Q46 | L38-F42 WeakPolarHBondContact O-CB 3.27Å; L38-F42 PolarHBondContact O-N 3.49Å; K39-F42 PolarHBondContact O-N 3.28Å; E40-F42 VanDerWaalsContact C-N 3.28Å; E40-F42 PolarHBondContact O-N 3.1Å; F42-I44 PolarHBondContact O-N 2.87Å; F42-T45 PolarHBondContact O-N 2.9Å; F42-Q46 WeakPolarHBondContact O-CB 3.44Å; F42-Q46 PolarHBondContact O-N 3.22Å |
| 43 | L | 94.9 | Very high | 92.5 | Very high | 91 Ų | 91 | 95 Ų | 95 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 177.9 | -70.3 | 167.9 | 0 | 0 | 0 | 112.5 | K39 E40 Q46 A47 | K39-L43 HydrophobicContact CG-CD1 4.42Å; K39-L43 WeakPolarHBondContact O-CG 3.28Å; K39-L43 PolarHBondContact O-N 3.02Å; E40-L43 PolarHBondContact O-N 3.32Å; E40-L43 VanDerWaalsContact O-N 3.1Å; L43-Q46 PolarHBondContact O-N 2.96Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.16Å |
| 44 | I | 94 | Very high | 92 | Very high | 94 Ų | 94 | 94.4 Ų | 94.4 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 174.5 | -66.7 | 167.3 | 0 | 0 | 0 | 110.7 | E40 K41 F42 A47 T48 | E40-I44 HydrophobicContact CG-CD1 3.91Å; E40-I44 WeakPolarHBondContact O-CG1 3.18Å; E40-I44 PolarHBondContact O-N 2.91Å; K41-I44 PolarHBondContact O-N 3.43Å; F42-I44 PolarHBondContact O-N 2.87Å; I44-A47 PolarHBondContact O-N 3.44Å; I44-T48 PolarHBondContact O-N 2.96Å; I44-T48 PolarHBondContact O-OG1 2.69Å |
| 45 | T | 93.8 | Very high | 91.6 | Very high | 89 Ų | 89 | 94.4 Ų | 94.4 | 55% | 0.546 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | K41 F42 T48 A49 | K41-T45 WeakPolarHBondContact O-CB 3.5Å; K41-T45 PolarHBondContact O-N 3.36Å; K41-T45 PolarHBondContact O-OG1 2.95Å; F42-T45 PolarHBondContact O-N 2.9Å; T45-T48 WeakPolarHBondContact CA-OG1 3.46Å; T45-T48 PolarHBondContact O-N 2.95Å; T45-T48 PolarHBondContact O-OG1 3.21Å; T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.42Å; T45-A49 PolarHBondContact O-N 2.95Å |
| 46 | Q | 92.8 | Very high | 91 | Very high | 62 Ų | 62 | 90.3 Ų | 90.3 | 29% | 0.29 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 175.7 | -175.5 | 169.3 | 62.1 | 0 | 0 | 111.8 | F42 L43 T48 A49 Y50 E75 | F42-Q46 WeakPolarHBondContact O-CB 3.44Å; F42-Q46 PolarHBondContact O-N 3.22Å; L43-Q46 PolarHBondContact O-N 2.96Å; Q46-T48 PolarHBondContact O-N 3.29Å; Q46-A49 PolarHBondContact O-N 3.4Å; Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.47Å; Q46-Y50 PolarHBondContact O-N 2.93Å; Q46-E75 PolarHBondContact NE2-OE1 3.47Å |
| 47 | A | 91.6 | Very high | 90.2 | Very high | 61 Ų | 61 | 91.8 Ų | 91.8 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L43 I44 S51 | L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.16Å; I44-A47 PolarHBondContact O-N 3.44Å; A47-S51 VanDerWaalsContact O-CB 3.32Å; A47-S51 WeakPolarHBondContact O-CB 3.32Å; A47-S51 PolarHBondContact O-N 2.84Å |
| 48 | T | 94.7 | Very high | 89.5 | Confident | 85 Ų | 85 | 96.8 Ų | 96.8 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.1 | -42.4 | 176.3 | 38.4 | 0 | 0 | 0 | 0 | 112.3 | I44 T45 Q46 S51 L52 | I44-T48 PolarHBondContact O-N 2.96Å; I44-T48 PolarHBondContact O-OG1 2.69Å; T45-T48 WeakPolarHBondContact CA-OG1 3.46Å; T45-T48 PolarHBondContact O-N 2.95Å; T45-T48 PolarHBondContact O-OG1 3.21Å; Q46-T48 PolarHBondContact O-N 3.29Å; T48-S51 PolarHBondContact O-N 2.71Å; T48-L52 WeakPolarHBondContact O-CB 3.35Å; T48-L52 PolarHBondContact O-N 3.46Å |
| 49 | A | 91.5 | Very high | 88.4 | Confident | 47 Ų | 47 | 98.9 Ų | 98.9 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | T45 Q46 L52 A53 | T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.42Å; T45-A49 PolarHBondContact O-N 2.95Å; Q46-A49 PolarHBondContact O-N 3.4Å; A49-L52 PolarHBondContact O-N 2.91Å; A49-A53 WeakPolarHBondContact O-CB 3.47Å; A49-A53 PolarHBondContact O-N 3.14Å |
| 50 | Y | 89.6 | Confident | 87 | Confident | 157 Ų | 157 | 101.2 Ų | 101.2 | 62% | 0.616 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 177 | -177.4 | -102.3 | 0 | 0 | 0 | 112.6 | Q46 N54 | Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.47Å; Q46-Y50 PolarHBondContact O-N 2.93Å; Y50-N54 WeakPolarHBondContact CE1-ND2 3.42Å; Y50-N54 VanDerWaalsContact CZ-ND2 3.26Å; Y50-N54 WeakPolarHBondContact O-CB 3.36Å; Y50-N54 PolarHBondContact O-N 2.84Å; Y50-N54 PolarHBondContact O-ND2 2.91Å |
| 51 | S | 91.1 | Very high | 85.3 | Confident | 65 Ų | 65 | 97.6 Ų | 97.6 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 174.2 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | A47 T48 N54 Q55 | A47-S51 VanDerWaalsContact O-CB 3.32Å; A47-S51 WeakPolarHBondContact O-CB 3.32Å; A47-S51 PolarHBondContact O-N 2.84Å; T48-S51 PolarHBondContact O-N 2.71Å; S51-N54 PolarHBondContact O-N 3.42Å; S51-Q55 WeakPolarHBondContact O-CG 3.25Å; S51-Q55 PolarHBondContact O-N 3.5Å |
| 52 | L | 89.1 | Confident | 83.8 | Confident | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 178.2 | -175.2 | 63.6 | 0 | 0 | 0 | 111.9 | T48 A49 N54 Q55 L56 | T48-L52 WeakPolarHBondContact O-CB 3.35Å; T48-L52 PolarHBondContact O-N 3.46Å; A49-L52 PolarHBondContact O-N 2.91Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.3Å; L52-Q55 PolarHBondContact O-N 3.49Å; L52-Q55 VanDerWaalsContact O-N 3.1Å; L52-L56 HydrophobicContact CG-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 2.95Å |
| 53 | A | 83.2 | Confident | 82.6 | Confident | 22 Ų | 22 | 100.2 Ų | 100.2 | 18% | 0.182 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A49 L56 K57 | A49-A53 WeakPolarHBondContact O-CB 3.47Å; A49-A53 PolarHBondContact O-N 3.14Å; A53-L56 PolarHBondContact O-N 3.34Å; A53-K57 VanDerWaalsContact O-CB 3.29Å; A53-K57 WeakPolarHBondContact O-CB 3.44Å; A53-K57 PolarHBondContact O-N 3.02Å |
| 54 | N | 84.5 | Confident | 81.2 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 173.9 | -81.2 | -35.3 | 0 | 0 | 0 | 112.9 | Y50 S51 L52 K58 | Y50-N54 WeakPolarHBondContact CE1-ND2 3.42Å; Y50-N54 VanDerWaalsContact CZ-ND2 3.26Å; Y50-N54 WeakPolarHBondContact O-CB 3.36Å; Y50-N54 PolarHBondContact O-N 2.84Å; Y50-N54 PolarHBondContact O-ND2 2.91Å; S51-N54 PolarHBondContact O-N 3.42Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.3Å; N54-K58 WeakPolarHBondContact O-CB 3.43Å; N54-K58 PolarHBondContact O-N 3.03Å |
| 55 | Q | 82.8 | Confident | 80.4 | Confident | 109 Ų | 109 | 101.7 Ų | 101.7 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 172 | -66.7 | -151.8 | 22.7 | 0 | 0 | 112 | S51 L52 K57 K58 Y59 | S51-Q55 WeakPolarHBondContact O-CG 3.25Å; S51-Q55 PolarHBondContact O-N 3.5Å; L52-Q55 PolarHBondContact O-N 3.49Å; L52-Q55 VanDerWaalsContact O-N 3.1Å; Q55-K57 VanDerWaalsContact C-N 3.3Å; Q55-K57 PolarHBondContact O-N 3.23Å; Q55-K58 WeakPolarHBondContact O-CB 3.35Å; Q55-K58 PolarHBondContact O-N 3.31Å; Q55-K58 VanDerWaalsContact O-N 3.1Å; Q55-Y59 WeakPolarHBondContact O-CD2 3.43Å; Q55-Y59 PolarHBondContact O-N 2.92Å |
| 56 | L | 79 | Confident | 79.7 | Confident | 54 Ų | 54 | 103.4 Ų | 103.4 | 28% | 0.283 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 176.8 | -67.3 | 170.8 | 0 | 0 | 0 | 111.9 | L52 A53 Y59 I68 | L52-L56 HydrophobicContact CG-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 2.95Å; A53-L56 PolarHBondContact O-N 3.34Å; L56-Y59 PolarHBondContact O-N 3.28Å; L56-I68 HydrophobicContact CB-CD1 3.7Å; L56-I68 HydrophobicContact CD1-CD1 3.92Å; L56-I68 HydrophobicContact CD1-CG1 4.28Å; L56-I68 HydrophobicContact CG-CD1 4.45Å |
| 57 | K | 76.4 | Confident | 79.2 | Confident | 160 Ų | 160 | 105.3 Ų | 105.3 | 70% | 0.696 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 173.6 | -173.3 | 175.6 | -178.4 | 176.6 | 0 | 112.5 | A53 Q55 Y59 K60 | A53-K57 VanDerWaalsContact O-CB 3.29Å; A53-K57 WeakPolarHBondContact O-CB 3.44Å; A53-K57 PolarHBondContact O-N 3.02Å; Q55-K57 VanDerWaalsContact C-N 3.3Å; Q55-K57 PolarHBondContact O-N 3.23Å; K57-Y59 VanDerWaalsContact C-N 3.29Å; K57-Y59 PolarHBondContact O-N 3Å; K57-K60 PolarHBondContact O-N 3.31Å |
| 58 | K | 79.9 | Confident | 78.6 | Confident | 165 Ų | 165 | 104.1 Ų | 104.1 | 72% | 0.717 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -35.2 | 176.1 | -178.2 | -177.7 | 176.4 | -176.8 | 0 | 112.3 | N54 Q55 K60 | N54-K58 WeakPolarHBondContact O-CB 3.43Å; N54-K58 PolarHBondContact O-N 3.03Å; Q55-K58 WeakPolarHBondContact O-CB 3.35Å; Q55-K58 PolarHBondContact O-N 3.31Å; Q55-K58 VanDerWaalsContact O-N 3.1Å; K58-K60 VanDerWaalsContact C-N 3.34Å |
| 59 | Y | 71.6 | Confident | 77.9 | Confident | 159 Ų | 159 | 103.4 Ų | 103.4 | 62% | 0.624 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1.1 | -179.3 | -70.9 | -65.5 | 0 | 0 | 0 | 115 | Q55 L56 K57 C61 | Q55-Y59 WeakPolarHBondContact O-CD2 3.43Å; Q55-Y59 PolarHBondContact O-N 2.92Å; L56-Y59 PolarHBondContact O-N 3.28Å; K57-Y59 VanDerWaalsContact C-N 3.29Å; K57-Y59 PolarHBondContact O-N 3Å; Y59-C61 PolarHBondContact O-N 2.93Å |
| 60 | K | 63.8 | Low | 77.6 | Confident | 177 Ų | 177 | 103.6 Ų | 103.6 | 77% | 0.77 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 48.3 | -173.1 | -72.6 | -168.9 | 174.2 | -174.1 | 0 | 112.1 | K57 K58 E62 | K57-K60 PolarHBondContact O-N 3.31Å; K58-K60 VanDerWaalsContact C-N 3.34Å; K60-E62 PolarHBondContact O-N 3.23Å |
| 61 | C | 57.8 | Low | 77.3 | Confident | 45 Ų | 45 | 100.1 Ų | 100.1 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | trans | -70.9 | 77.3 | 174 | -99.6 | 0 | 0 | 0 | 0 | 110.4 | Y59 E63 Y64 K65 | Y59-C61 PolarHBondContact O-N 2.93Å; C61-E63 PolarHBondContact O-N 3.41Å; C61-Y64 HydrophobicContact CB-CD2 3.91Å; C61-Y64 PolarHBondContact O-N 3.01Å; C61-K65 PolarHBondContact O-N 3.44Å | ||
| 62 | E | 65.3 | Low | 76.8 | Confident | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.1 | -176.7 | -143.7 | 69.5 | -167.7 | 0 | 0 | 111.9 | K60 Y64 K65 | K60-E62 PolarHBondContact O-N 3.23Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 2.77Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 3.43Å; E62-K65 WeakPolarHBondContact OE1-CD 3.36Å; E62-K65 IonicContact OE1-NZ 3.68Å; E62-K65 PolarHBondContact OE1-NZ 3.46Å |
| 63 | E | 66.6 | Low | 76.4 | Confident | 170 Ų | 170 | 102.4 Ų | 102.4 | 79% | 0.794 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -65.7 | -21.2 | 174 | -71.6 | -178.7 | 131.5 | 0 | 0 | 114.8 | C61 | C61-E63 PolarHBondContact O-N 3.41Š|
| 64 | Y | 66.8 | Low | 76.3 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -109.8 | -0.2 | -177.9 | -63 | -80.8 | 0 | 0 | 0 | 113.3 | C61 E62 D66 I67 I68 | C61-Y64 HydrophobicContact CB-CD2 3.91Å; C61-Y64 PolarHBondContact O-N 3.01Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 2.77Å; Y64-D66 PolarHBondContact O-N 3.03Å; Y64-I67 HydrophobicContact CD1-CD1 4.03Å; Y64-I67 WeakPolarHBondContact O-CB 3.34Å; Y64-I67 PolarHBondContact O-N 2.66Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.78Å |
| 65 | K | 76.1 | Confident | 76.2 | Confident | 99 Ų | 99 | 105 Ų | 105 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | -173.5 | -164.6 | -179.8 | -173.9 | -177.2 | 0 | 112.4 | C61 E62 I67 I68 D69 | C61-K65 PolarHBondContact O-N 3.44Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 3.43Å; E62-K65 WeakPolarHBondContact OE1-CD 3.36Å; E62-K65 IonicContact OE1-NZ 3.68Å; E62-K65 PolarHBondContact OE1-NZ 3.46Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.3Å; K65-I68 PolarHBondContact O-N 3.49Å; K65-D69 WeakPolarHBondContact O-CB 3.44Å; K65-D69 PolarHBondContact O-N 2.76Å |
| 66 | D | 79.4 | Confident | 76.1 | Confident | 125 Ų | 125 | 105 Ų | 105 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -32.4 | 177.9 | -63.1 | -32.3 | 0 | 0 | 0 | 112.3 | Y64 S70 | Y64-D66 PolarHBondContact O-N 3.03Å; D66-S70 VanDerWaalsContact O-CB 3.29Å; D66-S70 WeakPolarHBondContact O-CB 3.24Å; D66-S70 PolarHBondContact O-N 3.31Å |
| 67 | I | 82.4 | Confident | 76.1 | Confident | 102 Ų | 102 | 108.3 Ų | 108.3 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.5 | -45 | 176.4 | -63.1 | 167.4 | 0 | 0 | 0 | 110.1 | Y64 K65 S70 V71 | Y64-I67 HydrophobicContact CD1-CD1 4.03Å; Y64-I67 WeakPolarHBondContact O-CB 3.34Å; Y64-I67 PolarHBondContact O-N 2.66Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.3Å; I67-S70 WeakPolarHBondContact O-CB 3.23Å; I67-S70 PolarHBondContact O-N 3.05Å; I67-V71 WeakPolarHBondContact O-CG2 3.44Å; I67-V71 PolarHBondContact O-N 3.43Å |
| 68 | I | 79.8 | Confident | 76.2 | Confident | 35 Ų | 35 | 103.7 Ų | 103.7 | 18% | 0.179 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 176.2 | -65.6 | 163.3 | 0 | 0 | 0 | 110.3 | L56 Y64 K65 S70 V71 L72 | L56-I68 HydrophobicContact CB-CD1 3.7Å; L56-I68 HydrophobicContact CD1-CD1 3.92Å; L56-I68 HydrophobicContact CD1-CG1 4.28Å; L56-I68 HydrophobicContact CG-CD1 4.45Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.78Å; K65-I68 PolarHBondContact O-N 3.49Å; I68-S70 VanDerWaalsContact C-N 3.3Å; I68-S70 PolarHBondContact O-N 3.4Å; I68-V71 PolarHBondContact O-N 2.85Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.43Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å |
| 69 | D | 80.2 | Confident | 75.9 | Confident | 70 Ų | 70 | 100.1 Ų | 100.1 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.3 | -28.5 | 178.2 | -82.3 | 5.3 | 0 | 0 | 0 | 112.8 | K65 R73 | K65-D69 WeakPolarHBondContact O-CB 3.44Å; K65-D69 PolarHBondContact O-N 2.76Å; D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 WeakPolarHBondContact O-CG 3.43Å; D69-R73 PolarHBondContact O-N 2.95Å; D69-R73 PolarHBondContact O-NE 3.48Å; D69-R73 PolarHBondContact O-NH2 2.97Å |
| 70 | S | 84.4 | Confident | 76.7 | Confident | 51 Ų | 51 | 99 Ų | 99 | 36% | 0.357 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -55.4 | 170.9 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | D66 I67 I68 L72 R73 D74 | D66-S70 VanDerWaalsContact O-CB 3.29Å; D66-S70 WeakPolarHBondContact O-CB 3.24Å; D66-S70 PolarHBondContact O-N 3.31Å; I67-S70 WeakPolarHBondContact O-CB 3.23Å; I67-S70 PolarHBondContact O-N 3.05Å; I68-S70 VanDerWaalsContact C-N 3.3Å; I68-S70 PolarHBondContact O-N 3.4Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.41Å; S70-R73 WeakPolarHBondContact O-CB 3.22Å; S70-R73 PolarHBondContact O-N 3.46Å; S70-D74 PolarHBondContact O-N 2.94Å |
| 71 | V | 83 | Confident | 78 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | -178.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | I67 I68 R73 D74 E75 | I67-V71 WeakPolarHBondContact O-CG2 3.44Å; I67-V71 PolarHBondContact O-N 3.43Å; I68-V71 PolarHBondContact O-N 2.85Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.23Å; V71-D74 PolarHBondContact O-N 3.37Å; V71-E75 WeakPolarHBondContact O-CB 3.34Å; V71-E75 PolarHBondContact O-N 2.95Å |
| 72 | L | 80 | Confident | 79.4 | Confident | 83 Ų | 83 | 99.5 Ų | 99.5 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 176.2 | -70.9 | 172.7 | 0 | 0 | 0 | 112.9 | I68 S70 L76 | I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.43Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 VanDerWaalsContact O-CG 3.28Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.41Å; L72-L76 VanDerWaalsContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.22Å; L72-L76 PolarHBondContact O-N 3.22Å; L72-L76 VanDerWaalsContact O-N 3.08Å |
| 73 | R | 82.3 | Confident | 80.4 | Confident | 137 Ų | 137 | 96.7 Ų | 96.7 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 173 | -87.3 | -176.2 | -72 | -87.4 | 0.7 | 112 | D69 S70 V71 L76 Q77 | D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 WeakPolarHBondContact O-CG 3.43Å; D69-R73 PolarHBondContact O-N 2.95Å; D69-R73 PolarHBondContact O-NE 3.48Å; D69-R73 PolarHBondContact O-NH2 2.97Å; S70-R73 WeakPolarHBondContact O-CB 3.22Å; S70-R73 PolarHBondContact O-N 3.46Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.23Å; R73-L76 PolarHBondContact O-N 3.48Å; R73-Q77 WeakPolarHBondContact O-CG 3.32Å; R73-Q77 PolarHBondContact O-N 2.93Å |
| 74 | D | 80.8 | Confident | 81.6 | Confident | 93 Ų | 93 | 92 Ų | 92 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | -180 | -63.1 | -29.4 | 0 | 0 | 0 | 111.3 | S70 V71 S78 | S70-D74 PolarHBondContact O-N 2.94Å; V71-D74 PolarHBondContact O-N 3.37Å; D74-S78 WeakPolarHBondContact O-CB 3.47Å; D74-S78 PolarHBondContact O-N 3.43Å |
| 75 | E | 82.6 | Confident | 82.8 | Confident | 53 Ų | 53 | 92.3 Ų | 92.3 | 25% | 0.248 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 173.5 | -168 | 176.9 | 177.3 | 0 | 0 | 111.6 | Q46 V71 S78 M79 | Q46-E75 PolarHBondContact NE2-OE1 3.47Å; V71-E75 WeakPolarHBondContact O-CB 3.34Å; V71-E75 PolarHBondContact O-N 2.95Å; E75-S78 WeakPolarHBondContact O-CB 3.45Å; E75-S78 PolarHBondContact O-N 3.24Å; E75-M79 WeakPolarHBondContact O-CG 3.48Å; E75-M79 PolarHBondContact O-N 2.98Å |
| 76 | L | 80.2 | Confident | 83.4 | Confident | 109 Ų | 109 | 93.7 Ų | 93.7 | 57% | 0.571 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69 | -38.4 | 179.2 | -159.8 | 144.4 | 0 | 0 | 0 | 112.4 | L72 R73 S78 M79 E80 | L72-L76 VanDerWaalsContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.22Å; L72-L76 PolarHBondContact O-N 3.22Å; L72-L76 VanDerWaalsContact O-N 3.08Å; R73-L76 PolarHBondContact O-N 3.48Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-M79 HydrophobicContact CB-CE 4.45Å; L76-M79 HydrophobicContact CG-CE 4.37Å; L76-M79 PolarHBondContact O-N 2.89Å; L76-E80 PolarHBondContact O-N 3.49Å |
| 77 | Q | 78.9 | Confident | 83.9 | Confident | 122 Ų | 122 | 93.9 Ų | 93.9 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.4 | -35.7 | 170.1 | -71.6 | -178 | 13.1 | 0 | 0 | 112.4 | R73 E80 K81 | R73-Q77 WeakPolarHBondContact O-CG 3.32Å; R73-Q77 PolarHBondContact O-N 2.93Å; Q77-E80 PolarHBondContact O-N 2.91Å; Q77-K81 WeakPolarHBondContact O-CB 3.45Å; Q77-K81 PolarHBondContact O-N 3.33Å |
| 78 | S | 78.3 | Confident | 84.4 | Confident | 64 Ų | 64 | 93.2 Ų | 93.2 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 173.9 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | D74 E75 L76 K81 L82 | D74-S78 WeakPolarHBondContact O-CB 3.47Å; D74-S78 PolarHBondContact O-N 3.43Å; E75-S78 WeakPolarHBondContact O-CB 3.45Å; E75-S78 PolarHBondContact O-N 3.24Å; L76-S78 VanDerWaalsContact C-N 3.34Å; S78-K81 PolarHBondContact O-N 3.42Å; S78-L82 WeakPolarHBondContact O-CG 3.43Å; S78-L82 PolarHBondContact O-N 2.98Å |
| 79 | M | 74.4 | Confident | 84.8 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 174 | -72.5 | -166.5 | -66.3 | 0 | 0 | 112.7 | E75 L76 K81 L82 A83 | E75-M79 WeakPolarHBondContact O-CG 3.48Å; E75-M79 PolarHBondContact O-N 2.98Å; L76-M79 HydrophobicContact CB-CE 4.45Å; L76-M79 HydrophobicContact CG-CE 4.37Å; L76-M79 PolarHBondContact O-N 2.89Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.9Å; M79-L82 PolarHBondContact O-N 2.96Å; M79-L82 VanDerWaalsContact O-N 3.16Å; M79-A83 WeakPolarHBondContact O-CB 3.46Å; M79-A83 PolarHBondContact O-N 3.03Å |
| 80 | E | 86.8 | Confident | 85.5 | Confident | 135 Ų | 135 | 94.4 Ų | 94.4 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 175.2 | -174.9 | 175.1 | -156.3 | 0 | 0 | 111.3 | L76 Q77 L82 A83 E84 | L76-E80 PolarHBondContact O-N 3.49Å; Q77-E80 PolarHBondContact O-N 2.91Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3.49Å; E80-A83 PolarHBondContact O-N 2.9Å; E80-E84 PolarHBondContact O-N 2.99Å |
| 81 | K | 91.7 | Very high | 85.9 | Confident | 146 Ų | 146 | 96.5 Ų | 96.5 | 64% | 0.635 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.9 | -30.3 | 175.7 | -168.5 | 174.2 | -175.2 | 175.9 | 0 | 113.2 | Q77 S78 M79 K85 | Q77-K81 WeakPolarHBondContact O-CB 3.45Å; Q77-K81 PolarHBondContact O-N 3.33Å; S78-K81 PolarHBondContact O-N 3.42Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.9Å; K81-K85 WeakPolarHBondContact O-CG 3.39Å; K81-K85 PolarHBondContact O-N 2.98Å |
| 82 | L | 86.5 | Confident | 86.4 | Confident | 87 Ų | 87 | 98.2 Ų | 98.2 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.3 | -39.9 | 171.7 | -75.5 | 168.7 | 0 | 0 | 0 | 112 | S78 M79 E80 K85 L86 | S78-L82 WeakPolarHBondContact O-CG 3.43Å; S78-L82 PolarHBondContact O-N 2.98Å; M79-L82 PolarHBondContact O-N 2.96Å; M79-L82 VanDerWaalsContact O-N 3.16Å; E80-L82 VanDerWaalsContact C-N 3.31Å; E80-L82 PolarHBondContact O-N 3.49Å; L82-K85 WeakPolarHBondContact O-CB 3.3Å; L82-K85 PolarHBondContact O-N 2.96Å; L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.21Å |
| 83 | A | 86.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 102.1 Ų | 102.1 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M79 E80 L86 R87 | M79-A83 WeakPolarHBondContact O-CB 3.46Å; M79-A83 PolarHBondContact O-N 3.03Å; E80-A83 PolarHBondContact O-N 2.9Å; A83-L86 PolarHBondContact O-N 2.99Å; A83-R87 PolarHBondContact O-N 3.04Å |
| 84 | E | 92.7 | Very high | 87.7 | Confident | 70 Ų | 70 | 101.2 Ų | 101.2 | 33% | 0.327 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.5 | -178.8 | 60.6 | -150.7 | 0 | 0 | 111.7 | E80 L86 R87 Q88 | E80-E84 PolarHBondContact O-N 2.99Å; E84-L86 PolarHBondContact O-N 3.36Å; E84-R87 PolarHBondContact O-N 3.45Å; E84-R87 IonicContact OE1-CZ 3.55Å; E84-R87 IonicContact OE1-NH1 3.43Å; E84-R87 IonicContact OE1-NH2 3.44Å; E84-R87 PolarHBondContact OE1-NH2 3.44Å; E84-R87 IonicContact OE2-CZ 3.49Å; E84-R87 IonicContact OE2-NH1 3.57Å; E84-R87 PolarHBondContact OE2-NH1 2.9Å; E84-R87 IonicContact OE2-NH2 2.77Å; E84-R87 PolarHBondContact OE2-NH2 2.94Å; E84-Q88 VanDerWaalsContact O-CG 3.32Å; E84-Q88 WeakPolarHBondContact O-CG 3.5Å; E84-Q88 PolarHBondContact O-N 3.46Å; E84-Q88 PolarHBondContact OE1-NE2 3.19Å |
| 85 | K | 91.6 | Very high | 88.3 | Confident | 125 Ų | 125 | 104.1 Ų | 104.1 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 172.8 | -79.2 | 178.1 | 174.8 | -171.5 | 0 | 112.6 | K81 L82 Q88 A89 | K81-K85 WeakPolarHBondContact O-CG 3.39Å; K81-K85 PolarHBondContact O-N 2.98Å; L82-K85 WeakPolarHBondContact O-CB 3.3Å; L82-K85 PolarHBondContact O-N 2.96Å; K85-Q88 PolarHBondContact O-N 3.14Å; K85-A89 WeakPolarHBondContact O-CB 3.31Å; K85-A89 PolarHBondContact O-N 3.05Å |
| 86 | L | 88.8 | Confident | 89 | Confident | 128 Ų | 128 | 108 Ų | 108 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 175.9 | -78.2 | 167.4 | 0 | 0 | 0 | 111.6 | L82 A83 E84 A89 E90 | L82-L86 WeakPolarHBondContact O-CG 3.48Å; L82-L86 PolarHBondContact O-N 3.21Å; A83-L86 PolarHBondContact O-N 2.99Å; E84-L86 PolarHBondContact O-N 3.36Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-E90 PolarHBondContact O-N 3.24Å |
| 87 | R | 90.9 | Very high | 89.7 | Confident | 129 Ų | 129 | 105.8 Ų | 105.8 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.4 | -157 | -172.8 | 77.3 | -114.7 | -20.2 | 111.3 | A83 E84 A89 E90 E91 | A83-R87 PolarHBondContact O-N 3.04Å; E84-R87 PolarHBondContact O-N 3.45Å; E84-R87 IonicContact OE1-CZ 3.55Å; E84-R87 IonicContact OE1-NH1 3.43Å; E84-R87 IonicContact OE1-NH2 3.44Å; E84-R87 PolarHBondContact OE1-NH2 3.44Å; E84-R87 IonicContact OE2-CZ 3.49Å; E84-R87 IonicContact OE2-NH1 3.57Å; E84-R87 PolarHBondContact OE2-NH1 2.9Å; E84-R87 IonicContact OE2-NH2 2.77Å; E84-R87 PolarHBondContact OE2-NH2 2.94Å; R87-A89 VanDerWaalsContact C-N 3.33Å; R87-A89 PolarHBondContact O-N 2.95Å; R87-E90 PolarHBondContact O-N 3.24Å; R87-E91 IonicContact CZ-OE1 3.62Å; R87-E91 IonicContact NE-OE1 2.66Å; R87-E91 PolarHBondContact NE-OE1 3.47Å; R87-E91 IonicContact NH2-OE1 3.37Å; R87-E91 PolarHBondContact NH2-OE1 3.07Å; R87-E91 WeakPolarHBondContact O-CG 3.37Å; R87-E91 PolarHBondContact O-N 3.14Å |
| 88 | Q | 92.2 | Very high | 90.5 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 176.4 | -69.6 | 170.3 | 13.8 | 0 | 0 | 112.7 | E84 K85 L92 | E84-Q88 VanDerWaalsContact O-CG 3.32Å; E84-Q88 WeakPolarHBondContact O-CG 3.5Å; E84-Q88 PolarHBondContact O-N 3.46Å; E84-Q88 PolarHBondContact OE1-NE2 3.19Å; K85-Q88 PolarHBondContact O-N 3.14Å; Q88-L92 WeakPolarHBondContact O-CB 3.24Å; Q88-L92 WeakPolarHBondContact O-CG 3.32Å; Q88-L92 PolarHBondContact O-N 3.29Å |
| 89 | A | 89 | Confident | 91.4 | Very high | 55 Ų | 55 | 105.1 Ų | 105.1 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K85 L86 R87 L92 R93 | K85-A89 WeakPolarHBondContact O-CB 3.31Å; K85-A89 PolarHBondContact O-N 3.05Å; L86-A89 PolarHBondContact O-N 3.41Å; R87-A89 VanDerWaalsContact C-N 3.33Å; R87-A89 PolarHBondContact O-N 2.95Å; A89-L92 PolarHBondContact O-N 3.3Å; A89-R93 WeakPolarHBondContact O-CB 3.11Å; A89-R93 PolarHBondContact O-N 3.02Å |
| 90 | E | 93.3 | Very high | 92.4 | Very high | 75 Ų | 75 | 106.5 Ų | 106.5 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73 | -37.5 | 176.1 | -173.7 | 56.5 | -142 | 0 | 0 | 112 | L86 R87 L92 R93 Q94 | L86-E90 PolarHBondContact O-N 3.24Å; R87-E90 PolarHBondContact O-N 3.24Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 2.91Å; E90-R93 WeakPolarHBondContact O-CB 3.43Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-NH1 2.84Å; E90-R93 WeakPolarHBondContact OE2-CD 3.32Å; E90-R93 IonicContact OE2-CZ 2.65Å; E90-R93 IonicContact OE2-NE 2.78Å; E90-R93 IonicContact OE2-NH1 3.8Å; E90-R93 PolarHBondContact OE2-NH1 3.46Å; E90-Q94 WeakPolarHBondContact O-CG 3.33Å; E90-Q94 PolarHBondContact O-N 3.1Å; E90-Q94 PolarHBondContact OE1-NE2 2.89Å |
| 91 | E | 93.6 | Very high | 92.8 | Very high | 95 Ų | 95 | 102.7 Ų | 102.7 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.9 | -45 | 169.6 | -73.5 | 170.7 | -151.4 | 0 | 0 | 111.4 | R87 Q94 Y95 | R87-E91 IonicContact CZ-OE1 3.62Å; R87-E91 IonicContact NE-OE1 2.66Å; R87-E91 PolarHBondContact NE-OE1 3.47Å; R87-E91 IonicContact NH2-OE1 3.37Å; R87-E91 PolarHBondContact NH2-OE1 3.07Å; R87-E91 WeakPolarHBondContact O-CG 3.37Å; R87-E91 PolarHBondContact O-N 3.14Å; E91-Q94 PolarHBondContact O-N 3.06Å; E91-Y95 PolarHBondContact O-N 2.91Å |
| 92 | L | 94.2 | Very high | 93 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 175.1 | -77 | 169.7 | 0 | 0 | 0 | 112.9 | Q88 A89 E90 Y95 K96 | Q88-L92 WeakPolarHBondContact O-CB 3.24Å; Q88-L92 WeakPolarHBondContact O-CG 3.32Å; Q88-L92 PolarHBondContact O-N 3.29Å; A89-L92 PolarHBondContact O-N 3.3Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 2.91Å; L92-Y95 PolarHBondContact O-N 3.46Å; L92-K96 WeakPolarHBondContact O-CB 3.32Å; L92-K96 PolarHBondContact O-N 3.4Å |
| 93 | R | 94.6 | Very high | 93.4 | Very high | 165 Ų | 165 | 99.2 Ų | 99.2 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 175.2 | -175.8 | -167.4 | -179 | -168.8 | -0.3 | 111.5 | A89 E90 K96 A97 | A89-R93 WeakPolarHBondContact O-CB 3.11Å; A89-R93 PolarHBondContact O-N 3.02Å; E90-R93 WeakPolarHBondContact O-CB 3.43Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-NH1 2.84Å; E90-R93 WeakPolarHBondContact OE2-CD 3.32Å; E90-R93 IonicContact OE2-CZ 2.65Å; E90-R93 IonicContact OE2-NE 2.78Å; E90-R93 IonicContact OE2-NH1 3.8Å; E90-R93 PolarHBondContact OE2-NH1 3.46Å; R93-K96 PolarHBondContact O-N 3.35Å; R93-A97 PolarHBondContact O-N 2.99Å |
| 94 | Q | 94.9 | Very high | 93.9 | Very high | 118 Ų | 118 | 103.2 Ų | 103.2 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 176.5 | -69.9 | 172.5 | 19.8 | 0 | 0 | 111.6 | E90 E91 K96 A97 L98 | E90-Q94 WeakPolarHBondContact O-CG 3.33Å; E90-Q94 PolarHBondContact O-N 3.1Å; E90-Q94 PolarHBondContact OE1-NE2 2.89Å; E91-Q94 PolarHBondContact O-N 3.06Å; Q94-K96 PolarHBondContact O-N 2.89Å; Q94-A97 PolarHBondContact O-N 3.42Å; Q94-L98 PolarHBondContact O-N 3.36Å |
| 95 | Y | 93.3 | Very high | 94.1 | Very high | 155 Ų | 155 | 105.2 Ų | 105.2 | 61% | 0.608 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 174.1 | -179 | -102.4 | 0 | 0 | 0 | 111.9 | E91 L92 A97 L98 V99 | E91-Y95 PolarHBondContact O-N 2.91Å; L92-Y95 PolarHBondContact O-N 3.46Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.43Å; Y95-L98 PolarHBondContact O-N 3.45Å; Y95-V99 HydrophobicContact CD1-CG2 4.14Å; Y95-V99 HydrophobicContact CE1-CG2 3.67Å; Y95-V99 HydrophobicContact CE2-CG2 4.1Å; Y95-V99 WeakPolarHBondContact O-CG2 3.35Å; Y95-V99 PolarHBondContact O-N 3Å |
| 96 | K | 96.3 | Very high | 94.3 | Very high | 135 Ų | 135 | 103.2 Ų | 103.2 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -42.3 | 175.7 | -178 | 172.7 | -179.3 | 177.1 | 0 | 112 | L92 R93 Q94 V99 H100 | L92-K96 WeakPolarHBondContact O-CB 3.32Å; L92-K96 PolarHBondContact O-N 3.4Å; R93-K96 PolarHBondContact O-N 3.35Å; Q94-K96 PolarHBondContact O-N 2.89Å; K96-V99 PolarHBondContact O-N 2.93Å; K96-H100 VanDerWaalsContact CE-NE2 3.34Å; K96-H100 WeakPolarHBondContact CE-NE2 3.38Å; K96-H100 PolarHBondContact O-CD2 3.49Å; K96-H100 PolarHBondContact O-N 2.92Å |
| 97 | A | 95.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 101 Ų | 101 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R93 Q94 Y95 H100 S101 | R93-A97 PolarHBondContact O-N 2.99Å; Q94-A97 PolarHBondContact O-N 3.42Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.43Å; A97-H100 PolarHBondContact O-N 2.97Å; A97-S101 PolarHBondContact O-N 3.3Å |
| 98 | L | 96.3 | Very high | 94.9 | Very high | 113 Ų | 113 | 99.4 Ų | 99.4 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 176.3 | -179.1 | 62.5 | 0 | 0 | 0 | 112 | Q94 Y95 H100 S101 Q102 | Q94-L98 PolarHBondContact O-N 3.36Å; Y95-L98 PolarHBondContact O-N 3.45Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.2Å; L98-S101 WeakPolarHBondContact O-CB 3.49Å; L98-S101 PolarHBondContact O-N 3.03Å; L98-S101 VanDerWaalsContact O-N 3.14Å; L98-Q102 PolarHBondContact O-N 3.44Å |
| 99 | V | 96.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 176 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | Y95 K96 Q102 A103 | Y95-V99 HydrophobicContact CD1-CG2 4.14Å; Y95-V99 HydrophobicContact CE1-CG2 3.67Å; Y95-V99 HydrophobicContact CE2-CG2 4.1Å; Y95-V99 WeakPolarHBondContact O-CG2 3.35Å; Y95-V99 PolarHBondContact O-N 3Å; K96-V99 PolarHBondContact O-N 2.93Å; V99-Q102 PolarHBondContact O-N 3.44Å; V99-A103 VanDerWaalsContact O-CB 3.31Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 3.41Å |
| 100 | H | 94.2 | Very high | 95.3 | Very high | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.546 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 174.4 | -77.4 | -62.3 | 0 | 0 | 0 | 113.1 | K96 A97 L98 K104 | K96-H100 VanDerWaalsContact CE-NE2 3.34Å; K96-H100 WeakPolarHBondContact CE-NE2 3.38Å; K96-H100 PolarHBondContact O-CD2 3.49Å; K96-H100 PolarHBondContact O-N 2.92Å; A97-H100 PolarHBondContact O-N 2.97Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.2Å; H100-K104 PolarHBondContact O-N 3.27Å |
| 101 | S | 95 | Very high | 95.4 | Very high | 56 Ų | 56 | 107.6 Ų | 107.6 | 39% | 0.392 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 173.5 | -164.9 | 0 | 0 | 0 | 0 | 111.2 | A97 L98 A103 K104 E105 | A97-S101 PolarHBondContact O-N 3.3Å; L98-S101 WeakPolarHBondContact O-CB 3.49Å; L98-S101 PolarHBondContact O-N 3.03Å; L98-S101 VanDerWaalsContact O-N 3.14Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.97Å; S101-K104 WeakPolarHBondContact O-CB 3.4Å; S101-K104 PolarHBondContact O-N 3.41Å; S101-K104 VanDerWaalsContact O-N 3.1Å; S101-E105 PolarHBondContact O-N 2.95Å; S101-E105 PolarHBondContact OG-OE1 3.44Å |
| 102 | Q | 97.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 109.8 Ų | 109.8 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 179.5 | -167.9 | 178.1 | 19.3 | 0 | 0 | 112 | L98 V99 K104 E105 L106 | L98-Q102 PolarHBondContact O-N 3.44Å; V99-Q102 PolarHBondContact O-N 3.44Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.24Å; Q102-E105 PolarHBondContact O-N 3.02Å; Q102-L106 HydrophobicContact CG-CD1 4.49Å; Q102-L106 WeakPolarHBondContact O-CB 3.28Å; Q102-L106 WeakPolarHBondContact O-CG 3.42Å; Q102-L106 PolarHBondContact O-N 3.05Å |
| 103 | A | 95.4 | Very high | 95.3 | Very high | 46 Ų | 46 | 107.4 Ų | 107.4 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V99 S101 L106 T107 | V99-A103 VanDerWaalsContact O-CB 3.31Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 3.41Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.97Å; A103-L106 PolarHBondContact O-N 3.12Å; A103-T107 PolarHBondContact O-N 2.94Å; A103-T107 PolarHBondContact O-OG1 3.44Å; A103-T107 VanDerWaalsContact O-OG1 3.11Å |
| 104 | K | 96.6 | Very high | 95.2 | Very high | 141 Ų | 141 | 106.8 Ų | 106.8 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 175.2 | -173.7 | 179.1 | 179.1 | 179.9 | 0 | 111.9 | H100 S101 Q102 T107 Q108 | H100-K104 PolarHBondContact O-N 3.27Å; S101-K104 WeakPolarHBondContact O-CB 3.4Å; S101-K104 PolarHBondContact O-N 3.41Å; S101-K104 VanDerWaalsContact O-N 3.1Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.24Å; K104-T107 PolarHBondContact O-N 3.16Å; K104-Q108 WeakPolarHBondContact O-CG 3.46Å; K104-Q108 PolarHBondContact O-N 3.43Å |
| 105 | E | 97 | Very high | 95 | Very high | 113 Ų | 113 | 106.6 Ų | 106.6 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 175.3 | -71.6 | 169.3 | -142.8 | 0 | 0 | 112 | S101 Q102 T107 Q108 L109 | S101-E105 PolarHBondContact O-N 2.95Å; S101-E105 PolarHBondContact OG-OE1 3.44Å; Q102-E105 PolarHBondContact O-N 3.02Å; E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 3.29Å; E105-Q108 PolarHBondContact O-N 3.17Å; E105-L109 WeakPolarHBondContact O-CB 3.27Å; E105-L109 PolarHBondContact O-N 3.04Å |
| 106 | L | 95.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 175 | -74.2 | 171.7 | 0 | 0 | 0 | 112.4 | Q102 A103 L109 R110 | Q102-L106 HydrophobicContact CG-CD1 4.49Å; Q102-L106 WeakPolarHBondContact O-CB 3.28Å; Q102-L106 WeakPolarHBondContact O-CG 3.42Å; Q102-L106 PolarHBondContact O-N 3.05Å; A103-L106 PolarHBondContact O-N 3.12Å; L106-L109 PolarHBondContact O-N 3.45Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 VanDerWaalsContact O-CG 3.27Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.18Å |
| 107 | T | 96.2 | Very high | 94.5 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 174.1 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | A103 K104 E105 L109 R110 E111 | A103-T107 PolarHBondContact O-N 2.94Å; A103-T107 PolarHBondContact O-OG1 3.44Å; A103-T107 VanDerWaalsContact O-OG1 3.11Å; K104-T107 PolarHBondContact O-N 3.16Å; E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 3.29Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 2.9Å; T107-R110 PolarHBondContact O-N 3.24Å; T107-E111 PolarHBondContact O-N 3Å |
| 108 | Q | 96.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -36.1 | 175.5 | -70.2 | 178.1 | -13.8 | 0 | 0 | 112.7 | K104 E105 E111 K112 | K104-Q108 WeakPolarHBondContact O-CG 3.46Å; K104-Q108 PolarHBondContact O-N 3.43Å; E105-Q108 PolarHBondContact O-N 3.17Å; Q108-E111 PolarHBondContact O-N 3.46Å; Q108-K112 WeakPolarHBondContact O-CG 3.31Å; Q108-K112 PolarHBondContact O-N 3.41Å |
| 109 | L | 95.1 | Very high | 93.9 | Very high | 112 Ų | 112 | 95 Ų | 95 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.2 | -38.6 | 175.6 | -175.3 | 62.3 | 0 | 0 | 0 | 112 | E105 L106 T107 L113 | E105-L109 WeakPolarHBondContact O-CB 3.27Å; E105-L109 PolarHBondContact O-N 3.04Å; L106-L109 PolarHBondContact O-N 3.45Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 2.9Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 3.45Å |
| 110 | R | 93.6 | Very high | 93.5 | Very high | 170 Ų | 170 | 92.3 Ų | 92.3 | 64% | 0.642 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.2 | -36 | 174.5 | -75.1 | 167.2 | 171.7 | 164.2 | -4.3 | 112.4 | L106 T107 R114 | L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 VanDerWaalsContact O-CG 3.27Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.18Å; T107-R110 PolarHBondContact O-N 3.24Å; R110-R114 PolarHBondContact O-N 2.93Å; R110-R114 VanDerWaalsContact O-N 3.14Å |
| 111 | E | 95.1 | Very high | 93.2 | Very high | 109 Ų | 109 | 93.2 Ų | 93.2 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.5 | -54 | 173.1 | -176.6 | 168.8 | -127.3 | 0 | 0 | 110.9 | T107 Q108 L113 R114 E115 | T107-E111 PolarHBondContact O-N 3Å; Q108-E111 PolarHBondContact O-N 3.46Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.38Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.19Å; E111-R114 VanDerWaalsContact O-CB 3.24Å; E111-R114 WeakPolarHBondContact O-CB 3.29Å; E111-R114 PolarHBondContact O-N 2.76Å; E111-E115 PolarHBondContact O-N 3Å |
| 112 | K | 94.8 | Very high | 93.1 | Very high | 140 Ų | 140 | 98.9 Ų | 98.9 | 61% | 0.609 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.3 | -33.9 | 176.4 | -72.5 | -179.2 | 177.4 | -178.2 | 0 | 114.1 | Q108 R114 G116 | Q108-K112 WeakPolarHBondContact O-CG 3.31Å; Q108-K112 PolarHBondContact O-N 3.41Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-G116 PolarHBondContact O-N 3.21Å |
| 113 | L | 91.1 | Very high | 92.7 | Very high | 70 Ų | 70 | 97.1 Ų | 97.1 | 37% | 0.366 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.5 | -34.3 | 174.8 | -167.9 | 149.4 | 0 | 0 | 0 | 111.5 | L109 E111 R117 | L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 3.45Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.38Å; L113-R117 PolarHBondContact O-N 2.92Å |
| 114 | R | 91.8 | Very high | 92.3 | Very high | 151 Ų | 151 | 96.4 Ų | 96.4 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.3 | -49.1 | 172.8 | -165.5 | -170.4 | -46.5 | -148.1 | 3.4 | 111.3 | R110 E111 K112 G116 R117 D118 | R110-R114 PolarHBondContact O-N 2.93Å; R110-R114 VanDerWaalsContact O-N 3.14Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.19Å; E111-R114 VanDerWaalsContact O-CB 3.24Å; E111-R114 WeakPolarHBondContact O-CB 3.29Å; E111-R114 PolarHBondContact O-N 2.76Å; K112-R114 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 2.98Å; R114-R117 WeakPolarHBondContact O-CA 3.47Å; R114-R117 WeakPolarHBondContact O-CB 3.24Å; R114-R117 PolarHBondContact O-N 3.11Å; R114-R117 VanDerWaalsContact O-N 3.07Å; R114-D118 WeakPolarHBondContact O-CB 3.33Å; R114-D118 PolarHBondContact O-N 3.06Å |
| 115 | E | 91.9 | Very high | 91.9 | Very high | 114 Ų | 114 | 97 Ų | 97 | 53% | 0.533 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.5 | -42.7 | 173.4 | -65.2 | 173.2 | 160.6 | 0 | 0 | 111.5 | E111 D118 A119 | E111-E115 PolarHBondContact O-N 3Å; E115-D118 PolarHBondContact O-N 3.5Å; E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 2.93Å |
| 116 | G | 90.3 | Very high | 91.5 | Very high | 32 Ų | 32 | 95.5 Ų | 95.5 | 33% | 0.33 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | K112 R114 S120 | K112-G116 PolarHBondContact O-N 3.21Å; R114-G116 PolarHBondContact O-N 2.98Å; G116-S120 WeakPolarHBondContact O-CB 3.39Å; G116-S120 PolarHBondContact O-N 3.48Å |
| 117 | R | 88.4 | Confident | 91 | Very high | 66 Ų | 66 | 92.5 Ų | 92.5 | 25% | 0.249 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 170.1 | -89.9 | -161.8 | -73.9 | -125.5 | 20.9 | 111.2 | L113 R114 S120 R121 L162 | L113-R117 PolarHBondContact O-N 2.92Å; R114-R117 WeakPolarHBondContact O-CA 3.47Å; R114-R117 WeakPolarHBondContact O-CB 3.24Å; R114-R117 PolarHBondContact O-N 3.11Å; R114-R117 VanDerWaalsContact O-N 3.07Å; R117-S120 WeakPolarHBondContact O-CB 3.33Å; R117-S120 PolarHBondContact O-N 3.49Å; R117-S120 VanDerWaalsContact O-N 3.12Å; R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.24Å; R117-L162 WeakPolarHBondContact CD-O 3.36Å; R117-L162 HydrophobicContact CG-CB 3.46Å; R117-L162 VanDerWaalsContact CG-CB 3.46Å; R117-L162 HydrophobicContact CG-CD1 4.5Å; R117-L162 PolarHBondContact NH1-O 3.39Å |
| 118 | D | 89.5 | Confident | 90.5 | Very high | 64 Ų | 64 | 95 Ų | 95 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | -171.4 | -61.9 | -8.4 | 0 | 0 | 0 | 110.7 | R114 E115 R121 W122 | R114-D118 WeakPolarHBondContact O-CB 3.33Å; R114-D118 PolarHBondContact O-N 3.06Å; E115-D118 PolarHBondContact O-N 3.5Å; D118-R121 PolarHBondContact O-N 3.41Å; D118-R121 IonicContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NE 3.71Å; D118-R121 IonicContact OD1-NH2 3.94Å; D118-R121 PolarHBondContact OD1-NH2 3.33Å; D118-W122 WeakPolarHBondContact O-CB 3.42Å; D118-W122 PolarHBondContact O-N 3.04Å |
| 119 | A | 90.6 | Very high | 90 | Very high | 60 Ų | 60 | 94.3 Ų | 94.3 | 50% | 0.496 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E115 W122 L123 | E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 2.93Å; A119-W122 PolarHBondContact O-N 3.39Å; A119-L123 WeakPolarHBondContact O-CB 3.49Å; A119-L123 PolarHBondContact O-N 3.43Å |
| 120 | S | 87.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 93.3 Ų | 93.3 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 176.6 | -165.4 | 0 | 0 | 0 | 0 | 112.4 | G116 R117 L123 N124 A155 L158 V159 | G116-S120 WeakPolarHBondContact O-CB 3.39Å; G116-S120 PolarHBondContact O-N 3.48Å; R117-S120 WeakPolarHBondContact O-CB 3.33Å; R117-S120 PolarHBondContact O-N 3.49Å; R117-S120 VanDerWaalsContact O-N 3.12Å; S120-L123 PolarHBondContact O-N 2.77Å; S120-N124 WeakPolarHBondContact O-CB 3.37Å; S120-N124 PolarHBondContact O-N 2.98Å; S120-A155 PolarHBondContact OG-O 2.98Å; S120-L158 WeakPolarHBondContact OG-CB 3.37Å; S120-L158 WeakPolarHBondContact OG-CD2 3.46Å; S120-L158 WeakPolarHBondContact OG-CG 3.24Å; S120-V159 WeakPolarHBondContact OG-CG2 3.49Å; S120-V159 PolarHBondContact OG-N 3.35Å |
| 121 | R | 89.4 | Confident | 88.4 | Confident | 137 Ų | 137 | 88.1 Ų | 88.1 | 52% | 0.517 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 174.9 | -69.5 | -173.8 | -61.7 | 135.4 | -6.1 | 111.4 | R117 D118 N124 K125 V159 | R117-R121 WeakPolarHBondContact O-CG 3.49Å; R117-R121 PolarHBondContact O-N 3.24Å; D118-R121 PolarHBondContact O-N 3.41Å; D118-R121 IonicContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NE 3.71Å; D118-R121 IonicContact OD1-NH2 3.94Å; D118-R121 PolarHBondContact OD1-NH2 3.33Å; R121-N124 PolarHBondContact O-N 3.24Å; R121-K125 WeakPolarHBondContact O-CB 3.46Å; R121-K125 PolarHBondContact O-N 3.17Å; R121-V159 HydrophobicContact CG-CG1 4.11Å; R121-V159 HydrophobicContact CG-CG2 3.95Å |
| 122 | W | 91.7 | Very high | 87.3 | Confident | 175 Ų | 175 | 86.3 Ų | 86.3 | 66% | 0.663 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | 174.9 | -175.9 | 90.4 | 0 | 0 | 0 | 112.1 | D118 A119 K125 H126 | D118-W122 WeakPolarHBondContact O-CB 3.42Å; D118-W122 PolarHBondContact O-N 3.04Å; A119-W122 PolarHBondContact O-N 3.39Å; W122-K125 PolarHBondContact O-N 3.34Å; W122-H126 WeakPolarHBondContact O-CB 3.3Å; W122-H126 PolarHBondContact O-N 2.95Å |
| 123 | L | 89.1 | Confident | 86.1 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 40% | 0.398 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 177 | 177.1 | 62.9 | 0 | 0 | 0 | 111.5 | A119 S120 H126 L127 A155 | A119-L123 WeakPolarHBondContact O-CB 3.49Å; A119-L123 PolarHBondContact O-N 3.43Å; S120-L123 PolarHBondContact O-N 2.77Å; L123-H126 PolarHBondContact O-N 3.29Å; L123-L127 HydrophobicContact CD1-CD1 3.84Å; L123-L127 HydrophobicContact CD1-CG 4.09Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.94Å; L123-A155 HydrophobicContact CD2-CB 4.25Å; L123-A155 HydrophobicContact CG-CB 4.22Å |
| 124 | N | 86.8 | Confident | 84.8 | Confident | 32 Ų | 32 | 88.4 Ų | 88.4 | 17% | 0.171 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.2 | -51.3 | 175.8 | 170.3 | -99.5 | 0 | 0 | 0 | 111.4 | S120 R121 H126 L127 K128 H152 A155 E156 V159 | S120-N124 WeakPolarHBondContact O-CB 3.37Å; S120-N124 PolarHBondContact O-N 2.98Å; R121-N124 PolarHBondContact O-N 3.24Å; N124-H126 VanDerWaalsContact C-N 3.29Å; N124-H126 PolarHBondContact O-N 2.91Å; N124-L127 PolarHBondContact O-N 3.14Å; N124-K128 WeakPolarHBondContact O-CB 3.47Å; N124-K128 PolarHBondContact O-N 2.96Å; N124-H152 PolarHBondContact ND2-NE2 3.09Å; N124-A155 HydrophobicContact CB-CB 4.06Å; N124-E156 WeakPolarHBondContact ND2-CG 3.29Å; N124-V159 HydrophobicContact CB-CG2 4.41Å |
| 125 | K | 89.3 | Confident | 83.2 | Confident | 154 Ų | 154 | 87 Ų | 87 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57 | -42.8 | 177.7 | -175.7 | 170 | -176.7 | 167.4 | 0 | 111.8 | R121 W122 K128 T129 | R121-K125 WeakPolarHBondContact O-CB 3.46Å; R121-K125 PolarHBondContact O-N 3.17Å; W122-K125 PolarHBondContact O-N 3.34Å; K125-K128 PolarHBondContact O-N 3.28Å; K125-T129 PolarHBondContact O-N 2.94Å; K125-T129 PolarHBondContact O-OG1 3.34Å |
| 126 | H | 87.9 | Confident | 81.5 | Confident | 80 Ų | 80 | 86 Ų | 86 | 37% | 0.37 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 178.9 | -172.1 | 41.7 | 0 | 0 | 0 | 112.4 | W122 L123 N124 K128 T129 L130 | W122-H126 WeakPolarHBondContact O-CB 3.3Å; W122-H126 PolarHBondContact O-N 2.95Å; L123-H126 PolarHBondContact O-N 3.29Å; N124-H126 VanDerWaalsContact C-N 3.29Å; N124-H126 PolarHBondContact O-N 2.91Å; H126-K128 VanDerWaalsContact C-N 3.29Å; H126-K128 PolarHBondContact O-N 2.91Å; H126-T129 WeakPolarHBondContact CA-OG1 3.46Å; H126-T129 PolarHBondContact O-N 2.88Å; H126-T129 PolarHBondContact O-OG1 3.38Å; H126-L130 WeakPolarHBondContact O-CG 3.43Å; H126-L130 PolarHBondContact O-N 3.07Å |
| 127 | L | 85.1 | Confident | 79.8 | Confident | 19 Ų | 19 | 89.6 Ų | 89.6 | 10% | 0.099 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62 | -37.5 | 175 | -69.9 | 168.8 | 0 | 0 | 0 | 111.7 | L123 N124 L130 L131 L148 H152 A155 | L123-L127 HydrophobicContact CD1-CD1 3.84Å; L123-L127 HydrophobicContact CD1-CG 4.09Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 2.94Å; N124-L127 PolarHBondContact O-N 3.14Å; L127-L130 PolarHBondContact O-N 2.96Å; L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 WeakPolarHBondContact O-CD1 3.43Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 3.23Å; L127-L148 HydrophobicContact CD2-CD2 3.65Å; L127-H152 HydrophobicContact CB-CB 4.16Å; L127-A155 HydrophobicContact CD1-CB 4.03Å |
| 128 | K | 84.5 | Confident | 78.4 | Confident | 135 Ų | 135 | 96.1 Ų | 96.1 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 173.7 | -165.3 | 172.8 | -179.8 | 177.9 | 0 | 111 | N124 K125 H126 L130 L131 T132 | N124-K128 WeakPolarHBondContact O-CB 3.47Å; N124-K128 PolarHBondContact O-N 2.96Å; K125-K128 PolarHBondContact O-N 3.28Å; H126-K128 VanDerWaalsContact C-N 3.29Å; H126-K128 PolarHBondContact O-N 2.91Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 3.25Å; K128-L131 PolarHBondContact O-N 2.89Å; K128-T132 PolarHBondContact O-N 3.36Å; K128-T132 VanDerWaalsContact O-N 3.1Å; K128-T132 PolarHBondContact O-OG1 3.21Å |
| 129 | T | 85.8 | Confident | 76.8 | Confident | 82 Ų | 82 | 97.6 Ų | 97.6 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | K125 H126 L131 T132 | K125-T129 PolarHBondContact O-N 2.94Å; K125-T129 PolarHBondContact O-OG1 3.34Å; H126-T129 WeakPolarHBondContact CA-OG1 3.46Å; H126-T129 PolarHBondContact O-N 2.88Å; H126-T129 PolarHBondContact O-OG1 3.38Å; T129-L131 VanDerWaalsContact C-N 3.31Å; T129-T132 WeakPolarHBondContact O-CB 3.5Å; T129-T132 PolarHBondContact O-N 3.46Å |
| 130 | L | 80.5 | Confident | 75.3 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.6 | -20 | 175.5 | -68.4 | 173.8 | 0 | 0 | 0 | 113.2 | H126 L127 K128 L148 | H126-L130 WeakPolarHBondContact O-CG 3.43Å; H126-L130 PolarHBondContact O-N 3.07Å; L127-L130 PolarHBondContact O-N 2.96Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 3.25Å; L130-L148 HydrophobicContact CD1-CD2 4.21Å |
| 131 | L | 75 | Confident | 74.3 | Confident | 60 Ų | 60 | 102.8 Ų | 102.8 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -89.3 | -15.2 | 174.1 | -72.6 | 163.4 | 0 | 0 | 0 | 112.7 | L127 K128 T129 L148 A149 H152 | L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 WeakPolarHBondContact O-CD1 3.43Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 3.23Å; K128-L131 PolarHBondContact O-N 2.89Å; T129-L131 VanDerWaalsContact C-N 3.31Å; L131-L148 HydrophobicContact CD2-CB 4.13Å; L131-A149 HydrophobicContact CD2-CB 4.08Å; L131-H152 HydrophobicContact CD1-CB 3.51Å |
| 132 | T | 73.4 | Confident | 73.4 | Confident | 72 Ų | 72 | 104.2 Ų | 104.2 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -64 | 124 | 173.1 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | K128 T129 D134 | K128-T132 PolarHBondContact O-N 3.36Å; K128-T132 VanDerWaalsContact O-N 3.1Å; K128-T132 PolarHBondContact O-OG1 3.21Å; T129-T132 WeakPolarHBondContact O-CB 3.5Å; T129-T132 PolarHBondContact O-N 3.46Å; T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 3.3Å |
| 133 | P | 68.5 | Low | 72.8 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 66% | 0.656 | 53% | 0.533 | S | S | * | . | trans | -85.2 | 62.1 | -164.4 | 34.8 | -38 | 0 | 0 | 0 | 114.1 | ||||
| 134 | D | 63.1 | Low | 72.3 | Confident | 153 Ų | 153 | 100.7 Ų | 100.7 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | trans | -84.5 | -7.4 | -174.9 | -90.1 | -17.5 | 0 | 0 | 0 | 116.2 | T132 | T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 3.3Å | ||
| 135 | D | 58.1 | Low | 72 | Confident | 120 Ų | 120 | 105 Ų | 105 | 64% | 0.642 | 55% | 0.546 | S | S | * | . | trans | -147.6 | 120.2 | 165 | -154.9 | -23.5 | 0 | 0 | 0 | 112.3 | D137 R145 | D135-D137 VanDerWaalsContact C-N 3.26Å; D135-D137 PolarHBondContact O-N 3.45Å; D135-R145 PolarHBondContact O-NH2 3.21Å | ||
| 136 | P | 58.1 | Low | 71.6 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | trans | -86.1 | 51.7 | 176.6 | 37.4 | -37.7 | 0 | 0 | 0 | 112.2 | K138 | P136-K138 VanDerWaalsContact O-CG 3.23Å; P136-K138 WeakPolarHBondContact O-CG 3.34Å; P136-K138 PolarHBondContact O-N 3.21Å | ||
| 137 | D | 54.2 | Low | 71.5 | Confident | 106 Ų | 106 | 105 Ų | 105 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | trans | -72.9 | 96.6 | 166.8 | -158 | -25.9 | 0 | 0 | 0 | 109.4 | D135 S139 | D135-D137 VanDerWaalsContact C-N 3.26Å; D135-D137 PolarHBondContact O-N 3.45Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 PolarHBondContact OD1-OG 2.89Å | ||
| 138 | K | 57.9 | Low | 71.5 | Confident | 203 Ų | 203 | 106.8 Ų | 106.8 | 88% | 0.883 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 15.6 | -166.3 | -54.9 | -176.5 | -179.9 | 173.3 | 0 | 114.5 | P136 | P136-K138 VanDerWaalsContact O-CG 3.23Å; P136-K138 WeakPolarHBondContact O-CG 3.34Å; P136-K138 PolarHBondContact O-N 3.21Å |
| 139 | S | 57.3 | Low | 71.4 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -23.7 | -171.9 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | D137 G141 | D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 PolarHBondContact OD1-OG 2.89Å; S139-G141 PolarHBondContact O-N 2.78Å; S139-G141 VanDerWaalsContact O-N 3.13Å |
| 140 | Q | 58.3 | Low | 71.5 | Confident | 142 Ų | 142 | 103.2 Ų | 103.2 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -87 | 87.1 | 179.5 | -167.3 | 162.6 | -7.3 | 0 | 0 | 112.1 | L144 | Q140-L144 HydrophobicContact CG-CD1 3.89Š|
| 141 | G | 65.6 | Low | 71.8 | Confident | 31 Ų | 31 | 100 Ų | 100 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | trans | 38.1 | 101.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | S139 D143 L144 R145 | S139-G141 PolarHBondContact O-N 2.78Å; S139-G141 VanDerWaalsContact O-N 3.13Å; G141-D143 PolarHBondContact O-N 3Å; G141-L144 WeakPolarHBondContact O-CB 3.42Å; G141-L144 PolarHBondContact O-N 3.06Å; G141-R145 PolarHBondContact O-N 3.17Å | ||
| 142 | Q | 72.4 | Confident | 72.3 | Confident | 167 Ų | 167 | 98.2 Ų | 98.2 | 78% | 0.78 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.5 | -34.3 | 169.6 | -172.1 | 158.4 | -16 | 0 | 0 | 112.4 | L144 R145 E146 | Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.12Å; Q142-R145 PolarHBondContact O-N 3.28Å; Q142-E146 WeakPolarHBondContact O-CB 3.39Å; Q142-E146 PolarHBondContact O-N 3.45Å |
| 143 | D | 77.6 | Confident | 73.1 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.7 | -40.5 | 169.6 | 177.5 | 57.2 | 0 | 0 | 0 | 113.3 | G141 E146 Q147 | G141-D143 PolarHBondContact O-N 3Å; D143-E146 PolarHBondContact O-N 3.47Å; D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.21Å; D143-Q147 PolarHBondContact O-N 3.19Å; D143-Q147 PolarHBondContact OD1-NE2 3.49Å; D143-Q147 PolarHBondContact OD2-NE2 3.35Å |
| 144 | L | 78.5 | Confident | 74 | Confident | 74 Ų | 74 | 102.7 Ų | 102.7 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 176.4 | -66 | 172.3 | 0 | 0 | 0 | 112.1 | Q140 G141 Q142 L148 | Q140-L144 HydrophobicContact CG-CD1 3.89Å; G141-L144 WeakPolarHBondContact O-CB 3.42Å; G141-L144 PolarHBondContact O-N 3.06Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.12Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.29Å |
| 145 | R | 80.4 | Confident | 75.2 | Confident | 122 Ų | 122 | 95.6 Ų | 95.6 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 174.3 | -67.6 | -172.4 | -178.7 | -123.3 | 1.8 | 111.4 | D135 G141 Q142 L148 A149 | D135-R145 PolarHBondContact O-NH2 3.21Å; G141-R145 PolarHBondContact O-N 3.17Å; Q142-R145 PolarHBondContact O-N 3.28Å; R145-L148 PolarHBondContact O-N 3.25Å; R145-A149 WeakPolarHBondContact O-CB 3.36Å; R145-A149 PolarHBondContact O-N 3.49Å |
| 146 | E | 82.7 | Confident | 76.4 | Confident | 137 Ų | 137 | 93.4 Ų | 93.4 | 64% | 0.64 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | 175.4 | -169.1 | 162 | -163.6 | 0 | 0 | 111.5 | Q142 D143 L148 A149 E150 | Q142-E146 WeakPolarHBondContact O-CB 3.39Å; Q142-E146 PolarHBondContact O-N 3.45Å; D143-E146 PolarHBondContact O-N 3.47Å; E146-L148 PolarHBondContact O-N 2.93Å; E146-A149 PolarHBondContact O-N 2.62Å; E146-E150 WeakPolarHBondContact O-CB 3.44Å; E146-E150 PolarHBondContact O-N 2.83Å |
| 147 | Q | 85 | Confident | 77.8 | Confident | 99 Ų | 99 | 94.6 Ų | 94.6 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 172.6 | -72.7 | 166.6 | 21.2 | 0 | 0 | 112.9 | D143 G151 | D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.21Å; D143-Q147 PolarHBondContact O-N 3.19Å; D143-Q147 PolarHBondContact OD1-NE2 3.49Å; D143-Q147 PolarHBondContact OD2-NE2 3.35Å; Q147-G151 PolarHBondContact O-N 2.96Å |
| 148 | L | 84.6 | Confident | 79.3 | Confident | 56 Ų | 56 | 93.3 Ų | 93.3 | 29% | 0.293 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 173.7 | -78.1 | 166 | 0 | 0 | 0 | 112.1 | L127 L130 L131 L144 R145 E146 G151 H152 | L127-L148 HydrophobicContact CD2-CD2 3.65Å; L130-L148 HydrophobicContact CD1-CD2 4.21Å; L131-L148 HydrophobicContact CD2-CB 4.13Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.29Å; R145-L148 PolarHBondContact O-N 3.25Å; E146-L148 PolarHBondContact O-N 2.93Å; L148-G151 PolarHBondContact O-N 3.29Å; L148-H152 WeakPolarHBondContact O-CB 3.35Å; L148-H152 PolarHBondContact O-N 3.27Å |
| 149 | A | 83.4 | Confident | 80.6 | Confident | 39 Ų | 39 | 85 Ų | 85 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L131 R145 E146 H152 R153 | L131-A149 HydrophobicContact CD2-CB 4.08Å; R145-A149 WeakPolarHBondContact O-CB 3.36Å; R145-A149 PolarHBondContact O-N 3.49Å; E146-A149 PolarHBondContact O-N 2.62Å; A149-H152 PolarHBondContact O-N 3.39Å; A149-R153 PolarHBondContact O-N 3.02Å; A149-R153 VanDerWaalsContact O-N 3.08Å |
| 150 | E | 87.1 | Confident | 81.9 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 171.3 | -176.4 | 164.1 | -137 | 0 | 0 | 111.4 | E146 H152 R153 L154 | E146-E150 WeakPolarHBondContact O-CB 3.44Å; E146-E150 PolarHBondContact O-N 2.83Å; E150-H152 VanDerWaalsContact C-N 3.29Å; E150-H152 PolarHBondContact O-N 2.68Å; E150-R153 PolarHBondContact O-N 2.79Å; E150-L154 HydrophobicContact CG-CD1 4.17Å; E150-L154 HydrophobicContact CG-CG 4.5Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 3.3Å |
| 151 | G | 87.6 | Confident | 83.1 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -56.4 | -41.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q147 L148 L154 A155 | Q147-G151 PolarHBondContact O-N 2.96Å; L148-G151 PolarHBondContact O-N 3.29Å; G151-L154 PolarHBondContact O-N 3.11Å; G151-A155 WeakPolarHBondContact O-CB 3.44Å; G151-A155 PolarHBondContact O-N 2.93Å |
| 152 | H | 85.9 | Confident | 83.9 | Confident | 23 Ų | 23 | 87.3 Ų | 87.3 | 11% | 0.106 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.8 | -50.6 | 176 | -178 | -91.6 | 0 | 0 | 0 | 111.6 | N124 L127 L131 L148 A149 E150 L154 A155 E156 | N124-H152 PolarHBondContact ND2-NE2 3.09Å; L127-H152 HydrophobicContact CB-CB 4.16Å; L131-H152 HydrophobicContact CD1-CB 3.51Å; L148-H152 WeakPolarHBondContact O-CB 3.35Å; L148-H152 PolarHBondContact O-N 3.27Å; A149-H152 PolarHBondContact O-N 3.39Å; E150-H152 VanDerWaalsContact C-N 3.29Å; E150-H152 PolarHBondContact O-N 2.68Å; H152-L154 VanDerWaalsContact C-N 3.25Å; H152-L154 PolarHBondContact O-N 3.47Å; H152-A155 PolarHBondContact O-N 2.89Å; H152-A155 VanDerWaalsContact O-N 3.08Å; H152-E156 IonicContact CE1-OE1 3.55Å; H152-E156 PolarHBondContact CE1-OE1 2.93Å; H152-E156 IonicContact CE1-OE2 2.68Å; H152-E156 PolarHBondContact CE1-OE2 3.12Å; H152-E156 IonicContact ND1-OE1 3.5Å; H152-E156 IonicContact ND1-OE2 3.61Å; H152-E156 PolarHBondContact ND1-OE2 2.86Å; H152-E156 WeakPolarHBondContact O-CG 3.23Å; H152-E156 PolarHBondContact O-N 3.43Å |
| 153 | R | 88.9 | Confident | 84.2 | Confident | 159 Ų | 159 | 82 Ų | 82 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -56.3 | -38.9 | 175.5 | -79.1 | 171.3 | 54.3 | -121.6 | -6 | 112.5 | A149 E150 H157 | A149-R153 PolarHBondContact O-N 3.02Å; A149-R153 VanDerWaalsContact O-N 3.08Å; E150-R153 PolarHBondContact O-N 2.79Å; R153-H157 WeakPolarHBondContact O-CB 3.46Å; R153-H157 PolarHBondContact O-N 3.45Å |
| 154 | L | 88.3 | Confident | 83.5 | Confident | 107 Ų | 107 | 81.6 Ų | 81.6 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.9 | -39.1 | 176.5 | -69.9 | 172.8 | 0 | 0 | 0 | 112.1 | E150 G151 H152 H157 L158 | E150-L154 HydrophobicContact CG-CD1 4.17Å; E150-L154 HydrophobicContact CG-CG 4.5Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 3.3Å; G151-L154 PolarHBondContact O-N 3.11Å; H152-L154 VanDerWaalsContact C-N 3.25Å; H152-L154 PolarHBondContact O-N 3.47Å; L154-H157 PolarHBondContact O-N 3.17Å; L154-L158 WeakPolarHBondContact O-CB 3.35Å; L154-L158 PolarHBondContact O-N 3.03Å |
| 155 | A | 86.8 | Confident | 82.3 | Confident | 4 Ų | 4 | 86.5 Ų | 86.5 | 3% | 0.033 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S120 L123 N124 L127 G151 H152 L158 V159 | S120-A155 PolarHBondContact OG-O 2.98Å; L123-A155 HydrophobicContact CD2-CB 4.25Å; L123-A155 HydrophobicContact CG-CB 4.22Å; N124-A155 HydrophobicContact CB-CB 4.06Å; L127-A155 HydrophobicContact CD1-CB 4.03Å; G151-A155 WeakPolarHBondContact O-CB 3.44Å; G151-A155 PolarHBondContact O-N 2.93Å; H152-A155 PolarHBondContact O-N 2.89Å; H152-A155 VanDerWaalsContact O-N 3.08Å; A155-L158 PolarHBondContact O-N 3.42Å; A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.37Å |
| 156 | E | 84.7 | Confident | 80.6 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 170.9 | -71.7 | -180 | 131.4 | 0 | 0 | 110.8 | N124 H152 L158 V159 H160 | N124-E156 WeakPolarHBondContact ND2-CG 3.29Å; H152-E156 IonicContact CE1-OE1 3.55Å; H152-E156 PolarHBondContact CE1-OE1 2.93Å; H152-E156 IonicContact CE1-OE2 2.68Å; H152-E156 PolarHBondContact CE1-OE2 3.12Å; H152-E156 IonicContact ND1-OE1 3.5Å; H152-E156 IonicContact ND1-OE2 3.61Å; H152-E156 PolarHBondContact ND1-OE2 2.86Å; H152-E156 WeakPolarHBondContact O-CG 3.23Å; H152-E156 PolarHBondContact O-N 3.43Å; E156-L158 PolarHBondContact O-N 3.44Å; E156-V159 PolarHBondContact O-N 3.02Å; E156-V159 VanDerWaalsContact O-N 3.1Å; E156-H160 PolarHBondContact O-N 3.19Å; E156-H160 PolarHBondContact O-ND1 3.44Å |
| 157 | H | 86.9 | Confident | 79 | Confident | 120 Ų | 120 | 88.2 Ų | 88.2 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62 | -30.6 | 180 | -167.6 | 45.9 | 0 | 0 | 0 | 112.7 | R153 L154 K161 | R153-H157 WeakPolarHBondContact O-CB 3.46Å; R153-H157 PolarHBondContact O-N 3.45Å; L154-H157 PolarHBondContact O-N 3.17Å; H157-K161 PolarHBondContact CD2-NZ 3.48Å; H157-K161 VanDerWaalsContact CD2-NZ 3.3Å; H157-K161 WeakPolarHBondContact O-CB 3.43Å; H157-K161 VanDerWaalsContact O-CG 3.3Å; H157-K161 WeakPolarHBondContact O-CG 3.5Å; H157-K161 PolarHBondContact O-N 3.4Å |
| 158 | L | 86.6 | Confident | 77.3 | Confident | 79 Ų | 79 | 92.6 Ų | 92.6 | 41% | 0.414 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.3 | -39.4 | 173.7 | -174.6 | 62.3 | 0 | 0 | 0 | 112.2 | S120 L154 A155 E156 K161 L162 | S120-L158 WeakPolarHBondContact OG-CB 3.37Å; S120-L158 WeakPolarHBondContact OG-CD2 3.46Å; S120-L158 WeakPolarHBondContact OG-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CB 3.35Å; L154-L158 PolarHBondContact O-N 3.03Å; A155-L158 PolarHBondContact O-N 3.42Å; E156-L158 PolarHBondContact O-N 3.44Å; L158-K161 PolarHBondContact O-N 2.95Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CG 4.08Å; L158-L162 HydrophobicContact CG-CD1 3.84Å; L158-L162 HydrophobicContact CG-CG 4.46Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 2.94Å; L158-L162 VanDerWaalsContact O-N 3.17Å |
| 159 | V | 85.4 | Confident | 75.4 | Confident | 29 Ų | 29 | 97.3 Ų | 97.3 | 18% | 0.176 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -58.3 | -54.4 | 172.2 | 172.8 | 0 | 0 | 0 | 0 | 110 | S120 R121 N124 A155 E156 K161 L162 S163 | S120-V159 WeakPolarHBondContact OG-CG2 3.49Å; S120-V159 PolarHBondContact OG-N 3.35Å; R121-V159 HydrophobicContact CG-CG1 4.11Å; R121-V159 HydrophobicContact CG-CG2 3.95Å; N124-V159 HydrophobicContact CB-CG2 4.41Å; A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.37Å; E156-V159 PolarHBondContact O-N 3.02Å; E156-V159 VanDerWaalsContact O-N 3.1Å; V159-K161 VanDerWaalsContact C-N 3.3Å; V159-K161 PolarHBondContact O-N 3.4Å; V159-L162 PolarHBondContact O-N 3.1Å; V159-S163 PolarHBondContact O-N 2.88Å; V159-S163 PolarHBondContact O-OG 2.92Å |
| 160 | H | 82.9 | Confident | 74 | Confident | 133 Ų | 133 | 104.6 Ų | 104.6 | 62% | 0.616 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.2 | -38 | -178.8 | -68.9 | 85.1 | 0 | 0 | 0 | 113.1 | E156 L162 | E156-H160 PolarHBondContact O-N 3.19Å; E156-H160 PolarHBondContact O-ND1 3.44Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 3.1Å |
| 161 | K | 84.8 | Confident | 72.1 | Confident | 138 Ų | 138 | 106.8 Ų | 106.8 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.5 | -21.6 | 177 | -79 | 179.1 | -174.7 | 170.5 | 0 | 115.1 | H157 L158 V159 | H157-K161 PolarHBondContact CD2-NZ 3.48Å; H157-K161 VanDerWaalsContact CD2-NZ 3.3Å; H157-K161 WeakPolarHBondContact O-CB 3.43Å; H157-K161 VanDerWaalsContact O-CG 3.3Å; H157-K161 WeakPolarHBondContact O-CG 3.5Å; H157-K161 PolarHBondContact O-N 3.4Å; L158-K161 PolarHBondContact O-N 2.95Å; V159-K161 VanDerWaalsContact C-N 3.3Å; V159-K161 PolarHBondContact O-N 3.4Å |
| 162 | L | 80.8 | Confident | 70.5 | Confident | 44 Ų | 44 | 115 Ų | 115 | 23% | 0.23 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -101.2 | -20.9 | -177.7 | -65.6 | 176.6 | 0 | 0 | 0 | 112 | R117 L158 V159 H160 | R117-L162 WeakPolarHBondContact CD-O 3.36Å; R117-L162 HydrophobicContact CG-CB 3.46Å; R117-L162 VanDerWaalsContact CG-CB 3.46Å; R117-L162 HydrophobicContact CG-CD1 4.5Å; R117-L162 PolarHBondContact NH1-O 3.39Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CG 4.08Å; L158-L162 HydrophobicContact CG-CD1 3.84Å; L158-L162 HydrophobicContact CG-CG 4.46Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 2.94Å; L158-L162 VanDerWaalsContact O-N 3.17Å; V159-L162 PolarHBondContact O-N 3.1Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 3.1Å |
| 163 | S | 80.4 | Confident | 68.8 | Low | 56 Ų | 56 | 121.9 Ų | 121.9 | 39% | 0.392 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -53.6 | 145.2 | 164.3 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | V159 E165 | V159-S163 PolarHBondContact O-N 2.88Å; V159-S163 PolarHBondContact O-OG 2.92Å; S163-E165 PolarHBondContact O-N 3.07Å |
| 164 | P | 62.7 | Low | 67.4 | Low | 94 Ų | 94 | 122.6 Ų | 122.6 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | trans | -70.6 | 124 | 172.8 | 31 | -29 | 0 | 0 | 0 | 108.7 | N166 | P164-N166 VanDerWaalsContact C-N 3.26Å; P164-N166 PolarHBondContact O-N 3.12Å | ||
| 165 | E | 52.3 | Low | 65.5 | Low | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | trans | -76 | 84.3 | 169.4 | -169.5 | 169.5 | -154.6 | 0 | 0 | 107.9 | S163 | S163-E165 PolarHBondContact O-N 3.07Š| ||
| 166 | N | 45 | Very low | 63.4 | Low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | trans | -146.5 | 104.1 | 174.6 | -115.4 | 37.6 | 0 | 0 | 0 | 106.5 | P164 E168 | P164-N166 VanDerWaalsContact C-N 3.26Å; P164-N166 PolarHBondContact O-N 3.12Å; N166-E168 PolarHBondContact O-N 2.68Å | ||
| 167 | D | 49.5 | Very low | 61.6 | Low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | trans | -71.8 | 87.7 | -178.6 | -50 | -83.4 | 0 | 0 | 0 | 111.9 | ||||
| 168 | E | 48.2 | Very low | 59.3 | Low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | trans | -143.4 | 60.2 | 156.2 | -72 | -163.2 | -173.7 | 0 | 0 | 109.7 | N166 E170 | N166-E168 PolarHBondContact O-N 2.68Å; E168-E170 PolarHBondContact O-N 3.46Å | ||
| 169 | D | 45 | Very low | 57.5 | Low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | -76.6 | 73.3 | 168.2 | -66.5 | -36.8 | 0 | 0 | 0 | 109.9 | ||||
| 170 | E | 54.1 | Low | 55.4 | Low | 192 Ų | 192 | 151.5 Ų | 151.5 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | -94.7 | 74.1 | 150.9 | -80.4 | -165.7 | -173.3 | 0 | 0 | 108.6 | E168 | E168-E170 PolarHBondContact O-N 3.46Š| ||
| 171 | D | 48.2 | Very low | 53.6 | Low | 149 Ų | 149 | 150.5 Ų | 150.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -127.3 | 124.1 | 161.6 | -90.4 | -44 | 0 | 0 | 0 | 108.4 | D173 | D171-D173 PolarHBondContact O-N 3.04Å; D171-D173 VanDerWaalsContact O-N 3.16Å | ||
| 172 | E | 54.1 | Low | 51.3 | Low | 195 Ų | 195 | 152.8 Ų | 152.8 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -76.2 | 94.7 | -176.6 | -64.1 | 174.7 | 140.3 | 0 | 0 | 111 | E174 | E172-E174 PolarHBondContact O-N 3.38Š| ||
| 173 | D | 48.9 | Very low | 49.5 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -76.8 | 71.1 | 160.8 | -82.7 | -25 | 0 | 0 | 0 | 109.9 | D171 D175 | D171-D173 PolarHBondContact O-N 3.04Å; D171-D173 VanDerWaalsContact O-N 3.16Å; D173-D175 PolarHBondContact O-N 2.93Å | ||
| 174 | E | 59.6 | Low | 47.3 | Very low | 175 Ų | 175 | 162.5 Ų | 162.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -74.2 | 107.2 | 146.5 | -82.4 | -152.9 | 169.2 | 0 | 0 | 107.8 | E172 | E172-E174 PolarHBondContact O-N 3.38Š| ||
| 175 | D | 49.1 | Very low | 45.8 | Very low | 144 Ų | 144 | 166.3 Ų | 166.3 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | -166.8 | 151.5 | 127 | -99.5 | -27.6 | 0 | 0 | 0 | 112.5 | D173 | D173-D175 PolarHBondContact O-N 2.93Š| |||
| 176 | D | 42.3 | Very low | 44.7 | Very low | 144 Ų | 144 | 166 Ų | 166 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | 59.4 | 89 | 166.7 | -62.3 | -27.2 | 0 | 0 | 0 | 119.1 | ||||
| 177 | K | 47.1 | Very low | 44.1 | Very low | 205 Ų | 205 | 163.4 Ų | 163.4 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | -76.3 | 115.8 | 151.8 | -63.2 | -159.3 | -179.2 | -164.3 | 0 | 110.7 | ||||
| 178 | D | 39 | Very low | 43.6 | Very low | 157 Ų | 157 | 162.3 Ų | 162.3 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | -110.1 | 110.9 | 158.6 | -85.4 | -38.9 | 0 | 0 | 0 | 111.2 | E180 | D178-E180 PolarHBondContact O-N 3.36Š| ||
| 179 | E | 47.9 | Very low | 42.7 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -76.5 | 92.8 | 165.7 | -68.5 | -172.9 | 155.7 | 0 | 0 | 109.8 | V181 | E179-V181 HydrophobicContact CB-CG2 4.45Š| ||
| 180 | E | 41.9 | Very low | 42.4 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -93.2 | 100.3 | 163.2 | -163.7 | 166.1 | -156.5 | 0 | 0 | 111.3 | D178 | D178-E180 PolarHBondContact O-N 3.36Š| ||
| 181 | V | 44.1 | Very low | 41.3 | Very low | 112 Ų | 112 | 157.4 Ų | 157.4 | 68% | 0.679 | 81% | 0.805 | S | S | * | * | trans | -97.9 | 105.2 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | E179 | E179-V181 HydrophobicContact CB-CG2 4.45Š| ||
| 182 | E | 36.6 | Very low | 40.4 | Very low | 186 Ų | 186 | 159 Ų | 159 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -130.9 | 147.7 | 159.2 | -131.6 | -172.4 | -179.8 | 0 | 0 | 114.7 | ||||
| 183 | K | 42.7 | Very low | 39.2 | Very low | 181 Ų | 181 | 155 Ų | 155 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | -109 | 163.9 | -166.5 | -59.8 | 167.3 | 179.7 | 168.2 | 0 | 110.2 | ||||
| 184 | V | 35 | Very low | 38.4 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | 160.7 | 109 | 144.4 | 150.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 185 | Q | 31.2 | Very low | 37.1 | Very low | 174 Ų | 174 | 154 Ų | 154 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | 56.5 | 134.5 | 96.4 | -66.8 | 177.4 | 9.2 | 0 | 0 | 113.7 | |||||
| 186 | E | 29.8 | Very low | 36.1 | Very low | 171 Ų | 171 | 152.1 Ų | 152.1 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | cis | -153.4 | 162.3 | 9.2 | -91.1 | -142.6 | 84 | 0 | 0 | 109.4 | ||||
| 187 | S | 32.2 | Very low | 35.8 | Very low | 87 Ų | 87 | 153.3 Ų | 153.3 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | -153 | -92.8 | -14.8 | -105.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 188 | P | 37.9 | Very low | 34.9 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | -113.8 | 151.9 | -128 | 36.8 | -25.5 | 0 | 0 | 0 | 117.8 | |||||
| 189 | A | 30.9 | Very low | 34.6 | Very low | 89 Ų | 89 | 150 Ų | 150 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -77.5 | -178.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 190 | P | 38.3 | Very low | 33.6 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | -144.9 | 140 | 89.3 | 36.4 | -20.6 | 0 | 0 | 0 | 117 | |||||
| 191 | R | 31.5 | Very low | 33.1 | Very low | 232 Ų | 232 | 145.8 Ų | 145.8 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | 49.9 | 130 | 138 | -60.4 | 179 | 176.5 | -178.9 | -1.8 | 118.7 | ||||
| 192 | E | 28.7 | Very low | 33.7 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | -152.8 | 138.8 | 81.5 | -96.1 | -168.5 | 127.1 | 0 | 0 | 115.1 | |||||
| 193 | V | 29.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | trans | 11 | 127.5 | 148.8 | -81.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 194 | Q | 30.9 | Very low | 32.7 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | cis | -171.3 | 179.3 | 36.8 | -108.7 | 171.6 | 104.1 | 0 | 0 | 108.1 | ||||
| 195 | K | 32.5 | Very low | 32.6 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | cis | -154.6 | -167 | 8.5 | -139.6 | 178.9 | 178.7 | 170.4 | 0 | 112.9 | ||||
| 196 | T | 28.6 | Very low | 32.6 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | trans | -69.6 | 162.7 | 165.6 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 197 | E | 34.7 | Very low | 32.6 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | cis | -131.1 | 148.5 | 25.1 | -75.8 | 161.7 | 78.3 | 0 | 0 | 110.5 | ||||
| 198 | E | 29.7 | Very low | 32.4 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | 48.8 | 136.4 | 76.1 | -67.4 | -160.1 | 122.8 | 0 | 0 | 114.5 | |||||
| 199 | K | 32 | Very low | 32 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | cis | -165.7 | 146.5 | -6.4 | -114.4 | 179.6 | 175.9 | 155.9 | 0 | 109 | ||||
| 200 | E | 28.1 | Very low | 31.9 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | 62.7 | 105.4 | 101.1 | -149.6 | 172.2 | -172.7 | 0 | 0 | 113.7 | |||||
| 201 | V | 31.1 | Very low | 31.6 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | 73.5 | 143.2 | 65.1 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 202 | P | 55.9 | Low | 31.4 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | cis | -138.3 | -153.8 | -40.6 | 41 | -19.6 | 0 | 0 | 0 | 112.5 | ||||
| 203 | Q | 30.6 | Very low | 31.4 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 67 | 156.4 | 154.5 | -77.7 | -179.3 | -42.4 | 0 | 0 | 118.3 | ||||
| 204 | D | 27.2 | Very low | 31.5 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | cis | -140.5 | 168.7 | -12.5 | -79.1 | -47.6 | 0 | 0 | 0 | 105.6 | ||||
| 205 | S | 32.8 | Very low | 31.5 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | 165.4 | 167.7 | 70.3 | 37.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 206 | L | 32.5 | Very low | 31.4 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -66.4 | 168.9 | -168.1 | -66.6 | 156.5 | 0 | 0 | 0 | 119 | ||||
| 207 | E | 29.1 | Very low | 31.5 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | trans | 93.4 | 141 | 135.2 | -133.7 | 66.2 | -143.8 | 0 | 0 | 122.7 | ||||
| 208 | E | 28 | Very low | 31.8 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 88.3 | 106 | 140.8 | -108.5 | -170.9 | 132.4 | 0 | 0 | 123.9 | ||||
| 209 | C | 30.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | 63.9 | 116 | 128.3 | -77.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 210 | A | 28.1 | Very low | 32.4 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | 78.4 | 111.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 211 | V | 32.2 | Very low | 32.4 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | 44.2 | 110 | 131.3 | -161.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 212 | T | 26.9 | Very low | 32.5 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | -176.5 | 152.3 | 111.8 | 24.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 213 | C | 29.1 | Very low | 31.3 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | -52.9 | 153.3 | 179.7 | -42.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 214 | S | 30.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | 177.6 | 142.1 | 101.3 | -77.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 215 | N | 30.8 | Very low | 32.2 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -31.3 | 144.9 | 167.3 | -68.6 | -29.6 | 0 | 0 | 0 | 119.8 | ||||
| 216 | S | 31.1 | Very low | 32 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -177.7 | 154.7 | 112.2 | 61.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 217 | H | 31.5 | Very low | 31.9 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | cis | -153.3 | 145.5 | 1.2 | -170.7 | 51.7 | 0 | 0 | 0 | 108.1 | ||||
| 218 | N | 39.3 | Very low | 32.1 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -103.6 | 155.5 | 174 | -111.3 | -14.8 | 0 | 0 | 0 | 109.3 | ||||
| 219 | P | 42.1 | Very low | 32.2 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | -148.9 | 136.2 | 98.5 | 35.4 | -17.3 | 0 | 0 | 0 | 117.4 | |||||
| 220 | S | 33.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 41.7 | 127.6 | 133.3 | -56.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 221 | N | 28.3 | Very low | 32.6 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | -149 | 155.5 | 93.7 | -123.5 | -21.9 | 0 | 0 | 0 | 114.8 | |||||
| 222 | S | 32.5 | Very low | 32.5 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | trans | -100.7 | 153.3 | -164.9 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 223 | N | 31.5 | Very low | 32.7 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 175.2 | 120.8 | 111.9 | -81.5 | -25.9 | 0 | 0 | 0 | 114.2 | |||||
| 224 | Q | 37.9 | Very low | 32.8 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 65% | 0.654 | 80% | 0.799 | S | S | * | * | trans | -70 | 177.2 | 152.1 | -73.7 | -176.9 | -52.8 | 0 | 0 | 110.8 | H226 | Q224-H226 PolarHBondContact NE2-CD2 3.02Å; Q224-H226 PolarHBondContact NE2-NE2 2.99Å; Q224-H226 PolarHBondContact OE1-CD2 3.23Å; Q224-H226 PolarHBondContact OE1-NE2 3.18Å | ||
| 225 | P | 37.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | -129.9 | 134.9 | 118.9 | 35.5 | -28.7 | 0 | 0 | 0 | 114.5 | |||||
| 226 | H | 29.5 | Very low | 33 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 70% | 0.704 | 80% | 0.797 | S | S | * | * | trans | -89.5 | 136 | 157.6 | -81.2 | -76.1 | 0 | 0 | 0 | 110.2 | Q224 | Q224-H226 PolarHBondContact NE2-CD2 3.02Å; Q224-H226 PolarHBondContact NE2-NE2 2.99Å; Q224-H226 PolarHBondContact OE1-CD2 3.23Å; Q224-H226 PolarHBondContact OE1-NE2 3.18Å | ||
| 227 | R | 29.9 | Very low | 33.2 | Very low | 245 Ų | 245 | 155.2 Ų | 155.2 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -164.8 | 102.5 | 144.6 | -115.7 | -177.8 | -176.2 | -144 | 1.1 | 111.9 | ||||
| 228 | S | 32.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 152 Ų | 152 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -135 | 128.9 | 163.6 | -55.1 | 0 | 0 | 0 | 0 | 108.5 | K230 | S228-K230 PolarHBondContact O-N 3.4Š| ||
| 229 | T | 31.6 | Very low | 32.5 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -84.7 | 113 | -166.8 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | I231 | T229-I231 PolarHBondContact O-N 3.24Š| ||
| 230 | K | 31.2 | Very low | 32 | Very low | 179 Ų | 179 | 152.1 Ų | 152.1 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -2.5 | 105.9 | 146.4 | -169.8 | -178.1 | -170.9 | -179.9 | 0 | 116 | S228 | S228-K230 PolarHBondContact O-N 3.4Š| ||
| 231 | I | 35.2 | Very low | 31.7 | Very low | 168 Ų | 168 | 151.6 Ų | 151.6 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -129.8 | 119.9 | 150.5 | -46.5 | 177.4 | 0 | 0 | 0 | 106.8 | T229 | T229-I231 PolarHBondContact O-N 3.24Š| ||
| 232 | T | 30.2 | Very low | 32 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 61% | 0.613 | 79% | 0.791 | S | S | * | * | trans | -114.4 | 129.2 | 177.9 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 233 | F | 29.7 | Very low | 31.7 | Very low | 215 Ų | 215 | 154 Ų | 154 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | trans | -148.9 | 154.8 | 139.4 | -95.9 | -68.3 | 0 | 0 | 0 | 110 | ||||
| 234 | K | 31.6 | Very low | 31.7 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -84.2 | 159.6 | -161.5 | -73.2 | -179.3 | 168.2 | -171.8 | 0 | 113.9 | ||||
| 235 | E | 34.1 | Very low | 31.2 | Very low | 188 Ų | 188 | 153.9 Ų | 153.9 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -57 | 155.3 | 166.5 | -63.7 | 143.6 | 124.9 | 0 | 0 | 113.4 | ||||
| 236 | H | 31.1 | Very low | 30.8 | Very low | 171 Ų | 171 | 153.3 Ų | 153.3 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -134.6 | 107.4 | 147.6 | -178.2 | -77.6 | 0 | 0 | 0 | 108.9 | ||||
| 237 | E | 35.7 | Very low | 30.8 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -63.8 | 137.8 | 169.2 | 174.1 | -179.2 | -147.4 | 0 | 0 | 111.5 | ||||
| 238 | V | 30 | Very low | 31 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -178.2 | 124 | 135.7 | -89.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 239 | D | 26.8 | Very low | 31.4 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 14.2 | 127 | 140.7 | -55 | -35 | 0 | 0 | 0 | 122.2 | ||||
| 240 | S | 31.4 | Very low | 31.2 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | 167.2 | 112.7 | 115.4 | -70.6 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 241 | A | 28 | Very low | 31.1 | Very low | 93 Ų | 93 | 149.3 Ų | 149.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | 54 | 96.6 | 67.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 242 | L | 33.6 | Very low | 31.1 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | 173.9 | 97.2 | 135.7 | -93.6 | 168.3 | 0 | 0 | 0 | 109.5 | ||||
| 243 | V | 27.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 153.7 Ų | 153.7 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 126.5 | 158 | 170.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 244 | V | 31.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -105.2 | 126 | 167.2 | 166.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 245 | E | 27.9 | Very low | 31.6 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -63.3 | 151.2 | 173.8 | -59.7 | 162.7 | 143.8 | 0 | 0 | 111.1 | ||||
| 246 | S | 27.7 | Very low | 31.3 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -155 | 89.7 | 155.3 | -73.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 247 | E | 30.6 | Very low | 31.6 | Very low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -75 | 170.7 | 168.3 | -73 | -165.3 | 139.9 | 0 | 0 | 112 | ||||
| 248 | H | 34.3 | Very low | 31.3 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | trans | -56.8 | 164.2 | -175.5 | -121.1 | 59.7 | 0 | 0 | 0 | 115.4 | ||||
| 249 | P | 41 | Very low | 31.3 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | -145.4 | 169.3 | 89.4 | 38.1 | -21.1 | 0 | 0 | 0 | 117.8 | |||||
| 250 | H | 27.9 | Very low | 31.8 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | trans | -36 | 163.2 | 152.2 | -94.6 | -111.1 | 0 | 0 | 0 | 114.4 | ||||
| 251 | D | 28.6 | Very low | 32.3 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 65% | 0.647 | 80% | 0.797 | S | S | * | * | cis | -157.8 | 175.6 | 31.9 | -124.3 | -34.4 | 0 | 0 | 0 | 114.1 | ||||
| 252 | E | 35.6 | Very low | 32.5 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -1 | 149 | 161.7 | -64.7 | 172.6 | 174 | 0 | 0 | 123.4 | ||||
| 253 | E | 29.8 | Very low | 32.3 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | 153.6 | 120.1 | 119.2 | -161.6 | 168.1 | -153.1 | 0 | 0 | 116.7 | |||||
| 254 | E | 32.8 | Very low | 32.5 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 46.9 | 153.6 | 153 | -63.5 | -139.2 | 145.4 | 0 | 0 | 128.6 | ||||
| 255 | E | 38.5 | Very low | 32.5 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -77.9 | 155 | 173.3 | -62 | 179.4 | 99.2 | 0 | 0 | 114.1 | ||||
| 256 | A | 28.7 | Very low | 32.7 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -149.6 | 116.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 257 | L | 35.8 | Very low | 32.9 | Very low | 156 Ų | 156 | 151.1 Ų | 151.1 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -75.8 | 142.2 | 168.3 | -69.3 | 166.1 | 0 | 0 | 0 | 110.7 | ||||
| 258 | N | 29.1 | Very low | 33.1 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -135.6 | 119.7 | 164.8 | -89.1 | -76.7 | 0 | 0 | 0 | 111.4 | ||||
| 259 | I | 31.4 | Very low | 33.2 | Very low | 151 Ų | 151 | 150 Ų | 150 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | -104.9 | 132.6 | 175.8 | -59.4 | 171.7 | 0 | 0 | 0 | 107.6 | ||||
| 260 | P | 37.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 138.7 | 171.8 | 31.8 | -32.7 | 0 | 0 | 0 | 111 | ||
| 261 | P | 41 | Very low | 33 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 147.1 | -172 | 32.8 | -35.6 | 0 | 0 | 0 | 114.3 | ||
| 262 | E | 32 | Very low | 33 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148 | 164.2 | -174.2 | -175.5 | 167.1 | 0 | 0 | 110.9 | Q264 | E262-Q264 PolarHBondContact OE1-NE2 2.91Š|
| 263 | N | 29.3 | Very low | 32.8 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -149.2 | 131.8 | 164.5 | -145.7 | 5.2 | 0 | 0 | 0 | 110.9 | ||||
| 264 | Q | 32.3 | Very low | 32.9 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -102.3 | 163.8 | -173.4 | -60.1 | 175.2 | -2.1 | 0 | 0 | 111 | E262 | E262-Q264 PolarHBondContact OE1-NE2 2.91Š| ||
| 265 | N | 30.1 | Very low | 33 | Very low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | 167.1 | 101.4 | 142.1 | -85 | -44 | 0 | 0 | 0 | 113.2 | ||||
| 266 | D | 32.9 | Very low | 32.6 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 40.4 | 146.8 | 131 | -54.5 | -15.6 | 0 | 0 | 0 | 127.1 | ||||
| 267 | H | 31.3 | Very low | 33.7 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | 100.5 | 96.2 | 147.9 | -69.4 | -53.9 | 0 | 0 | 0 | 123.5 | ||||
| 268 | E | 35.8 | Very low | 34 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | 44.6 | 144.3 | 117.1 | -63.5 | -70.4 | -177.7 | 0 | 0 | 125.6 | |||||
| 269 | E | 36 | Very low | 34.2 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 62.5 | 151.5 | 158.1 | -73.2 | -175.3 | 163.9 | 0 | 0 | 120.3 | ||||
| 270 | E | 34.2 | Very low | 34 | Very low | 151 Ų | 151 | 144 Ų | 144 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -156 | 170.5 | 0.7 | -140.8 | -150.8 | 161.9 | 0 | 0 | 114 | ||||
| 271 | E | 31.3 | Very low | 33.7 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 37.9 | 145.5 | 150.8 | -104.3 | -155.8 | 160.7 | 0 | 0 | 125.7 | ||||
| 272 | G | 27.9 | Very low | 33.4 | Very low | 71 Ų | 71 | 151.1 Ų | 151.1 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -180 | 24.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 273 | K | 30.3 | Very low | 33.4 | Very low | 215 Ų | 215 | 149.7 Ų | 149.7 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | 69 | 138.8 | 166.2 | -71 | -172.3 | 174.4 | 179.6 | 0 | 122.8 | ||||
| 274 | A | 32.1 | Very low | 33.6 | Very low | 79 Ų | 79 | 150 Ų | 150 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | trans | -101 | 175 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V276 | A274-V276 HydrophobicContact CB-CG2 4.33Š| ||
| 275 | P | 35.4 | Very low | 33.8 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -144.7 | 179.7 | 86.1 | 37.2 | -18.3 | 0 | 0 | 0 | 116.4 | |||||
| 276 | V | 31.2 | Very low | 34.2 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -144.7 | 170.2 | -158.2 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | A274 | A274-V276 HydrophobicContact CB-CG2 4.33Š| ||
| 277 | P | 51.6 | Low | 34.7 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -121 | -158.8 | -45.8 | 39.2 | -21 | 0 | 0 | 0 | 112.4 | ||||
| 278 | P | 42.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | -145.2 | 147 | 78.8 | 36.4 | -16.9 | 0 | 0 | 0 | 118.1 | |||||
| 279 | R | 31.9 | Very low | 35.4 | Very low | 225 Ų | 225 | 147.9 Ų | 147.9 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | trans | 26.2 | 132 | 144.3 | -66.4 | 173.1 | 174.5 | 160.3 | -1.8 | 117.8 | ||||
| 280 | N | 28.2 | Very low | 35.7 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | cis | 178.2 | 164.7 | 30.2 | -114.6 | -3.6 | 0 | 0 | 0 | 107.5 | ||||
| 281 | R | 30.1 | Very low | 36 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | cis | -143.5 | 166.4 | 4.2 | -61.5 | -176.8 | 173.3 | 148.1 | -3.7 | 110.2 | ||||
| 282 | Q | 36.1 | Very low | 36.3 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 30.9 | 102.5 | 142 | -66.2 | 170.5 | -33.4 | 0 | 0 | 119.6 | ||||
| 283 | S | 30.5 | Very low | 36.7 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -131.2 | 148.4 | 145 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 284 | L | 35.3 | Very low | 37 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 153.5 | -177.9 | -74.5 | 129.8 | 0 | 0 | 0 | 112.3 | ||||
| 285 | E | 34.6 | Very low | 37.2 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -61.8 | 143.3 | 176.7 | -75.1 | -67 | 152.3 | 0 | 0 | 113.6 | G287 | E285-G287 PolarHBondContact O-N 3.32Š| ||
| 286 | P | 39 | Very low | 37.4 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -90.3 | 71.7 | 166 | 36.6 | -31.4 | 0 | 0 | 0 | 111.2 | ||||
| 287 | G | 43.6 | Very low | 38.1 | Very low | 59 Ų | 59 | 151.4 Ų | 151.4 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -90 | 152.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E285 | E285-G287 PolarHBondContact O-N 3.32Š| ||
| 288 | E | 40.3 | Very low | 36.9 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 75.1 | 52.2 | 170.7 | -50.7 | -175.7 | 165.3 | 0 | 0 | 117.9 | ||||
| 289 | L | 42.7 | Very low | 36.7 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | trans | -125.4 | 28.5 | 161.1 | -84.6 | -179.6 | 0 | 0 | 0 | 114.8 | ||||
| 290 | T | 41.2 | Very low | 36.6 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 64% | 0.638 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -106.2 | -24.2 | 174.4 | 50 | 0 | 0 | 0 | 0 | 114.2 | L292 | T290-L292 PolarHBondContact O-N 3.33Š|
| 291 | N | 40.9 | Very low | 36.7 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 4.9 | -164.7 | -61.3 | -10.5 | 0 | 0 | 0 | 115.6 | ||
| 292 | L | 36.5 | Very low | 36.8 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -7 | -177.6 | -145.2 | 84.7 | 0 | 0 | 0 | 114.7 | T290 | T290-L292 PolarHBondContact O-N 3.33Š|
| 293 | R | 37.4 | Very low | 36.4 | Very low | 213 Ų | 213 | 138 Ų | 138 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -87.2 | -32.5 | 174.9 | -70.1 | -171.9 | 178.6 | -171.1 | -0 | 112.5 | F295 | R293-F295 VanDerWaalsContact C-N 3.32Å; R293-F295 PolarHBondContact O-N 2.98Å |
| 294 | D | 35.5 | Very low | 36.4 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -12.3 | -173.4 | -58.6 | -14.6 | 0 | 0 | 0 | 113.6 | ||
| 295 | F | 37.2 | Very low | 36 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -5.6 | -177.7 | -145.5 | -94.8 | 0 | 0 | 0 | 114.7 | R293 | R293-F295 VanDerWaalsContact C-N 3.32Å; R293-F295 PolarHBondContact O-N 2.98Å |
| 296 | L | 40.6 | Very low | 35.7 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -123 | 2.9 | -177.5 | -67.9 | 177.7 | 0 | 0 | 0 | 114.7 | ||
| 297 | I | 45.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -123.7 | 76.4 | 171.7 | -49.1 | -179.3 | 0 | 0 | 0 | 109.3 | ||||
| 298 | S | 26.9 | Very low | 34.6 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -133.1 | 93.1 | 165.6 | -170.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 299 | P | 36.8 | Very low | 34.1 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | trans | -79 | 112.9 | 157.8 | 31.3 | -27.2 | 0 | 0 | 0 | 108 | V301 | P299-V301 VanDerWaalsContact C-N 3.26Å; P299-V301 HydrophobicContact CB-CG2 4.36Å; P299-V301 PolarHBondContact O-N 2.86Å | ||
| 300 | V | 29.4 | Very low | 33.4 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | trans | -69.3 | 89.8 | 167.3 | 177 | 0 | 0 | 0 | 0 | 108.2 | S302 | V300-S302 PolarHBondContact O-N 3.13Š| ||
| 301 | V | 31.5 | Very low | 32.9 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | trans | -83.2 | 99.1 | 168.3 | 179 | 0 | 0 | 0 | 0 | 107.7 | P299 H303 | P299-V301 VanDerWaalsContact C-N 3.26Å; P299-V301 HydrophobicContact CB-CG2 4.36Å; P299-V301 PolarHBondContact O-N 2.86Å; V301-H303 PolarHBondContact O-N 3.48Å | ||
| 302 | S | 31.3 | Very low | 32.3 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -69.9 | 93.1 | 170 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | V300 V304 | V300-S302 PolarHBondContact O-N 3.13Å; S302-V304 VanDerWaalsContact C-N 3.35Å; S302-V304 PolarHBondContact O-N 2.96Å | ||
| 303 | H | 27.7 | Very low | 32 | Very low | 175 Ų | 175 | 138 Ų | 138 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -67.9 | 93.1 | 164 | -79 | -77 | 0 | 0 | 0 | 109.7 | V301 | V301-H303 PolarHBondContact O-N 3.48Š| ||
| 304 | V | 30.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 127 | 156.5 | 175.8 | 0 | 0 | 0 | 0 | 107.3 | S302 | S302-V304 VanDerWaalsContact C-N 3.35Å; S302-V304 PolarHBondContact O-N 2.96Å |
| 305 | A | 27.2 | Very low | 31.2 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P307 | A305-P307 WeakPolarHBondContact O-CD 3.46Š|
| 306 | N | 27.3 | Very low | 30.8 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.7 | 159.7 | -80.9 | -27.1 | 0 | 0 | 0 | 108.8 | ||
| 307 | P | 32 | Very low | 30.2 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.3 | 155.8 | 30.7 | -30.3 | 0 | 0 | 0 | 108.2 | A305 | A305-P307 WeakPolarHBondContact O-CD 3.46Š|
| 308 | G | 27.5 | Very low | 29.2 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 153.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H310 | G308-H310 PolarHBondContact O-N 3.25Š|
| 309 | H | 29.9 | Very low | 29.2 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 88% | 0.884 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.5 | 161.4 | -101 | -109.1 | 0 | 0 | 0 | 109.8 | ||
| 310 | H | 28.5 | Very low | 28.7 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -114.1 | 101.6 | 155.6 | -83.6 | -40.3 | 0 | 0 | 0 | 108.3 | G308 | G308-H310 PolarHBondContact O-N 3.25Š| ||
| 311 | D | 29.8 | Very low | 28.7 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -78.4 | 116.6 | 164.3 | -178.9 | 6.4 | 0 | 0 | 0 | 109.3 | S313 | D311-S313 PolarHBondContact OD1-N 2.95Š| ||
| 312 | K | 29.7 | Very low | 28.6 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -146.3 | 89.5 | 158.5 | -70.8 | -162.9 | 178.4 | 175.2 | 0 | 111.4 | ||||
| 313 | S | 29.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | 58.2 | 133.4 | 123.9 | -154.9 | 0 | 0 | 0 | 0 | 120.6 | D311 S315 | D311-S313 PolarHBondContact OD1-N 2.95Å; S313-S315 PolarHBondContact O-N 3.39Å | |||
| 314 | N | 28.9 | Very low | 28.5 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -52.3 | 131.4 | 170.3 | -90.5 | -40.5 | 0 | 0 | 0 | 113.7 | ||||
| 315 | S | 28.3 | Very low | 28.5 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -144.7 | 105.6 | 152.9 | -157.6 | 0 | 0 | 0 | 0 | 112.2 | S313 R317 | S313-S315 PolarHBondContact O-N 3.39Å; S315-R317 PolarHBondContact O-N 2.87Å | ||
| 316 | Y | 27.6 | Very low | 28.5 | Very low | 221 Ų | 221 | 154.7 Ų | 154.7 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -61.9 | 115.7 | 162.3 | -101.4 | -100.9 | 0 | 0 | 0 | 110 | ||||
| 317 | R | 28 | Very low | 28.6 | Very low | 232 Ų | 232 | 155 Ų | 155 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -144.9 | 127.8 | 149.5 | -76.3 | -157.5 | 175 | -93 | -5.5 | 112.6 | S315 | S315-R317 PolarHBondContact O-N 2.87Š| ||
| 318 | H | 25.9 | Very low | 28.7 | Very low | 185 Ų | 185 | 156 Ų | 156 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -56.2 | 140.6 | 162.9 | -72.4 | -96 | 0 | 0 | 0 | 111.8 | ||||
| 319 | R | 25.2 | Very low | 28.8 | Very low | 196 Ų | 196 | 161.7 Ų | 161.7 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -165.3 | 108 | 135.8 | -107.5 | 173.3 | 173.1 | -69.1 | -30.8 | 108.2 | ||||
| 320 | E | 27.3 | Very low | 28.9 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 64% | 0.64 | 80% | 0.801 | S | S | * | * | 81.3 | 109.9 | 93 | -80.8 | 176.9 | -155 | 0 | 0 | 112.6 | |||||
| 321 | V | 29.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 157.6 Ų | 157.6 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -58.3 | 139.2 | 169.3 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | F323 | V321-F323 HydrophobicContact CG1-CD2 3.66Å; V321-F323 HydrophobicContact CG1-CE2 3.78Å | ||
| 322 | S | 28.5 | Very low | 28.7 | Very low | 112 Ų | 112 | 156.1 Ų | 156.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -135 | 99.4 | 163.6 | -73.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 323 | F | 26.5 | Very low | 28.7 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | trans | -65 | 135.8 | 161.3 | -77.7 | -96.8 | 0 | 0 | 0 | 108.9 | V321 | V321-F323 HydrophobicContact CG1-CD2 3.66Å; V321-F323 HydrophobicContact CG1-CE2 3.78Å | ||
| 324 | L | 31.3 | Very low | 28.7 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -126.1 | 137.6 | 148.5 | -76.4 | 178.8 | 0 | 0 | 0 | 108.6 | ||||
| 325 | A | 30.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -89.7 | 168.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 326 | L | 27.9 | Very low | 28.7 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -48.1 | 153 | 167.9 | -65.6 | 153.8 | 0 | 0 | 0 | 112.8 | ||||
| 327 | D | 28.9 | Very low | 28.9 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -127.6 | 141 | 138.5 | -165.9 | 20.2 | 0 | 0 | 0 | 109.7 | ||||
| 328 | E | 34.5 | Very low | 28.9 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | trans | -110.3 | 125.8 | -175.4 | -66.4 | -174.4 | 140.1 | 0 | 0 | 110.6 | ||||
| 329 | Q | 29.9 | Very low | 29.1 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -148.3 | 96.5 | 153.7 | -133.6 | 168.3 | 56.9 | 0 | 0 | 110.9 | ||||
| 330 | K | 31.3 | Very low | 29.2 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | 70.6 | 113.5 | 78.1 | -90.5 | -166 | 171.8 | 170 | 0 | 116.3 | |||||
| 331 | V | 26.6 | Very low | 29.1 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 85.3 | 98.8 | 138.3 | -176.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 332 | C | 26.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | 32.7 | 134.4 | 122.8 | -43 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 333 | S | 30.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | -169.8 | 162.9 | 97 | -79.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 334 | A | 28.9 | Very low | 30.2 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -98.5 | -177.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 335 | Q | 30.7 | Very low | 30 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 106.8 | 122.5 | 140.9 | -147.2 | 94.6 | 63 | 0 | 0 | 117.4 | ||||
| 336 | D | 27.5 | Very low | 29.9 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | -11.2 | 149 | 153.5 | -50.7 | -72.3 | 0 | 0 | 0 | 119 | ||||
| 337 | V | 30.5 | Very low | 30 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | -169.5 | 110.2 | 102.5 | 147.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 338 | A | 28.9 | Very low | 30 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | trans | 47.8 | 140 | 131.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 339 | R | 29.1 | Very low | 29.8 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | 98 | 125.2 | 127.7 | -91.5 | 178.7 | -179 | -142 | 9.7 | 122 | |||||
| 340 | D | 27.5 | Very low | 29.6 | Very low | 109 Ų | 109 | 140 Ų | 140 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | 103.6 | 112.2 | 124.5 | -73.2 | -15.5 | 0 | 0 | 0 | 121.3 | |||||
| 341 | Y | 26.5 | Very low | 29.5 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | 60.8 | 113.3 | 142.5 | -73.6 | -85.5 | 0 | 0 | 0 | 123.1 | ||||
| 342 | S | 31.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | 65.6 | 127.2 | 128.4 | -67.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 343 | N | 35.6 | Very low | 29.5 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -41.3 | 155.4 | 161.9 | -80.1 | -19.2 | 0 | 0 | 0 | 115 | ||||
| 344 | P | 40.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | -131.7 | 140.6 | 113.7 | 36.5 | -28.5 | 0 | 0 | 0 | 116 | |||||
| 345 | K | 28.1 | Very low | 29.6 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 64% | 0.635 | 76% | 0.76 | S | S | * | * | trans | -34.9 | 145.7 | 149.5 | 167.1 | -174.3 | 178.3 | -175.9 | 0 | 115.1 | D347 | K345-D347 WeakPolarHBondContact CE-OD2 3.44Å; K345-D347 IonicContact NZ-OD2 3.1Å | ||
| 346 | W | 28.1 | Very low | 29.7 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | -168.5 | 120 | 127.8 | -75.7 | 104.9 | 0 | 0 | 0 | 105.5 | |||||
| 347 | D | 29 | Very low | 29.8 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 52% | 0.519 | 76% | 0.763 | S | S | . | * | 56.6 | 117.8 | 82.6 | -63.5 | -28.1 | 0 | 0 | 0 | 113.6 | K345 | K345-D347 WeakPolarHBondContact CE-OD2 3.44Å; K345-D347 IonicContact NZ-OD2 3.1Å | |||
| 348 | E | 28.8 | Very low | 29.6 | Very low | 198 Ų | 198 | 145 Ų | 145 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | -173.7 | 171 | 102.2 | -116.8 | 178.7 | 168.6 | 0 | 0 | 114.7 | |||||
| 349 | T | 30 | Very low | 29.6 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -112.9 | 154.1 | -155.2 | -25.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 350 | S | 26.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -165.3 | 100.3 | 146.7 | -80.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 351 | L | 28 | Very low | 29.8 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | 63.9 | 113.7 | 84.6 | -89.1 | 170.6 | 0 | 0 | 0 | 116.2 | F353 | L351-F353 HydrophobicContact CD2-CD2 4.24Å; L351-F353 HydrophobicContact CD2-CE2 3.79Å | |||
| 352 | G | 26.8 | Very low | 29.9 | Very low | 79 Ų | 79 | 147 Ų | 147 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | -173.2 | 105.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 353 | F | 27.8 | Very low | 29.8 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | -80.2 | 147.1 | -174.3 | -80.3 | -110.1 | 0 | 0 | 0 | 113.6 | L351 | L351-F353 HydrophobicContact CD2-CD2 4.24Å; L351-F353 HydrophobicContact CD2-CE2 3.79Å | ||
| 354 | L | 30.5 | Very low | 29.7 | Very low | 179 Ų | 179 | 148 Ų | 148 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | -156.1 | 167.4 | 120.9 | -140.6 | 75 | 0 | 0 | 0 | 111.9 | |||||
| 355 | E | 30.2 | Very low | 29.1 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | -135.5 | 149.5 | -151.4 | 175.9 | -169.3 | -157.1 | 0 | 0 | 111.8 | ||||
| 356 | K | 31.9 | Very low | 29.3 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 146.5 | 118.5 | 147.3 | -80.8 | 161.7 | -173.7 | -178.1 | 0 | 110.3 | ||||
| 357 | Q | 29.9 | Very low | 29.4 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | 64 | 134.2 | 73.3 | -73.3 | -171.7 | -31.6 | 0 | 0 | 113 | |||||
| 358 | S | 27.7 | Very low | 29.4 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | cis | -172.6 | 150 | -1.3 | 40.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 359 | D | 27.6 | Very low | 29.4 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 42.2 | 131.6 | 142.1 | -44.8 | -31.6 | 0 | 0 | 0 | 123.1 | ||||
| 360 | L | 30.5 | Very low | 29.4 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | -153 | 146.1 | 123.6 | -155.4 | 63.1 | 0 | 0 | 0 | 113 | |||||
| 361 | E | 31 | Very low | 30 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -39.3 | 143.6 | -178.7 | -57.8 | 165.4 | 134.2 | 0 | 0 | 115.9 | ||||
| 362 | E | 27.5 | Very low | 30.1 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | 71.9 | 148.7 | 51.2 | -138.1 | -146.3 | 144.1 | 0 | 0 | 115.9 | |||||
| 363 | V | 30.8 | Very low | 30.1 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | 79.8 | 111.8 | 169.9 | -168.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 364 | K | 31.6 | Very low | 30.3 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | 110.4 | 120.7 | 23.2 | 174.8 | -170.5 | -176.7 | 178 | 0 | 112.3 | ||||
| 365 | G | 29.1 | Very low | 30.3 | Very low | 70 Ų | 70 | 148.1 Ų | 148.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -149.9 | 100.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 366 | Q | 31 | Very low | 30.1 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 73.5 | 103.3 | 80.9 | -75.7 | -175 | -79.5 | 0 | 0 | 114 | |||||
| 367 | E | 31.1 | Very low | 30.5 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | -161.5 | 137 | 117.7 | -115.5 | -160.1 | 107.2 | 0 | 0 | 116.1 | |||||
| 368 | T | 29.7 | Very low | 30.5 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | 46.9 | 77.3 | 140.9 | 45.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 369 | V | 29 | Very low | 30.6 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | 21.4 | 110.4 | 120.5 | -176.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 370 | A | 28.5 | Very low | 30.5 | Very low | 85 Ų | 85 | 147.2 Ų | 147.2 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | 70.3 | 165.6 | 132 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 371 | P | 39.3 | Very low | 30.4 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -137.7 | 156.9 | 9.1 | 41.7 | -23.1 | 0 | 0 | 0 | 120.3 | ||||
| 372 | R | 30.1 | Very low | 30.3 | Very low | 221 Ų | 221 | 144.6 Ų | 144.6 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 18.5 | 147 | 131.8 | -42.8 | -176.1 | 175.4 | -147 | -3 | 119.6 | ||||
| 373 | L | 28.4 | Very low | 30.1 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -166.8 | 146.9 | 48.7 | -74.6 | 164.6 | 0 | 0 | 0 | 110.4 | ||||
| 374 | S | 31.7 | Very low | 30 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 148.4 | 140.7 | 107 | 54.1 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 375 | R | 29.7 | Very low | 30 | Very low | 256 Ų | 256 | 147.6 Ų | 147.6 | 97% | 0.966 | 78% | 0.783 | S | S | * | * | cis | 81.4 | 93.5 | 30.4 | -159.8 | -179.4 | -166.2 | 174.1 | 6.5 | 116.1 | ||||
| 376 | G | 27.2 | Very low | 30.4 | Very low | 73 Ų | 73 | 149.8 Ų | 149.8 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 154.6 | 119 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 377 | P | 39.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -104.1 | 143.7 | 177.8 | 36.7 | -30.1 | 0 | 0 | 0 | 113.3 | ||||
| 378 | L | 30.3 | Very low | 30 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -159.1 | 127.8 | 157.7 | -139 | 95.8 | 0 | 0 | 0 | 114.8 | ||||
| 379 | R | 28.8 | Very low | 29.9 | Very low | 221 Ų | 221 | 150.2 Ų | 150.2 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | 21.5 | 133.2 | 145.3 | -80.7 | -172.8 | 173.4 | -135.2 | -1 | 123.1 | ||||
| 380 | V | 26.8 | Very low | 30 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | 93.2 | 132.1 | 129.9 | 168.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 381 | D | 27.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 155.6 Ų | 155.6 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | trans | 72.9 | 111.3 | 160.8 | -85.6 | 6.5 | 0 | 0 | 0 | 122.9 | ||||
| 382 | K | 28.8 | Very low | 29.7 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 68% | 0.683 | 79% | 0.794 | S | S | * | * | 75.6 | 130.2 | 126.4 | -68.2 | 170.2 | -176.5 | 142.3 | 0 | 121 | |||||
| 383 | H | 24 | Very low | 29.6 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 42.5 | 113.2 | 140.6 | -69.8 | -77.6 | 0 | 0 | 0 | 117.3 | ||||
| 384 | E | 27.1 | Very low | 29.5 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | -163 | 172.9 | 69.2 | -104.8 | 165.7 | 159.1 | 0 | 0 | 113.5 | |||||
| 385 | I | 31.5 | Very low | 29.4 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -100.1 | 148.1 | -179.1 | -39.8 | 167.9 | 0 | 0 | 0 | 108.9 | ||||
| 386 | P | 39.3 | Very low | 29.5 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | -139.9 | 139.7 | 100 | 16 | 7.1 | 0 | 0 | 0 | 113.1 | |||||
| 387 | Q | 27.6 | Very low | 30.1 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | 59.1 | 99.1 | 88.3 | -83.2 | -166.2 | -26.7 | 0 | 0 | 117.1 | |||||
| 388 | E | 25.3 | Very low | 29.5 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | 174.9 | 154.3 | 144.8 | 52.6 | -167.8 | -176.5 | 0 | 0 | 107.8 | ||||
| 389 | S | 26.6 | Very low | 29.4 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | cis | -156.9 | 151.9 | -2.7 | 144.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 390 | L | 32.6 | Very low | 29.3 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 7.7 | 126.5 | 154.4 | -60.4 | 163.7 | 0 | 0 | 0 | 120.9 | ||||
| 391 | D | 32 | Very low | 29.9 | Very low | 174 Ų | 174 | 138 Ų | 138 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | -161.8 | 162.7 | 122.8 | -133.8 | -2.3 | 0 | 0 | 0 | 106.7 | |||||
| 392 | G | 29.7 | Very low | 29.8 | Very low | 56 Ų | 56 | 139.7 Ų | 139.7 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | cis | 156 | 131.2 | 11.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 393 | C | 27.4 | Very low | 29.9 | Very low | 127 Ų | 127 | 140 Ų | 140 | 86% | 0.858 | 78% | 0.784 | S | S | * | * | trans | -33.4 | 156.2 | 170.1 | -63.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 394 | C | 26.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | cis | -175.2 | 167.5 | 20.3 | -130.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 395 | L | 28.4 | Very low | 30.3 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 118.6 | 151.9 | -60.6 | 168.7 | 0 | 0 | 0 | 122.6 | ||||
| 396 | T | 32.8 | Very low | 30 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -76.4 | -179.6 | 156.4 | 37.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 397 | P | 38.5 | Very low | 29.4 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -131.6 | 177.9 | 14.4 | 33.4 | -8.7 | 0 | 0 | 0 | 114.9 | ||||
| 398 | S | 28 | Very low | 29.3 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | 168.9 | 150.7 | 76 | -90.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 399 | I | 27.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 64.6 | 134.3 | 143.1 | -64.5 | 166.9 | 0 | 0 | 0 | 117.6 | ||||
| 400 | L | 27.2 | Very low | 29.7 | Very low | 152 Ų | 152 | 139 Ų | 139 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | cis | -165.1 | -150.9 | -7.9 | -166.9 | 76.6 | 0 | 0 | 0 | 108.3 | ||||
| 401 | P | 39.2 | Very low | 29.4 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | -96.8 | 169.4 | -116.8 | 39 | -24.1 | 0 | 0 | 0 | 116.5 | |||||
| 402 | D | 25.8 | Very low | 29.3 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | 172.5 | 164.5 | 110.3 | -98.8 | -18.8 | 0 | 0 | 0 | 114.8 | |||||
| 403 | L | 29.9 | Very low | 29.3 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 99.5 | 87.7 | 165.3 | -64.7 | 159 | 0 | 0 | 0 | 118.8 | ||||
| 404 | T | 29.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 136.8 | 150.6 | 31.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 405 | P | 31.6 | Very low | 29.8 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 131 | 159.4 | 32.4 | -27.5 | 0 | 0 | 0 | 111 | ||
| 406 | S | 25.8 | Very low | 30 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 143.4 | -176.6 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 407 | Y | 25.2 | Very low | 30 | Very low | 209 Ų | 209 | 147.6 Ų | 147.6 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 133.3 | 178.4 | -140.3 | -104.5 | 0 | 0 | 0 | 112.4 | P409 | Y407-P409 HydrophobicContact CD1-CG 4.33Å; Y407-P409 HydrophobicContact CE1-CG 4.38Å |
| 408 | H | 26.2 | Very low | 29.9 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -144.8 | 118.4 | 158.3 | -87.4 | -59.7 | 0 | 0 | 0 | 110.1 | ||||
| 409 | P | 33.9 | Very low | 30.3 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -104.3 | 115.8 | 175.4 | 34.6 | -25.4 | 0 | 0 | 0 | 111.3 | Y407 | Y407-P409 HydrophobicContact CD1-CG 4.33Å; Y407-P409 HydrophobicContact CE1-CG 4.38Å | ||
| 410 | Y | 26.8 | Very low | 31.1 | Very low | 222 Ų | 222 | 147.5 Ų | 147.5 | 87% | 0.871 | 75% | 0.752 | S | S | * | * | trans | -150.6 | 146.2 | 157.2 | -150.9 | -104.2 | 0 | 0 | 0 | 110.4 | ||||
| 411 | W | 26.5 | Very low | 31.7 | Very low | 228 Ų | 228 | 146.6 Ų | 146.6 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | 72.4 | 82.4 | 174.9 | -146.4 | -42.9 | 0 | 0 | 0 | 117.8 | ||||
| 412 | S | 28.4 | Very low | 31.4 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -156.7 | 68.3 | 146.6 | -163.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 413 | T | 31.6 | Very low | 32.2 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -118.2 | 95.2 | 164.7 | 51.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 414 | L | 34.6 | Very low | 32.9 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | 154.8 | 77.8 | 158.9 | -87.2 | 158.6 | 0 | 0 | 0 | 110 | ||||
| 415 | Y | 28.3 | Very low | 33.2 | Very low | 237 Ų | 237 | 136.8 Ų | 136.8 | 93% | 0.929 | 70% | 0.699 | S | S | * | * | trans | -175.6 | 106.5 | 148.4 | -114.9 | -74.3 | 0 | 0 | 0 | 110.8 | ||||
| 416 | S | 33 | Very low | 33.5 | Very low | 81 Ų | 81 | 136 Ų | 136 | 57% | 0.566 | 69% | 0.687 | S | S | * | * | trans | 165.7 | 86.5 | 152.5 | -80.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 417 | F | 33 | Very low | 34.6 | Very low | 149 Ų | 149 | 135 Ų | 135 | 65% | 0.654 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -107.9 | -59.9 | 168 | -167 | -108.7 | 0 | 0 | 0 | 109.6 | D419 K420 | F417-D419 PolarHBondContact O-N 3.29Å; F417-K420 PolarHBondContact O-N 2.83Å |
| 418 | E | 37.5 | Very low | 35.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -55.2 | -35.2 | 179 | -92.4 | 57.9 | -146.3 | 0 | 0 | 116.4 | K420 Q421 | E418-K420 PolarHBondContact O-N 3.42Å; E418-Q421 PolarHBondContact O-N 3.08Å |
| 419 | D | 35 | Very low | 35.9 | Very low | 101 Ų | 101 | 128 Ų | 128 | 54% | 0.54 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -72 | -13.2 | -173.5 | -144.5 | 48.9 | 0 | 0 | 0 | 113 | F417 S423 | F417-D419 PolarHBondContact O-N 3.29Å; D419-S423 WeakPolarHBondContact O-CB 3.32Å; D419-S423 PolarHBondContact O-N 3.37Å; D419-S423 PolarHBondContact O-OG 3Å |
| 420 | K | 44.4 | Very low | 36.5 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.9 | -39.1 | 175.8 | -66.9 | -178.6 | -179.7 | 177.4 | 0 | 112.5 | F417 E418 V422 S423 L424 | F417-K420 PolarHBondContact O-N 2.83Å; E418-K420 PolarHBondContact O-N 3.42Å; K420-V422 PolarHBondContact O-N 3.37Å; K420-S423 PolarHBondContact O-N 2.9Å; K420-S423 VanDerWaalsContact O-N 3.15Å; K420-L424 PolarHBondContact O-N 3.27Å |
| 421 | Q | 39.6 | Very low | 37.4 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.4 | -38.6 | -175.8 | -64.5 | -61.6 | 71.1 | 0 | 0 | 112.4 | E418 S423 A425 | E418-Q421 PolarHBondContact O-N 3.08Å; Q421-S423 VanDerWaalsContact C-N 3.32Å; Q421-A425 WeakPolarHBondContact O-CB 3.44Å; Q421-A425 PolarHBondContact O-N 3.26Å |
| 422 | V | 33.8 | Very low | 38 | Very low | 107 Ų | 107 | 121 Ų | 121 | 65% | 0.648 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.9 | -32 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | K420 L426 | K420-V422 PolarHBondContact O-N 3.37Å; V422-L426 WeakPolarHBondContact O-CB 3.4Å; V422-L426 PolarHBondContact O-N 3.26Å |
| 423 | S | 42.2 | Very low | 38.6 | Very low | 59 Ų | 59 | 120.1 Ų | 120.1 | 41% | 0.413 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.3 | -43.8 | 179.2 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | D419 K420 Q421 L426 V427 | D419-S423 WeakPolarHBondContact O-CB 3.32Å; D419-S423 PolarHBondContact O-N 3.37Å; D419-S423 PolarHBondContact O-OG 3Å; K420-S423 PolarHBondContact O-N 2.9Å; K420-S423 VanDerWaalsContact O-N 3.15Å; Q421-S423 VanDerWaalsContact C-N 3.32Å; S423-L426 PolarHBondContact O-N 2.96Å; S423-V427 WeakPolarHBondContact O-CG2 3.42Å; S423-V427 PolarHBondContact O-N 3.23Å; S423-V427 VanDerWaalsContact O-N 3.17Å |
| 424 | L | 45 | Very low | 38.9 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.5 | -49.6 | 174.9 | -98 | 67.8 | 0 | 0 | 0 | 111.4 | K420 L426 V427 D428 | K420-L424 PolarHBondContact O-N 3.27Å; L424-L426 PolarHBondContact O-N 2.89Å; L424-L426 VanDerWaalsContact O-N 3.12Å; L424-V427 PolarHBondContact O-N 3.25Å; L424-D428 PolarHBondContact O-N 3.43Å |
| 425 | A | 34.8 | Very low | 39.3 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.5 | -24.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q421 K429 | Q421-A425 WeakPolarHBondContact O-CB 3.44Å; Q421-A425 PolarHBondContact O-N 3.26Å; A425-K429 WeakPolarHBondContact O-CB 3.45Å |
| 426 | L | 38.7 | Very low | 39.8 | Very low | 107 Ų | 107 | 116.2 Ų | 116.2 | 56% | 0.56 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79 | -40.1 | 172.7 | -172 | 67 | 0 | 0 | 0 | 112 | V422 S423 L424 K429 I430 | V422-L426 WeakPolarHBondContact O-CB 3.4Å; V422-L426 PolarHBondContact O-N 3.26Å; S423-L426 PolarHBondContact O-N 2.96Å; L424-L426 PolarHBondContact O-N 2.89Å; L424-L426 VanDerWaalsContact O-N 3.12Å; L426-K429 PolarHBondContact O-N 3.1Å; L426-I430 HydrophobicContact CG-CD1 4.14Å; L426-I430 WeakPolarHBondContact O-CD1 3.41Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.3Å; L426-I430 PolarHBondContact O-N 2.77Å |
| 427 | V | 48.1 | Very low | 40.3 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.9 | -44.3 | 179.3 | 170 | 0 | 0 | 0 | 0 | 111.6 | S423 L424 K429 I430 K431 | S423-V427 WeakPolarHBondContact O-CG2 3.42Å; S423-V427 PolarHBondContact O-N 3.23Å; S423-V427 VanDerWaalsContact O-N 3.17Å; L424-V427 PolarHBondContact O-N 3.25Å; V427-K429 VanDerWaalsContact C-N 3.27Å; V427-K429 PolarHBondContact O-N 3.39Å; V427-I430 PolarHBondContact O-N 2.97Å; V427-K431 PolarHBondContact O-N 2.92Å |
| 428 | D | 39 | Very low | 40.6 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.2 | -33.7 | 177.4 | -74.3 | -22.6 | 0 | 0 | 0 | 112.1 | L424 K431 K432 | L424-D428 PolarHBondContact O-N 3.43Å; D428-K431 PolarHBondContact O-N 2.89Å; D428-K432 WeakPolarHBondContact O-CB 3.5Å; D428-K432 PolarHBondContact O-N 3.22Å |
| 429 | K | 40.8 | Very low | 40.7 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.4 | -41.4 | 175.5 | -160.8 | 164.8 | -170.1 | 168.1 | 0 | 112 | A425 L426 V427 K431 K432 D433 | A425-K429 WeakPolarHBondContact O-CB 3.45Å; L426-K429 PolarHBondContact O-N 3.1Å; V427-K429 VanDerWaalsContact C-N 3.27Å; V427-K429 PolarHBondContact O-N 3.39Å; K429-K431 VanDerWaalsContact C-N 3.34Å; K429-K432 PolarHBondContact O-N 3.18Å; K429-D433 WeakPolarHBondContact O-CB 3.46Å; K429-D433 PolarHBondContact O-N 3.4Å |
| 430 | I | 46.5 | Very low | 40.7 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 49% | 0.492 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.1 | -39.1 | 172.8 | -68.8 | 164 | 0 | 0 | 0 | 111 | L426 V427 Q434 | L426-I430 HydrophobicContact CG-CD1 4.14Å; L426-I430 WeakPolarHBondContact O-CD1 3.41Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.3Å; L426-I430 PolarHBondContact O-N 2.77Å; V427-I430 PolarHBondContact O-N 2.97Å; I430-Q434 PolarHBondContact O-N 3.27Å |
| 431 | K | 44.1 | Very low | 40.4 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 65% | 0.648 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.7 | -42.2 | 177.3 | -167.8 | -177.3 | 178 | -167 | 0 | 111.7 | V427 D428 K429 Q434 E435 | V427-K431 PolarHBondContact O-N 2.92Å; D428-K431 PolarHBondContact O-N 2.89Å; K429-K431 VanDerWaalsContact C-N 3.34Å; K431-Q434 WeakPolarHBondContact O-CB 3.12Å; K431-Q434 PolarHBondContact O-N 2.87Å; K431-E435 PolarHBondContact O-N 3.41Å |
| 432 | K | 40.5 | Very low | 40.3 | Very low | 157 Ų | 157 | 121.6 Ų | 121.6 | 68% | 0.683 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.2 | -37.7 | 178.8 | -163.5 | 166.7 | -172.2 | 165.8 | 0 | 113.1 | D428 K429 Q434 E435 | D428-K432 WeakPolarHBondContact O-CB 3.5Å; D428-K432 PolarHBondContact O-N 3.22Å; K429-K432 PolarHBondContact O-N 3.18Å; K432-Q434 PolarHBondContact O-N 2.86Å; K432-E435 PolarHBondContact O-N 2.94Å |
| 433 | D | 39.8 | Very low | 40.5 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69 | -15.2 | 173.7 | -66.2 | -9.7 | 0 | 0 | 0 | 112.6 | K429 I437 | K429-D433 WeakPolarHBondContact O-CB 3.46Å; K429-D433 PolarHBondContact O-N 3.4Å; D433-I437 WeakPolarHBondContact O-CD1 3.2Å |
| 434 | Q | 39 | Very low | 39.9 | Very low | 126 Ų | 126 | 125 Ų | 125 | 59% | 0.589 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.1 | -34.5 | 177.4 | -159.5 | 77 | 62.9 | 0 | 0 | 112.2 | I430 K431 K432 I437 | I430-Q434 PolarHBondContact O-N 3.27Å; K431-Q434 WeakPolarHBondContact O-CB 3.12Å; K431-Q434 PolarHBondContact O-N 2.87Å; K432-Q434 PolarHBondContact O-N 2.86Å; Q434-I437 PolarHBondContact O-N 3.48Å |
| 435 | E | 41.4 | Very low | 39.3 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.1 | -29.9 | -177 | -165.6 | 169.7 | -167.7 | 0 | 0 | 112.5 | K431 K432 I437 | K431-E435 PolarHBondContact O-N 3.41Å; K432-E435 PolarHBondContact O-N 2.94Å; E435-I437 PolarHBondContact O-N 3.27Å |
| 436 | E | 39.8 | Very low | 39 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -10.4 | 176.1 | -159.9 | 178.9 | 159 | 0 | 0 | 113.6 | ||
| 437 | I | 43.2 | Very low | 38.7 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 64% | 0.641 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -17.8 | -176.9 | -65.8 | 175.5 | 0 | 0 | 0 | 112.5 | D433 Q434 E435 | D433-I437 WeakPolarHBondContact O-CD1 3.2Å; Q434-I437 PolarHBondContact O-N 3.48Å; E435-I437 PolarHBondContact O-N 3.27Å |
| 438 | E | 40.5 | Very low | 37.9 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -89.2 | -12.5 | -168.8 | -156.8 | 154.8 | -149.6 | 0 | 0 | 114.5 | ||
| 439 | D | 38.9 | Very low | 37.7 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -105.3 | 38.4 | -178 | -161.9 | 27.9 | 0 | 0 | 0 | 114.8 | ||
| 440 | Q | 35.3 | Very low | 37.1 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | -136.8 | 82.1 | 167.6 | -72.1 | -62.2 | -20.3 | 0 | 0 | 111.9 | P442 | Q440-P442 WeakPolarHBondContact O-CD 3.38Š| ||
| 441 | S | 37.1 | Very low | 36.2 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122 | 168.1 | -68.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 442 | P | 38.4 | Very low | 35.7 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.7 | 178 | 28.1 | -33.5 | 0 | 0 | 0 | 111.2 | Q440 | Q440-P442 WeakPolarHBondContact O-CD 3.38Š|
| 443 | P | 37.7 | Very low | 35.2 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 134 | -178.5 | 28 | -34.1 | 0 | 0 | 0 | 111.9 | ||
| 444 | C | 29.4 | Very low | 34.6 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.7 | 178.4 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | R446 | C444-R446 PolarHBondContact O-N 3.08Å; C444-R446 VanDerWaalsContact O-N 3.09Å |
| 445 | P | 31.2 | Very low | 34.4 | Very low | 132 Ų | 132 | 154 Ų | 154 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 107.1 | -179.7 | 28.8 | -33.4 | 0 | 0 | 0 | 110.8 | ||||
| 446 | R | 29.8 | Very low | 33.8 | Very low | 229 Ų | 229 | 155.4 Ų | 155.4 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -74.8 | 137.1 | 165.5 | -75.6 | -172.9 | 171.2 | 179.3 | -1.6 | 109.9 | C444 S448 | C444-R446 PolarHBondContact O-N 3.08Å; C444-R446 VanDerWaalsContact O-N 3.09Å; R446-S448 PolarHBondContact O-N 2.98Å; R446-S448 VanDerWaalsContact O-N 3.17Å | ||
| 447 | L | 31.8 | Very low | 33.3 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | -64.6 | 109.4 | 166.6 | -72.1 | 164 | 0 | 0 | 0 | 108.9 | ||||
| 448 | S | 31.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 157.2 Ų | 157.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -111.2 | 125 | 169.3 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | R446 | R446-S448 PolarHBondContact O-N 2.98Å; R446-S448 VanDerWaalsContact O-N 3.17Å | ||
| 449 | Q | 35.9 | Very low | 32.3 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -95.3 | 111.1 | -177.8 | 176.6 | -178.2 | 23.9 | 0 | 0 | 107.9 | ||||
| 450 | E | 28 | Very low | 32.2 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -146.9 | 126 | 173 | -147.3 | 163 | -160.8 | 0 | 0 | 111.3 | ||||
| 451 | L | 27.7 | Very low | 31.9 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 141.4 | -178.4 | -75 | 158 | 0 | 0 | 0 | 109.8 | E453 | L451-E453 PolarHBondContact O-N 3.3Š|
| 452 | P | 33.1 | Very low | 31.5 | Very low | 125 Ų | 125 | 157 Ų | 157 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.9 | 167.1 | -19.5 | 33 | 0 | 0 | 0 | 111 | ||
| 453 | E | 29.9 | Very low | 31.2 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 144.5 | 176.1 | -169.4 | 172 | 178.4 | 0 | 0 | 112 | L451 | L451-E453 PolarHBondContact O-N 3.3Š|
| 454 | V | 26.8 | Very low | 31 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 133.2 | -177.6 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | E456 | V454-E456 HydrophobicContact CG1-CG 3.86Š|
| 455 | K | 34 | Very low | 30.9 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -116.9 | 111.3 | 151.5 | -77.5 | -171.7 | 176 | -179.7 | 0 | 109.3 | ||||
| 456 | E | 29.1 | Very low | 30.9 | Very low | 178 Ų | 178 | 157 Ų | 157 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -67.5 | 131.5 | 170.4 | -55.4 | 177.2 | 139.1 | 0 | 0 | 109.7 | V454 | V454-E456 HydrophobicContact CG1-CG 3.86Š| ||
| 457 | Q | 29.8 | Very low | 31.2 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -156.8 | 109.5 | 152.1 | -160.9 | 103.7 | 48.6 | 0 | 0 | 110.7 | ||||
| 458 | E | 28.4 | Very low | 31 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 45.2 | 109.5 | 152.4 | -69.9 | 168.6 | 115.8 | 0 | 0 | 121.1 | ||||
| 459 | V | 34.3 | Very low | 31.2 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -75.3 | 144.8 | 149.9 | 170.6 | 0 | 0 | 0 | 0 | 109.8 | E461 | V459-E461 HydrophobicContact CG1-CG 4.17Š| ||
| 460 | P | 36.7 | Very low | 31 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -104.4 | 131.6 | 142.9 | -12.5 | 30.6 | 0 | 0 | 0 | 111.7 | ||||
| 461 | E | 29.4 | Very low | 31.5 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -83.3 | 139.5 | -177.5 | -56.2 | 176.6 | 138.8 | 0 | 0 | 112.5 | V459 | V459-E461 HydrophobicContact CG1-CG 4.17Š| ||
| 462 | D | 29.4 | Very low | 31.6 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -174.1 | 139.3 | 152.2 | -122.4 | 5.1 | 0 | 0 | 0 | 107.4 | ||||
| 463 | S | 31.9 | Very low | 31.5 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | cis | -159.9 | 148.6 | -6.3 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 464 | V | 32.6 | Very low | 31.3 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | trans | 51.4 | 124.2 | 147.9 | -57.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 465 | N | 27 | Very low | 31.5 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | 77 | 148.3 | 125.2 | -70.9 | 18.5 | 0 | 0 | 0 | 120.5 | |||||
| 466 | E | 33.1 | Very low | 31.3 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -160.7 | 162.3 | 4.9 | -127.3 | 167.6 | 147.3 | 0 | 0 | 113.6 | ||||
| 467 | V | 35.2 | Very low | 31.5 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | 71.3 | 105 | 153.6 | 173.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 468 | Y | 28.4 | Very low | 31.5 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | 64.4 | 127.7 | 73.6 | -82.6 | -84 | 0 | 0 | 0 | 113.4 | |||||
| 469 | L | 34.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | cis | -153.3 | 150.3 | 26.1 | -90.2 | 152 | 0 | 0 | 0 | 112.7 | ||||
| 470 | T | 30.7 | Very low | 31.4 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -103.3 | 162.7 | 145.9 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 471 | P | 38.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | -158.1 | 158.8 | 109.4 | 38 | -19.1 | 0 | 0 | 0 | 119 | |||||
| 472 | S | 31.5 | Very low | 31.2 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 73.8 | 147.9 | 148.5 | 78.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 473 | V | 29.2 | Very low | 31.3 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | cis | -139.9 | 136 | 21 | 164.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 474 | H | 26.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | trans | 12.4 | 127.7 | 153.3 | -62.6 | -95.3 | 0 | 0 | 0 | 122.3 | ||||
| 475 | H | 31.3 | Very low | 30.7 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 89% | 0.889 | 76% | 0.763 | S | S | * | * | -155.7 | 168.1 | 86.8 | -113.6 | -61.3 | 0 | 0 | 0 | 111.7 | |||||
| 476 | D | 29.4 | Very low | 30.7 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -138.7 | 130.9 | -151.7 | 172.4 | 25.7 | 0 | 0 | 0 | 110.9 | ||||
| 477 | V | 33.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -169.5 | 111.8 | 147.1 | -98.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 478 | S | 30.1 | Very low | 30.3 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 46.4 | 115 | 142.9 | -72.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 479 | D | 30.7 | Very low | 30.4 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 61.4 | 102.5 | 121.8 | -73.5 | -17.4 | 0 | 0 | 0 | 122.2 | |||||
| 480 | C | 30.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | 158.3 | 106.4 | 98 | -95 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 481 | H | 30.9 | Very low | 30.2 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | 28.6 | 102.8 | 150.8 | -56.9 | -80 | 0 | 0 | 0 | 121.7 | ||||
| 482 | Q | 29.3 | Very low | 30.2 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 44.4 | 153.6 | 119.7 | -64.4 | -67.3 | -22.4 | 0 | 0 | 121.8 | |||||
| 483 | P | 32.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | cis | -134.7 | 175.1 | -6.7 | 39.8 | -21.3 | 0 | 0 | 0 | 116 | ||||
| 484 | Y | 24 | Very low | 30.7 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | trans | 37.3 | 105.4 | 150 | -123.8 | -97.8 | 0 | 0 | 0 | 121 | ||||
| 485 | S | 27.8 | Very low | 31.1 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -150.6 | 98.1 | 148.4 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 486 | S | 28 | Very low | 30.9 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 57% | 0.566 | 80% | 0.798 | S | S | * | * | trans | -109.3 | 90.8 | 173.1 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 487 | T | 29.2 | Very low | 30.9 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | 21 | 109 | 143.1 | 53.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 488 | L | 29.8 | Very low | 30.8 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | 28.5 | 129 | 125.9 | -59.6 | 175.7 | 0 | 0 | 0 | 120.5 | |||||
| 489 | S | 31.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 51.5 | 104.3 | 134.3 | -53 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 490 | S | 29.9 | Very low | 30.7 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -163.9 | 113.9 | 148 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 491 | L | 31.3 | Very low | 30.6 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -179.1 | 69.5 | 138.8 | -168.6 | 68.6 | 0 | 0 | 0 | 111.3 | ||||
| 492 | E | 38.8 | Very low | 30.5 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -151.9 | 56.5 | 164.3 | -163.7 | 120.8 | -127.1 | 0 | 0 | 110.7 | ||||
| 493 | D | 35.7 | Very low | 30.4 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -153.3 | 64.3 | 178.2 | -127.5 | -13.9 | 0 | 0 | 0 | 111.8 | ||||
| 494 | Q | 34.9 | Very low | 30.3 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -156.3 | 61.6 | 171.3 | -161.4 | 155.7 | 99.6 | 0 | 0 | 115.5 | ||||
| 495 | L | 34.4 | Very low | 31 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -144.4 | 86.6 | 150.6 | -81.3 | -171.7 | 0 | 0 | 0 | 111.2 | ||||
| 496 | A | 27.1 | Very low | 31.1 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 134.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 497 | C | 30.1 | Very low | 31.3 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 134.9 | 163 | -75.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 498 | S | 29.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 147.5 | -173 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 499 | A | 27.7 | Very low | 30.9 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 154.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 500 | L | 31.3 | Very low | 31 | Very low | 183 Ų | 183 | 136 Ų | 136 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | trans | -132 | 136.2 | 144.1 | -91.7 | 173.9 | 0 | 0 | 0 | 109.3 | ||||
| 501 | D | 28.5 | Very low | 31.7 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | -90.9 | 157.9 | -176.9 | 173.2 | 35.7 | 0 | 0 | 0 | 111.2 | ||||
| 502 | V | 29.2 | Very low | 31.4 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 79% | 0.788 | 83% | 0.828 | S | S | * | * | trans | 171.7 | 111.2 | 132.6 | 155.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 503 | A | 27.2 | Very low | 30.8 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 72% | 0.719 | 82% | 0.823 | S | S | * | * | trans | 62.6 | 120.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 504 | S | 30.4 | Very low | 30.6 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -82 | 163.4 | 155.9 | -34.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 505 | P | 39.4 | Very low | 30.2 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | -150.4 | -179.9 | 107.6 | 37.6 | -20.9 | 0 | 0 | 0 | 113.8 | |||||
| 506 | T | 29.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | cis | -172.1 | 132.8 | -34.4 | -78.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 507 | E | 30.3 | Very low | 29.8 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | 35.1 | 162.7 | 156.3 | -64.5 | -170.9 | 141 | 0 | 0 | 126 | ||||
| 508 | A | 27.8 | Very low | 29.6 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | 88.4 | 140.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 509 | A | 24.5 | Very low | 29.5 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | cis | -164 | 157.7 | -15.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 510 | C | 32.6 | Very low | 29.5 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -102.5 | 157.7 | 161.8 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 511 | P | 44.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | -160.1 | 170 | 77.9 | 42.9 | -22.2 | 0 | 0 | 0 | 119.3 | |||||
| 512 | Q | 26.4 | Very low | 29.1 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | 61.5 | 131 | 139 | -75.3 | 161.8 | -29.2 | 0 | 0 | 123.7 | ||||
| 513 | G | 26.5 | Very low | 29.1 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -172.2 | 127.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 514 | T | 29.8 | Very low | 29 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -125.6 | -171.2 | -172.9 | 33.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 515 | W | 26.7 | Very low | 28.8 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | 86.4 | 120.6 | 173.4 | -56.3 | 66.2 | 0 | 0 | 0 | 113.5 | ||||
| 516 | S | 27.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | cis | 76.7 | 114.6 | 37.9 | -162.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 517 | G | 25.4 | Very low | 28.1 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 177.5 | 122.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 518 | D | 26.4 | Very low | 27.9 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -115.6 | 173.6 | -169.2 | -153.5 | -13.9 | 0 | 0 | 0 | 111.3 | ||||
| 519 | L | 26.9 | Very low | 28 | Very low | 150 Ų | 150 | 136 Ų | 136 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 71.9 | 120.7 | 167.2 | -59.7 | 161.1 | 0 | 0 | 0 | 120 | ||||
| 520 | S | 28.8 | Very low | 28.2 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | 178.6 | 148.6 | 98.2 | 43.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 521 | H | 26.7 | Very low | 28 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | trans | -82.9 | 152.4 | 175.7 | -76.3 | -89.1 | 0 | 0 | 0 | 112.8 | ||||
| 522 | H | 25.2 | Very low | 27.3 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | -174.8 | 113.7 | 129.6 | -97.9 | -74.3 | 0 | 0 | 0 | 107.4 | |||||
| 523 | Q | 27.6 | Very low | 27.4 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | 83.1 | 137 | 83.1 | -85.7 | -172.3 | -9.1 | 0 | 0 | 115.4 | |||||
| 524 | S | 26.1 | Very low | 27.6 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 70.4 | 146.9 | 162.9 | -80 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 525 | E | 25.6 | Very low | 28.2 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | cis | -171 | 137.7 | -10.5 | -176.4 | 158 | 166.6 | 0 | 0 | 112.4 | ||||
| 526 | V | 27.1 | Very low | 28.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | trans | 25.4 | 127.5 | 146.6 | -173.4 | 0 | 0 | 0 | 0 | 121.2 | V528 | V526-V528 HydrophobicContact CG1-CG2 3.99Š| ||
| 527 | Q | 28.1 | Very low | 28.3 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | -176.7 | 117.8 | 118.6 | -95.7 | 169.9 | 48.1 | 0 | 0 | 109 | |||||
| 528 | V | 25.4 | Very low | 28.3 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 66% | 0.655 | 77% | 0.765 | S | S | * | * | 63.2 | 104.6 | 71.4 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | V526 | V526-V528 HydrophobicContact CG1-CG2 3.99Š| |||
| 529 | S | 30.1 | Very low | 28.4 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | -164.4 | 138 | 83.4 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 530 | Q | 29.5 | Very low | 29.7 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | 89.6 | 96.9 | 45.8 | -171.1 | 175.7 | 9.7 | 0 | 0 | 115.4 | ||||
| 531 | A | 28.8 | Very low | 29.5 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 177.4 | 119.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 532 | Q | 27.7 | Very low | 29.6 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | cis | 57.2 | 127.3 | 47.6 | -74.4 | -165.1 | -82.1 | 0 | 0 | 113.3 | ||||
| 533 | L | 28.7 | Very low | 29.8 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | cis | -157.1 | 137 | 8.5 | -102.2 | 159.9 | 0 | 0 | 0 | 110.5 | ||||
| 534 | E | 31.1 | Very low | 29.7 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | 52.5 | 158.2 | 124 | -72 | -69.4 | 102.1 | 0 | 0 | 124.6 | |||||
| 535 | P | 43.8 | Very low | 29.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -111.5 | -177.6 | -157.4 | 44.2 | -38 | 0 | 0 | 0 | 115.6 | ||||
| 536 | S | 27.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -153.1 | 134.2 | 162.2 | 65.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 537 | T | 28.3 | Very low | 30.4 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -69 | 145.1 | 175.4 | -34.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 538 | L | 26 | Very low | 30.7 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -171.8 | 161.1 | 130.8 | -134 | 80.9 | 0 | 0 | 0 | 113.9 | ||||
| 539 | V | 28.7 | Very low | 31.1 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -115.7 | -169.3 | 177 | -151.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 540 | P | 53 | Low | 31.1 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -105.5 | -176.9 | -109.3 | 41.3 | -26.6 | 0 | 0 | 0 | 115.3 | |||||
| 541 | S | 25.3 | Very low | 31 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -156.4 | 136.8 | 156.4 | -74.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 542 | C | 28 | Very low | 31.1 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -80.8 | 167 | 175.9 | -46.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 543 | L | 29 | Very low | 31.3 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | trans | -157.6 | 156.7 | 138.2 | -108.9 | 179.1 | 0 | 0 | 0 | 113.1 | ||||
| 544 | R | 27.4 | Very low | 31.2 | Very low | 213 Ų | 213 | 141.8 Ų | 141.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -124.2 | 135.6 | -167.1 | 173.8 | -170.7 | -173 | 176.8 | 4.1 | 107.8 | ||||
| 545 | L | 29.7 | Very low | 31.1 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -139.2 | 139.8 | 169 | -100.7 | 172.5 | 0 | 0 | 0 | 112.2 | ||||
| 546 | Q | 31.9 | Very low | 30.3 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | trans | -139.8 | 133.8 | -173.1 | 176.9 | -179.2 | 2.8 | 0 | 0 | 105 | ||||
| 547 | L | 31.5 | Very low | 30.8 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -145.7 | 127.6 | 177.3 | -114.1 | 167.7 | 0 | 0 | 0 | 110.9 | ||||
| 548 | D | 33.3 | Very low | 30.8 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | -114.3 | 144.5 | 178.9 | 172.5 | 38.1 | 0 | 0 | 0 | 109.2 | ||||
| 549 | Q | 33.4 | Very low | 31.1 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -175.7 | 122.1 | 162.2 | -116.5 | 158.1 | 90.5 | 0 | 0 | 111.2 | ||||
| 550 | G | 30.3 | Very low | 31 | Very low | 61 Ų | 61 | 148 Ų | 148 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | trans | -119.4 | 166 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 551 | F | 28.8 | Very low | 29.7 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 82% | 0.82 | 83% | 0.827 | S | S | * | * | trans | -166.6 | 134.6 | 152.8 | -105.9 | -58.6 | 0 | 0 | 0 | 114.6 | ||||
| 552 | H | 30.8 | Very low | 29.9 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 69% | 0.685 | 82% | 0.822 | S | S | * | * | trans | 58.1 | 104.5 | 149.9 | -70.6 | -34.9 | 0 | 0 | 0 | 125 | ||||
| 553 | C | 30.2 | Very low | 29.8 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | 46.2 | 125.1 | 108.5 | -52.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 554 | G | 27.4 | Very low | 29.8 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -159.5 | 106.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 555 | N | 30.2 | Very low | 29.7 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -86.3 | 141.1 | 178.9 | -71.8 | -25.7 | 0 | 0 | 0 | 112.1 | ||||
| 556 | G | 26.9 | Very low | 29.5 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | -145.2 | 112.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 557 | L | 35.7 | Very low | 29.3 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -104.7 | 161.3 | 179.8 | -77.9 | 169.5 | 0 | 0 | 0 | 112.2 | ||||
| 558 | A | 29.8 | Very low | 29 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | 80.7 | 144.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 559 | Q | 31.1 | Very low | 28.6 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | cis | -153.2 | 122.9 | 17.8 | -157.2 | 169.9 | 12.5 | 0 | 0 | 114.1 | ||||
| 560 | R | 27.3 | Very low | 28.3 | Very low | 231 Ų | 231 | 134.4 Ų | 134.4 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | 26.7 | 116.6 | 143.4 | -164 | -179.2 | -165.3 | 169.1 | 4.1 | 120 | ||||
| 561 | G | 26.3 | Very low | 28.1 | Very low | 82 Ų | 82 | 136 Ų | 136 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -157.1 | 82.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 562 | L | 29.2 | Very low | 28 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | trans | -75.9 | 140.6 | 176.1 | -73.5 | 161.7 | 0 | 0 | 0 | 111.2 | ||||
| 563 | S | 26.5 | Very low | 28 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 83% | 0.833 | S | S | * | * | trans | -155.3 | 89.9 | 154.4 | -80.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 564 | S | 27.3 | Very low | 27.9 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -94.2 | 135.8 | 157.3 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 565 | T | 27.1 | Very low | 28.1 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -124.4 | 123.8 | 164.5 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 566 | T | 25.6 | Very low | 27.9 | Very low | 130 Ų | 130 | 130 Ų | 130 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -90.7 | 140.8 | -166.6 | -42.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 567 | C | 26.1 | Very low | 28.1 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 72% | 0.716 | 81% | 0.814 | S | S | * | * | trans | 23.1 | 134.2 | 149.6 | -163.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 568 | S | 26.3 | Very low | 27.7 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -156.2 | 119 | 131.2 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 569 | F | 24.5 | Very low | 27.7 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -76 | 142.4 | 156 | -88.5 | -99.6 | 0 | 0 | 0 | 109.6 | ||||
| 570 | S | 27.8 | Very low | 27.9 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -120.6 | 112.7 | 166.9 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 571 | A | 25.8 | Very low | 27.9 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -81.7 | 146 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 572 | N | 27.1 | Very low | 27.9 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -142.1 | 130.4 | 157.1 | -85.3 | -49.1 | 0 | 0 | 0 | 107.7 | ||||
| 573 | A | 29.7 | Very low | 27.7 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -135 | 125.1 | -180 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 574 | D | 29 | Very low | 27.8 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | 171.2 | 153.9 | 157.1 | -104.6 | -17.8 | 0 | 0 | 0 | 107.8 | ||||
| 575 | S | 31.4 | Very low | 27.7 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -162.4 | 164.4 | -10.1 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 576 | G | 26.7 | Very low | 27.8 | Very low | 55 Ų | 55 | 139.6 Ų | 139.6 | 57% | 0.567 | 78% | 0.784 | S | S | * | * | trans | 95.1 | 97.2 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 577 | N | 30.5 | Very low | 27.9 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | 127.4 | 119.2 | 108.4 | -64.2 | -37.2 | 0 | 0 | 0 | 119 | |||||
| 578 | Q | 27.2 | Very low | 28.4 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 67 | 113.4 | 144.3 | -65.3 | -176.1 | 6.9 | 0 | 0 | 122.1 | ||||
| 579 | W | 30.6 | Very low | 28.4 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -81.9 | 163.6 | 146.8 | -99.4 | -103.8 | 0 | 0 | 0 | 110.7 | F581 | W579-F581 AromaticContact CD1-CD2 3.87Å; W579-F581 AromaticContact CD1-CE2 3.61Å; W579-F581 HydrophobicContact CG-CE2 4.21Å | ||
| 580 | P | 34.9 | Very low | 28.8 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | -138.9 | 164.7 | 104.9 | 34.4 | -20.3 | 0 | 0 | 0 | 115.4 | |||||
| 581 | F | 25.8 | Very low | 28.7 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -96.3 | 160.1 | -178.1 | -75 | -104.7 | 0 | 0 | 0 | 113.7 | W579 | W579-F581 AromaticContact CD1-CD2 3.87Å; W579-F581 AromaticContact CD1-CE2 3.61Å; W579-F581 HydrophobicContact CG-CE2 4.21Å | ||
| 582 | Q | 27.4 | Very low | 29.1 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -151.5 | 121.8 | 140.8 | -91.5 | 125.3 | 79.4 | 0 | 0 | 105.2 | ||||
| 583 | E | 25.1 | Very low | 29.3 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | 56 | 128 | 74 | -73.7 | -153.6 | 117.9 | 0 | 0 | 112.5 | |||||
| 584 | L | 28 | Very low | 29.5 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | cis | -164.2 | 166.3 | 14.1 | -117.4 | 173 | 0 | 0 | 0 | 111.9 | ||||
| 585 | V | 26.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | 68.1 | 113.9 | 156.1 | 179.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 586 | L | 29 | Very low | 30.1 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -92.4 | 148.5 | 142.8 | -81.3 | 160.2 | 0 | 0 | 0 | 108.9 | ||||
| 587 | E | 27.6 | Very low | 30.4 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | -163.5 | 153.9 | 127.7 | -97.5 | -51.2 | 90.6 | 0 | 0 | 110.1 | |||||
| 588 | P | 36.2 | Very low | 30.4 | Very low | 97 Ų | 97 | 152.4 Ų | 152.4 | 63% | 0.63 | 80% | 0.804 | S | S | * | * | trans | -108.8 | 163.4 | -170 | 40.3 | -31.9 | 0 | 0 | 0 | 113.9 | ||||
| 589 | S | 26.9 | Very low | 30.6 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -156.1 | 135.5 | 162.4 | -73.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 590 | L | 32.3 | Very low | 30.6 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | trans | -33 | 151.6 | 167.9 | -86.5 | 77.3 | 0 | 0 | 0 | 117.9 | ||||
| 591 | G | 26.2 | Very low | 30.3 | Very low | 75 Ų | 75 | 151.1 Ų | 151.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 170.6 | 89.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 592 | M | 33.4 | Very low | 30.6 | Very low | 185 Ų | 185 | 147 Ų | 147 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -73.8 | 136.3 | 167.4 | -74.2 | -153.6 | 76.3 | 0 | 0 | 111.7 | ||||
| 593 | K | 31.3 | Very low | 30.9 | Very low | 205 Ų | 205 | 146 Ų | 146 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -161 | 147.6 | 156.4 | -114.5 | 160.7 | -176.5 | 175.5 | 0 | 112.3 | ||||
| 594 | N | 33.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 157.5 | -177.8 | -66.3 | -50.8 | 0 | 0 | 0 | 113 | ||
| 595 | P | 34.2 | Very low | 31.3 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 152.6 | 164.8 | 32.3 | -34.8 | 0 | 0 | 0 | 111.8 | ||
| 596 | P | 38.8 | Very low | 31.4 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85 | 158.7 | -174.2 | 33.8 | -36 | 0 | 0 | 0 | 114.6 | ||
| 597 | Q | 33.8 | Very low | 31.5 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 156.9 | 165.5 | -65 | 173.8 | -57.2 | 0 | 0 | 111.1 | ||
| 598 | L | 30.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | trans | -161.9 | 105.3 | 155.7 | -156.8 | 66.8 | 0 | 0 | 0 | 105.5 | ||||
| 599 | E | 30.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | 53.5 | 103.4 | 94.6 | -63.8 | -177.6 | 164.9 | 0 | 0 | 111 | |||||
| 600 | D | 30.3 | Very low | 31.8 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | cis | 76.8 | 116.5 | 45.6 | -157.9 | 20.4 | 0 | 0 | 0 | 113.3 | ||||
| 601 | D | 29.8 | Very low | 32.1 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -165.8 | 106.4 | 163.6 | -117.9 | -21.4 | 0 | 0 | 0 | 112.8 | ||||
| 602 | A | 31.9 | Very low | 32.2 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | 18.1 | 131.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 603 | L | 33.8 | Very low | 32.3 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | -174.1 | 162.1 | 95.5 | -98.1 | 166.3 | 0 | 0 | 0 | 114.4 | |||||
| 604 | E | 32.1 | Very low | 32.5 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -30 | 152.4 | -179.2 | -62 | 163.1 | 122.2 | 0 | 0 | 118.8 | ||||
| 605 | G | 28 | Very low | 32.8 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | cis | 159.1 | -173 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 606 | S | 28.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | trans | 79.9 | 144.7 | 177.2 | -155.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 607 | A | 31.6 | Very low | 33.1 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -127.6 | 151.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 608 | S | 32.2 | Very low | 33.2 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -162.7 | 159.1 | 139.9 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 609 | N | 33.4 | Very low | 33.6 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -112.9 | 127.8 | -153.7 | -180 | 9 | 0 | 0 | 0 | 111.6 | ||||
| 610 | T | 32.3 | Very low | 34 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -146.3 | 132.9 | 153.2 | 35.1 | 0 | 0 | 0 | 0 | 111.8 | G612 | T610-G612 PolarHBondContact O-N 3.43Š| ||
| 611 | Q | 38.2 | Very low | 34.4 | Very low | 183 Ų | 183 | 137 Ų | 137 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -68.8 | 87.4 | -175.8 | -177.8 | 77.2 | -15.7 | 0 | 0 | 112.3 | R613 | Q611-R613 PolarHBondContact O-N 3.02Š| ||
| 612 | G | 27.6 | Very low | 35.1 | Very low | 63 Ų | 63 | 132.6 Ų | 132.6 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -74.9 | 112.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T610 Q614 | T610-G612 PolarHBondContact O-N 3.43Å; G612-Q614 PolarHBondContact O-N 3.38Å | ||
| 613 | R | 35.6 | Very low | 35.7 | Very low | 228 Ų | 228 | 133.6 Ų | 133.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -65.7 | 94.3 | -175.2 | -151.1 | 178.9 | -160.1 | -106.4 | 7 | 112.3 | Q611 V615 | Q611-R613 PolarHBondContact O-N 3.02Å; R613-V615 HydrophobicContact CG-CG2 4.44Å; R613-V615 PolarHBondContact O-N 3.19Å | ||
| 614 | Q | 35.9 | Very low | 36.2 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | trans | -70.6 | 94.5 | 175.2 | -73.2 | -169.8 | 8.3 | 0 | 0 | 112.4 | G612 | G612-Q614 PolarHBondContact O-N 3.38Š| ||
| 615 | V | 40.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | -138.4 | 44.5 | 167.3 | -159.4 | 0 | 0 | 0 | 0 | 112 | R613 | R613-V615 HydrophobicContact CG-CG2 4.44Å; R613-V615 PolarHBondContact O-N 3.19Å | ||
| 616 | T | 42.6 | Very low | 37.4 | Very low | 131 Ų | 131 | 129 Ų | 129 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -139.5 | 14.4 | 178.3 | -18.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 617 | G | 35.6 | Very low | 38.2 | Very low | 59 Ų | 59 | 128.3 Ų | 128.3 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -94.7 | -32.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 618 | R | 36.4 | Very low | 38.4 | Very low | 225 Ų | 225 | 129.2 Ų | 129.2 | 85% | 0.849 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -79.1 | -37.9 | -160.8 | -142.3 | 170.3 | -172.6 | 167.7 | -0.1 | 114.5 | A621 S622 | R618-A621 PolarHBondContact O-N 3.44Å; R618-S622 PolarHBondContact O-N 2.91Å |
| 619 | I | 39.7 | Very low | 38.7 | Very low | 137 Ų | 137 | 127 Ų | 127 | 70% | 0.703 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.3 | -39.5 | -175.7 | -58.8 | 174.9 | 0 | 0 | 0 | 111.8 | A621 S622 L623 | I619-A621 VanDerWaalsContact C-N 3.33Å; I619-A621 PolarHBondContact O-N 3.46Å; I619-S622 PolarHBondContact O-N 3.44Å; I619-L623 HydrophobicContact CG2-CD1 4.31Å; I619-L623 PolarHBondContact O-N 3.1Å |
| 620 | R | 38.4 | Very low | 39 | Very low | 201 Ų | 201 | 126.3 Ų | 126.3 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.4 | -34.3 | 176.8 | -79.7 | -175.2 | 171.8 | -176.1 | -2.7 | 112.5 | V624 | R620-V624 WeakPolarHBondContact O-CB 3.5Å; R620-V624 VanDerWaalsContact O-CG2 3.24Å; R620-V624 WeakPolarHBondContact O-CG2 3.33Å; R620-V624 PolarHBondContact O-N 3.02Å |
| 621 | A | 38.4 | Very low | 39.1 | Very low | 60 Ų | 60 | 130.7 Ų | 130.7 | 50% | 0.496 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -63.2 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R618 I619 V624 L625 | R618-A621 PolarHBondContact O-N 3.44Å; I619-A621 VanDerWaalsContact C-N 3.33Å; I619-A621 PolarHBondContact O-N 3.46Å; A621-V624 PolarHBondContact O-N 3.5Å; A621-L625 WeakPolarHBondContact O-CB 3.34Å; A621-L625 PolarHBondContact O-N 3.1Å |
| 622 | S | 45.1 | Very low | 38.9 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 48% | 0.483 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.8 | -45.8 | 179 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | R618 I619 V624 L625 I626 | R618-S622 PolarHBondContact O-N 2.91Å; I619-S622 PolarHBondContact O-N 3.44Å; S622-V624 PolarHBondContact O-N 2.85Å; S622-L625 PolarHBondContact O-N 3.17Å; S622-I626 VanDerWaalsContact O-CG1 3.32Å; S622-I626 WeakPolarHBondContact O-CG1 3.3Å; S622-I626 PolarHBondContact O-N 3.48Å |
| 623 | L | 44.5 | Very low | 39.6 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 51% | 0.513 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -63.8 | -41.7 | 177.7 | -68.7 | 172.7 | 0 | 0 | 0 | 112.2 | I619 L625 I626 L627 | I619-L623 HydrophobicContact CG2-CD1 4.31Å; I619-L623 PolarHBondContact O-N 3.1Å; L623-L625 VanDerWaalsContact C-N 3.31Å; L623-L625 PolarHBondContact O-N 3.18Å; L623-I626 PolarHBondContact O-N 3.43Å; L623-L627 WeakPolarHBondContact O-CD1 3.5Å; L623-L627 PolarHBondContact O-N 3.01Å |
| 624 | V | 43.6 | Very low | 39.9 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -65.1 | -35.6 | 175.1 | 170 | 0 | 0 | 0 | 0 | 111.4 | R620 A621 S622 K628 | R620-V624 WeakPolarHBondContact O-CB 3.5Å; R620-V624 VanDerWaalsContact O-CG2 3.24Å; R620-V624 WeakPolarHBondContact O-CG2 3.33Å; R620-V624 PolarHBondContact O-N 3.02Å; A621-V624 PolarHBondContact O-N 3.5Å; S622-V624 PolarHBondContact O-N 2.85Å; V624-K628 WeakPolarHBondContact O-CB 3.25Å; V624-K628 PolarHBondContact O-N 3.22Å |
| 625 | L | 42.4 | Very low | 40 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66 | -44.1 | 176.2 | -158.1 | 73.3 | 0 | 0 | 0 | 111.3 | A621 S622 L623 K628 T629 | A621-L625 WeakPolarHBondContact O-CB 3.34Å; A621-L625 PolarHBondContact O-N 3.1Å; S622-L625 PolarHBondContact O-N 3.17Å; L623-L625 VanDerWaalsContact C-N 3.31Å; L623-L625 PolarHBondContact O-N 3.18Å; L625-K628 PolarHBondContact O-N 3.27Å; L625-K628 VanDerWaalsContact O-N 3.17Å; L625-T629 PolarHBondContact O-N 3.01Å; L625-T629 PolarHBondContact O-OG1 3.24Å; L625-T629 VanDerWaalsContact O-OG1 3.12Å |
| 626 | I | 43.6 | Very low | 39.6 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 48% | 0.477 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -61.9 | -47.8 | 176.8 | -67.6 | 163.6 | 0 | 0 | 0 | 111.4 | S622 L623 K628 T629 I630 | S622-I626 VanDerWaalsContact O-CG1 3.32Å; S622-I626 WeakPolarHBondContact O-CG1 3.3Å; S622-I626 PolarHBondContact O-N 3.48Å; L623-I626 PolarHBondContact O-N 3.43Å; I626-K628 PolarHBondContact O-N 2.91Å; I626-T629 PolarHBondContact O-OG1 3.32Å; I626-I630 HydrophobicContact CG2-CD1 4.06Å; I626-I630 WeakPolarHBondContact O-CG1 3.5Å; I626-I630 PolarHBondContact O-N 3.02Å |
| 627 | L | 44.1 | Very low | 39 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 63% | 0.634 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -62.1 | -32.1 | 174.7 | -91.3 | 90.7 | 0 | 0 | 0 | 112.5 | L623 R631 | L623-L627 WeakPolarHBondContact O-CD1 3.5Å; L623-L627 PolarHBondContact O-N 3.01Å; L627-R631 WeakPolarHBondContact O-CB 3.44Å; L627-R631 PolarHBondContact O-N 3.38Å |
| 628 | K | 37.3 | Very low | 39.2 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 49% | 0.487 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -85.3 | -23 | -174.2 | -160 | 164.7 | -167.7 | 167.4 | 0 | 113.6 | V624 L625 I626 R632 | V624-K628 WeakPolarHBondContact O-CB 3.25Å; V624-K628 PolarHBondContact O-N 3.22Å; L625-K628 PolarHBondContact O-N 3.27Å; L625-K628 VanDerWaalsContact O-N 3.17Å; I626-K628 PolarHBondContact O-N 2.91Å; K628-R632 WeakPolarHBondContact O-CB 3.4Å; K628-R632 WeakPolarHBondContact O-CG 3.23Å; K628-R632 PolarHBondContact O-N 3.2Å |
| 629 | T | 38.5 | Very low | 38.7 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 51% | 0.509 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -74.6 | -44.9 | 166.3 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | L625 I626 R631 R632 R633 | L625-T629 PolarHBondContact O-N 3.01Å; L625-T629 PolarHBondContact O-OG1 3.24Å; L625-T629 VanDerWaalsContact O-OG1 3.12Å; I626-T629 PolarHBondContact O-OG1 3.32Å; T629-R631 VanDerWaalsContact C-N 3.33Å; T629-R631 PolarHBondContact O-N 3.36Å; T629-R632 PolarHBondContact O-N 2.95Å; T629-R632 VanDerWaalsContact O-N 3.16Å; T629-R633 PolarHBondContact O-N 3.16Å |
| 630 | I | 39.4 | Very low | 38.4 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 67% | 0.672 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -57.5 | -46.6 | 175.3 | -65.7 | 167.7 | 0 | 0 | 0 | 110.4 | I626 R632 | I626-I630 HydrophobicContact CG2-CD1 4.06Å; I626-I630 WeakPolarHBondContact O-CG1 3.5Å; I626-I630 PolarHBondContact O-N 3.02Å; I630-R632 VanDerWaalsContact C-N 3.28Å; I630-R632 PolarHBondContact O-N 2.99Å |
| 631 | R | 33.3 | Very low | 37.9 | Very low | 231 Ų | 231 | 142.9 Ų | 142.9 | 87% | 0.872 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -4.1 | -179.4 | -166.4 | 168.8 | 171.8 | 168.7 | -0.4 | 115.1 | L627 T629 | L627-R631 WeakPolarHBondContact O-CB 3.44Å; L627-R631 PolarHBondContact O-N 3.38Å; T629-R631 VanDerWaalsContact C-N 3.33Å; T629-R631 PolarHBondContact O-N 3.36Å |
| 632 | R | 34.5 | Very low | 37.4 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -6.1 | 179.9 | -81.4 | -178 | 162.6 | 170 | -8.2 | 115.4 | K628 T629 I630 L634 | K628-R632 WeakPolarHBondContact O-CB 3.4Å; K628-R632 WeakPolarHBondContact O-CG 3.23Å; K628-R632 PolarHBondContact O-N 3.2Å; T629-R632 PolarHBondContact O-N 2.95Å; T629-R632 VanDerWaalsContact O-N 3.16Å; I630-R632 VanDerWaalsContact C-N 3.28Å; I630-R632 PolarHBondContact O-N 2.99Å; R632-L634 PolarHBondContact O-N 3.08Å |
| 633 | R | 41.7 | Very low | 36.6 | Very low | 215 Ų | 215 | 149.3 Ų | 149.3 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -98.5 | 68.2 | 173.4 | -76.2 | -168.5 | 171.5 | -170.5 | -0.1 | 112.2 | T629 | T629-R633 PolarHBondContact O-N 3.16Š|
| 634 | L | 42.8 | Very low | 35.8 | Very low | 150 Ų | 150 | 156.2 Ų | 156.2 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -168.6 | 98.2 | 159.7 | -104.1 | 154.8 | 0 | 0 | 0 | 107.9 | R632 | R632-L634 PolarHBondContact O-N 3.08Š| ||
| 635 | P | 37.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 161.8 Ų | 161.8 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | -143.8 | 116 | 109.7 | 33.9 | -17.8 | 0 | 0 | 0 | 112.8 | |||||
| 636 | F | 33 | Very low | 34.6 | Very low | 207 Ų | 207 | 160.8 Ų | 160.8 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | trans | -95.3 | 93.9 | 167.5 | -79.4 | -73.3 | 0 | 0 | 0 | 110.7 | ||||
| 637 | S | 30 | Very low | 33.8 | Very low | 98 Ų | 98 | 158.9 Ų | 158.9 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -88.2 | 120.6 | 164.6 | 46.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 638 | K | 39.5 | Very low | 33.4 | Very low | 205 Ų | 205 | 159.6 Ų | 159.6 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | 24.9 | 96.4 | 161.9 | -74.2 | 176.5 | 173.9 | 169.8 | 0 | 117 | ||||
| 639 | W | 26.2 | Very low | 33.1 | Very low | 242 Ų | 242 | 163.7 Ų | 163.7 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -118.9 | 127.2 | 150.6 | -83 | 69.3 | 0 | 0 | 0 | 109.8 | ||||
| 640 | R | 31.4 | Very low | 32.8 | Very low | 243 Ų | 243 | 163.9 Ų | 163.9 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -119 | 100.4 | -178.3 | -166.1 | -158.5 | -48.4 | -130.3 | 10.5 | 106.4 | ||||
| 641 | L | 28.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 166.2 Ų | 166.2 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 120.6 | -178.8 | -160.2 | 67.9 | 0 | 0 | 0 | 110.1 | F643 | L641-F643 HydrophobicContact CD2-CE2 3.78Å; L641-F643 HydrophobicContact CD2-CZ 3.96Å; L641-F643 HydrophobicContact CG-CE2 4.38Å |
| 642 | A | 28.7 | Very low | 32.4 | Very low | 92 Ų | 92 | 160.9 Ų | 160.9 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89 | 120.9 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 643 | F | 28.3 | Very low | 32.3 | Very low | 171 Ų | 171 | 156.7 Ų | 156.7 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 119.4 | 164.9 | -81.2 | -81.9 | 0 | 0 | 0 | 109.5 | L641 | L641-F643 HydrophobicContact CD2-CE2 3.78Å; L641-F643 HydrophobicContact CD2-CZ 3.96Å; L641-F643 HydrophobicContact CG-CE2 4.38Å |
| 644 | R | 27.9 | Very low | 31.7 | Very low | 244 Ų | 244 | 155.7 Ų | 155.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 123.1 | 161.1 | -58.5 | -173.3 | -163.3 | -148.3 | 6.2 | 107.2 | ||
| 645 | F | 28.7 | Very low | 31.4 | Very low | 205 Ų | 205 | 155.5 Ų | 155.5 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 124 | 159.3 | -80.9 | -90.7 | 0 | 0 | 0 | 108.4 | G647 | F645-G647 PolarHBondContact O-N 3.44Š|
| 646 | A | 31 | Very low | 31.5 | Very low | 103 Ų | 103 | 155.2 Ų | 155.2 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -79.5 | 104.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 647 | G | 28.3 | Very low | 31.4 | Very low | 53 Ų | 53 | 152.9 Ų | 152.9 | 55% | 0.546 | 81% | 0.811 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 150.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F645 H649 | F645-G647 PolarHBondContact O-N 3.44Å; G647-H649 PolarHBondContact O-N 3.1Å |
| 648 | P | 33.7 | Very low | 31.7 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 126.2 | 172.4 | 28.1 | -33 | 0 | 0 | 0 | 110.1 | A650 | P648-A650 PolarHBondContact O-N 3.44Š|
| 649 | H | 31.4 | Very low | 31.5 | Very low | 198 Ų | 198 | 149.7 Ų | 149.7 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 117.6 | 173.6 | -98.1 | -77.1 | 0 | 0 | 0 | 111 | G647 | G647-H649 PolarHBondContact O-N 3.1Š|
| 650 | A | 32.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -127.5 | 145 | 149.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | P648 | P648-A650 PolarHBondContact O-N 3.44Š| ||
| 651 | E | 33 | Very low | 32 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | cis | -138.8 | 171 | 5 | -57 | 167.8 | 105.9 | 0 | 0 | 109.2 | ||||
| 652 | S | 30.8 | Very low | 32.4 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | -177.3 | 114.9 | 124.4 | -81.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 653 | A | 32.3 | Very low | 32.9 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -82.1 | 113.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I655 | A653-I655 PolarHBondContact O-N 3.45Š| ||
| 654 | E | 30.2 | Very low | 33.3 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -75.1 | 114 | 165.6 | -78.4 | -165.9 | 135.2 | 0 | 0 | 110.2 | P656 | E654-P656 WeakPolarHBondContact O-CD 3.46Š| ||
| 655 | I | 36 | Very low | 33.7 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -79.6 | 120.5 | 168.6 | -60.9 | 172.6 | 0 | 0 | 0 | 108.1 | A653 N657 | A653-I655 PolarHBondContact O-N 3.45Å; I655-N657 PolarHBondContact O-N 3.04Å | ||
| 656 | P | 39.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | trans | -74.8 | 111.1 | 179.4 | 28.4 | -33.2 | 0 | 0 | 0 | 111.5 | E654 T658 | E654-P656 WeakPolarHBondContact O-CD 3.46Å; P656-T658 PolarHBondContact O-N 3.26Å | ||
| 657 | N | 31.7 | Very low | 34.6 | Very low | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | -61.8 | 104.7 | 173.4 | -80.3 | -55.7 | 0 | 0 | 0 | 111.7 | I655 | I655-N657 PolarHBondContact O-N 3.04Š| ||
| 658 | T | 35.5 | Very low | 34.9 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 85% | 0.853 | 87% | 0.865 | S | S | * | * | trans | -102.8 | 74.1 | 171.1 | 40.6 | 0 | 0 | 0 | 0 | 111.3 | P656 | P656-T658 PolarHBondContact O-N 3.26Š| ||
| 659 | A | 34.9 | Very low | 35 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 81% | 0.81 | 86% | 0.864 | S | S | * | * | trans | -101.6 | 95.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 660 | G | 34.2 | Very low | 35.2 | Very low | 74 Ų | 74 | 144.1 Ų | 144.1 | 76% | 0.763 | 86% | 0.861 | S | S | * | * | trans | 45.1 | 108.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 661 | R | 36 | Very low | 35.4 | Very low | 243 Ų | 243 | 147.5 Ų | 147.5 | 92% | 0.917 | 87% | 0.869 | S | S | * | * | trans | -103.2 | 94.6 | 153.3 | -169.6 | -176.3 | -167.1 | -178 | 5.7 | 110.7 | ||||
| 662 | T | 36.3 | Very low | 35.5 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 87% | 0.865 | 87% | 0.871 | S | S | * | * | trans | -123.7 | 144.2 | 163.3 | 24.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 663 | Q | 39.5 | Very low | 35.8 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 74% | 0.738 | 87% | 0.874 | S | S | * | * | trans | -97.3 | 173.2 | -167.9 | -65.7 | 174.8 | -39.9 | 0 | 0 | 113.7 | ||||
| 664 | R | 35.5 | Very low | 36.1 | Very low | 213 Ų | 213 | 150.7 Ų | 150.7 | 80% | 0.804 | 88% | 0.878 | S | S | * | * | trans | 87.3 | 117 | 164.6 | -67.8 | 176.7 | -110.3 | -177.4 | -4.6 | 114.1 | ||||
| 665 | M | 36.5 | Very low | 36.5 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 87% | 0.867 | 88% | 0.876 | S | S | * | * | 74.2 | 118.4 | 59.6 | -79.2 | -136.3 | -66.3 | 0 | 0 | 113.9 | |||||
| 666 | A | 38.5 | Very low | 36.6 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 89% | 0.893 | 89% | 0.886 | S | S | * | * | trans | 60.2 | 122.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 667 | G | 40.9 | Very low | 36.3 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 100% | 1.588 | 90% | 0.904 | S | S | * | * | trans | 158.9 | 0 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 667 of 667 residues in 270.1 ms
(Link to these results)