| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.1 | Very low | 40.9 | Very low | 228 Ų | 228 | 130.3 Ų | 130.3 | 100% | 1.123 | 76% | 0.763 | S | S | * | * | 0 | 131.4 | 0 | -73.5 | 152.5 | 61.7 | 0 | 0 | 107.8 | |||||
| 2 | V | 35.1 | Very low | 41.2 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | -92.5 | 124 | 164.1 | 176.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | V | 37 | Very low | 41.8 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -92.3 | 103.3 | 174.7 | 179 | 0 | 0 | 0 | 0 | 107.4 | A5 | V3-A5 PolarHBondContact O-N 3.39Š| ||
| 4 | S | 37 | Very low | 42.4 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -69.6 | 114.4 | 173 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | G6 | S4-G6 PolarHBondContact O-N 3.32Š| ||
| 5 | A | 39.3 | Very low | 42.8 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -69.4 | 111.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V3 | V3-A5 PolarHBondContact O-N 3.39Š| ||
| 6 | G | 38.3 | Very low | 43.3 | Very low | 58 Ų | 58 | 123.3 Ų | 123.3 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 147.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S4 W8 | S4-G6 PolarHBondContact O-N 3.32Å; G6-W8 PolarHBondContact O-N 3.44Å |
| 7 | P | 40.6 | Very low | 43.7 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130.4 | 177 | 27.4 | -33.8 | 0 | 0 | 0 | 110.3 | S9 | P7-S9 PolarHBondContact O-N 3.16Š|
| 8 | W | 42 | Very low | 44.3 | Very low | 257 Ų | 257 | 122 Ų | 122 | 97% | 0.973 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.8 | 160.9 | -80.2 | -10.4 | 0 | 0 | 0 | 108.4 | G6 S10 | G6-W8 PolarHBondContact O-N 3.44Å; W8-S10 PolarHBondContact O-N 3.07Å |
| 9 | S | 45.9 | Very low | 44.7 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 47% | 0.469 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 120.5 | 176.6 | 46.7 | 0 | 0 | 0 | 0 | 110.1 | P7 E11 K12 | P7-S9 PolarHBondContact O-N 3.16Å; S9-E11 PolarHBondContact O-N 3.06Å; S9-K12 PolarHBondContact O-N 3.06Å; S9-K12 VanDerWaalsContact O-N 3.1Å |
| 10 | S | 52 | Low | 45.1 | Very low | 76 Ų | 76 | 119.8 Ų | 119.8 | 53% | 0.531 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -59.3 | -40.3 | -178.5 | 71 | 0 | 0 | 0 | 0 | 111.1 | W8 K12 A13 E14 | W8-S10 PolarHBondContact O-N 3.07Å; S10-K12 PolarHBondContact O-N 3.32Å; S10-K12 VanDerWaalsContact O-N 3.12Å; S10-A13 CarbonylContact O-C 3.5Å; S10-A13 WeakPolarHBondContact O-CA 3.49Å; S10-A13 WeakPolarHBondContact O-CB 3.38Å; S10-A13 PolarHBondContact O-N 3.38Å; S10-E14 WeakPolarHBondContact CB-OE1 3.45Å; S10-E14 WeakPolarHBondContact O-CG 3.35Å; S10-E14 PolarHBondContact O-N 3Å; S10-E14 PolarHBondContact OG-OE1 2.94Å |
| 11 | E | 44 | Very low | 45.6 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -43.3 | -42.4 | 171 | -168.4 | 174.2 | -130.7 | 0 | 0 | 113.8 | S9 M15 | S9-E11 PolarHBondContact O-N 3.06Å; E11-M15 VanDerWaalsContact O-CB 3.24Å; E11-M15 WeakPolarHBondContact O-CB 3.25Å; E11-M15 PolarHBondContact O-N 3.39Å |
| 12 | K | 44.8 | Very low | 46.5 | Very low | 160 Ų | 160 | 114 Ų | 114 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.9 | -23.3 | 178.5 | -170.7 | 167.1 | -176.1 | 171.7 | 0 | 113.4 | S9 S10 N16 | S9-K12 PolarHBondContact O-N 3.06Å; S9-K12 VanDerWaalsContact O-N 3.1Å; S10-K12 PolarHBondContact O-N 3.32Å; S10-K12 VanDerWaalsContact O-N 3.12Å; K12-N16 WeakPolarHBondContact O-CB 3.48Å |
| 13 | A | 48.4 | Very low | 47.5 | Very low | 53 Ų | 53 | 110.9 Ų | 110.9 | 44% | 0.438 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -80.2 | -39.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S10 N16 I17 | S10-A13 CarbonylContact O-C 3.5Å; S10-A13 WeakPolarHBondContact O-CA 3.49Å; S10-A13 WeakPolarHBondContact O-CB 3.38Å; S10-A13 PolarHBondContact O-N 3.38Å; A13-N16 PolarHBondContact O-N 3.11Å; A13-I17 WeakPolarHBondContact O-CB 3.26Å; A13-I17 WeakPolarHBondContact O-CD1 3.31Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 2.61Å |
| 14 | E | 50.1 | Low | 48.2 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 50% | 0.495 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.2 | -45.7 | 178.8 | -71.1 | 164.5 | -135.7 | 0 | 0 | 111.9 | S10 N16 I17 L18 | S10-E14 WeakPolarHBondContact CB-OE1 3.45Å; S10-E14 WeakPolarHBondContact O-CG 3.35Å; S10-E14 PolarHBondContact O-N 3Å; S10-E14 PolarHBondContact OG-OE1 2.94Å; E14-N16 VanDerWaalsContact C-N 3.3Å; E14-N16 PolarHBondContact O-N 3.24Å; E14-I17 PolarHBondContact O-N 3.3Å; E14-L18 PolarHBondContact O-N 2.85Å |
| 15 | M | 47.9 | Very low | 48.8 | Very low | 137 Ų | 137 | 112.8 Ų | 112.8 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.2 | -41.8 | 173.7 | -176.5 | 175.6 | 172.4 | 0 | 0 | 111.9 | E11 L18 E19 | E11-M15 VanDerWaalsContact O-CB 3.24Å; E11-M15 WeakPolarHBondContact O-CB 3.25Å; E11-M15 PolarHBondContact O-N 3.39Å; M15-L18 PolarHBondContact O-N 3.08Å; M15-E19 WeakPolarHBondContact O-CB 3.17Å; M15-E19 PolarHBondContact O-N 3.37Å |
| 16 | N | 51.5 | Low | 49.3 | Very low | 83 Ų | 83 | 112 Ų | 112 | 44% | 0.444 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.3 | -38.1 | 176.5 | -162.8 | -14 | 0 | 0 | 0 | 111.6 | K12 A13 E14 L18 E19 I20 | K12-N16 WeakPolarHBondContact O-CB 3.48Å; A13-N16 PolarHBondContact O-N 3.11Å; E14-N16 VanDerWaalsContact C-N 3.3Å; E14-N16 PolarHBondContact O-N 3.24Å; N16-L18 VanDerWaalsContact C-N 3.33Å; N16-L18 PolarHBondContact O-N 3.41Å; N16-E19 PolarHBondContact O-N 3.46Å; N16-I20 VanDerWaalsContact O-CB 3.25Å; N16-I20 WeakPolarHBondContact O-CB 3.33Å; N16-I20 WeakPolarHBondContact O-CD1 3.23Å; N16-I20 WeakPolarHBondContact O-CG1 3.5Å; N16-I20 PolarHBondContact O-N 2.89Å; N16-I20 VanDerWaalsContact OD1-CD1 3.24Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.29Å |
| 17 | I | 50.6 | Low | 49.5 | Very low | 98 Ų | 98 | 114.1 Ų | 114.1 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.1 | -35.9 | 173.1 | -72.2 | 163.5 | 0 | 0 | 0 | 111.4 | A13 E14 N21 | A13-I17 WeakPolarHBondContact O-CB 3.26Å; A13-I17 WeakPolarHBondContact O-CD1 3.31Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 2.61Å; E14-I17 PolarHBondContact O-N 3.3Å; I17-N21 WeakPolarHBondContact O-CB 3.14Å; I17-N21 PolarHBondContact O-N 3.12Å; I17-N21 PolarHBondContact O-ND2 2.69Å |
| 18 | L | 53.3 | Low | 49.9 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.8 | -51.4 | 173.5 | -93.9 | 162.5 | 0 | 0 | 0 | 111.6 | E14 M15 N16 I20 N21 E22 | E14-L18 PolarHBondContact O-N 2.85Å; M15-L18 PolarHBondContact O-N 3.08Å; N16-L18 VanDerWaalsContact C-N 3.33Å; N16-L18 PolarHBondContact O-N 3.41Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.36Å; L18-N21 PolarHBondContact O-N 2.85Å; L18-E22 WeakPolarHBondContact O-CB 3.46Å; L18-E22 PolarHBondContact O-N 2.91Å |
| 19 | E | 51.8 | Low | 50.4 | Low | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.7 | -41.2 | 177.8 | -172.6 | 175.4 | -166.4 | 0 | 0 | 112.1 | M15 N16 E22 T23 | M15-E19 WeakPolarHBondContact O-CB 3.17Å; M15-E19 PolarHBondContact O-N 3.37Å; N16-E19 PolarHBondContact O-N 3.46Å; E19-E22 PolarHBondContact O-N 2.92Å; E19-T23 WeakPolarHBondContact O-CB 3.42Å; E19-T23 WeakPolarHBondContact O-CG2 3.24Å; E19-T23 PolarHBondContact O-N 2.8Å; E19-T23 PolarHBondContact O-OG1 3.35Å |
| 20 | I | 54 | Low | 50.6 | Low | 79 Ų | 79 | 104.6 Ų | 104.6 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 172.7 | -71.9 | 169.3 | 0 | 0 | 0 | 111.4 | N16 L18 T23 L24 | N16-I20 VanDerWaalsContact O-CB 3.25Å; N16-I20 WeakPolarHBondContact O-CB 3.33Å; N16-I20 WeakPolarHBondContact O-CD1 3.23Å; N16-I20 WeakPolarHBondContact O-CG1 3.5Å; N16-I20 PolarHBondContact O-N 2.89Å; N16-I20 VanDerWaalsContact OD1-CD1 3.24Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.29Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.36Å; I20-T23 WeakPolarHBondContact CA-OG1 3.47Å; I20-T23 PolarHBondContact O-OG1 2.87Å; I20-L24 HydrophobicContact CG2-CD1 3.56Å; I20-L24 HydrophobicContact CG2-CG 4.16Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.28Å; I20-L24 PolarHBondContact O-N 2.88Å |
| 21 | N | 55.4 | Low | 50.4 | Low | 75 Ų | 75 | 106.9 Ų | 106.9 | 40% | 0.401 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 176.2 | -90.6 | -78.1 | 0 | 0 | 0 | 112.6 | I17 L18 R25 | I17-N21 WeakPolarHBondContact O-CB 3.14Å; I17-N21 PolarHBondContact O-N 3.12Å; I17-N21 PolarHBondContact O-ND2 2.69Å; L18-N21 PolarHBondContact O-N 2.85Å; N21-R25 VanDerWaalsContact O-CB 3.27Å; N21-R25 WeakPolarHBondContact O-CB 3.34Å; N21-R25 VanDerWaalsContact O-CG 3.23Å; N21-R25 WeakPolarHBondContact O-CG 3.22Å; N21-R25 PolarHBondContact O-N 2.9Å |
| 22 | E | 57.3 | Low | 50.7 | Low | 152 Ų | 152 | 104.9 Ų | 104.9 | 71% | 0.71 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.4 | -37.7 | 178.8 | -173 | 160.5 | -132.7 | 0 | 0 | 111.8 | L18 E19 P26 | L18-E22 WeakPolarHBondContact O-CB 3.46Å; L18-E22 PolarHBondContact O-N 2.91Å; E19-E22 PolarHBondContact O-N 2.92Å; E22-P26 WeakPolarHBondContact O-CD 3.39Å; E22-P26 WeakPolarHBondContact O-CG 3.15Å |
| 23 | T | 55.5 | Low | 50.8 | Low | 72 Ų | 72 | 103.3 Ų | 103.3 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -78.1 | -33.3 | 175.1 | 53 | 0 | 0 | 0 | 0 | 113.8 | E19 I20 Q27 | E19-T23 WeakPolarHBondContact O-CB 3.42Å; E19-T23 WeakPolarHBondContact O-CG2 3.24Å; E19-T23 PolarHBondContact O-N 2.8Å; E19-T23 PolarHBondContact O-OG1 3.35Å; I20-T23 WeakPolarHBondContact CA-OG1 3.47Å; I20-T23 PolarHBondContact O-OG1 2.87Å; T23-Q27 WeakPolarHBondContact O-CG 3.36Å; T23-Q27 PolarHBondContact O-NE2 3.43Å |
| 24 | L | 52.2 | Low | 50.3 | Low | 90 Ų | 90 | 104.4 Ų | 104.4 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -82.6 | -27.7 | 178.8 | -70.1 | 179.8 | 0 | 0 | 0 | 114.3 | I20 Q27 L28 | I20-L24 HydrophobicContact CG2-CD1 3.56Å; I20-L24 HydrophobicContact CG2-CG 4.16Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.28Å; I20-L24 PolarHBondContact O-N 2.88Å; L24-Q27 PolarHBondContact O-N 2.69Å; L24-L28 VanDerWaalsContact O-CB 3.32Å; L24-L28 WeakPolarHBondContact O-CB 3.19Å; L24-L28 PolarHBondContact O-N 2.83Å |
| 25 | R | 50.9 | Low | 50 | Low | 185 Ų | 185 | 105.8 Ų | 105.8 | 70% | 0.698 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.4 | -49.2 | 178.1 | -87.2 | 174.7 | 178.6 | -174.1 | 2.9 | 113 | N21 L28 A29 | N21-R25 VanDerWaalsContact O-CB 3.27Å; N21-R25 WeakPolarHBondContact O-CB 3.34Å; N21-R25 VanDerWaalsContact O-CG 3.23Å; N21-R25 WeakPolarHBondContact O-CG 3.22Å; N21-R25 PolarHBondContact O-N 2.9Å; R25-L28 PolarHBondContact O-N 3.45Å; R25-A29 WeakPolarHBondContact O-CB 3.15Å; R25-A29 PolarHBondContact O-N 3.3Å |
| 26 | P | 49.2 | Very low | 49.9 | Very low | 81 Ų | 81 | 102.3 Ų | 102.3 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 173.6 | -24.3 | 34.3 | 0 | 0 | 0 | 112.1 | E22 L28 A29 E30 | E22-P26 WeakPolarHBondContact O-CD 3.39Å; E22-P26 WeakPolarHBondContact O-CG 3.15Å; P26-L28 PolarHBondContact O-N 3.26Å; P26-A29 PolarHBondContact O-N 3.18Å; P26-E30 WeakPolarHBondContact O-CB 3.41Å; P26-E30 PolarHBondContact O-N 3.45Å |
| 27 | Q | 41.4 | Very low | 49.4 | Very low | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | -180 | -66.3 | 179.2 | 52.9 | 0 | 0 | 112.2 | T23 L24 E30 K31 | T23-Q27 WeakPolarHBondContact O-CG 3.36Å; T23-Q27 PolarHBondContact O-NE2 3.43Å; L24-Q27 PolarHBondContact O-N 2.69Å; Q27-E30 PolarHBondContact O-N 2.84Å; Q27-K31 VanDerWaalsContact O-CB 3.32Å; Q27-K31 WeakPolarHBondContact O-CB 3.33Å; Q27-K31 WeakPolarHBondContact O-CG 3.47Å; Q27-K31 PolarHBondContact O-N 3.28Å |
| 28 | L | 50.6 | Low | 49.1 | Very low | 100 Ų | 100 | 100.9 Ų | 100.9 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 176.2 | -179 | 60.9 | 0 | 0 | 0 | 111.7 | L24 R25 P26 K32 | L24-L28 VanDerWaalsContact O-CB 3.32Å; L24-L28 WeakPolarHBondContact O-CB 3.19Å; L24-L28 PolarHBondContact O-N 2.83Å; R25-L28 PolarHBondContact O-N 3.45Å; P26-L28 PolarHBondContact O-N 3.26Å; L28-K32 HydrophobicContact CD1-CG 4.43Å; L28-K32 HydrophobicContact CG-CD 4.36Å; L28-K32 WeakPolarHBondContact O-CB 3.41Å; L28-K32 VanDerWaalsContact O-CG 3.26Å; L28-K32 WeakPolarHBondContact O-CG 3.26Å; L28-K32 PolarHBondContact O-N 2.87Å |
| 29 | A | 51.3 | Low | 48.8 | Very low | 47 Ų | 47 | 98.6 Ų | 98.6 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R25 P26 K32 Q33 | R25-A29 WeakPolarHBondContact O-CB 3.15Å; R25-A29 PolarHBondContact O-N 3.3Å; P26-A29 PolarHBondContact O-N 3.18Å; A29-K32 PolarHBondContact O-N 2.87Å; A29-Q33 WeakPolarHBondContact O-CB 3.3Å; A29-Q33 PolarHBondContact O-N 2.89Å |
| 30 | E | 50.7 | Low | 48.6 | Very low | 105 Ų | 105 | 96.2 Ų | 96.2 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.3 | -158.6 | -152.6 | 162.7 | 0 | 0 | 111.3 | P26 Q27 K32 Q33 Q34 | P26-E30 WeakPolarHBondContact O-CB 3.41Å; P26-E30 PolarHBondContact O-N 3.45Å; Q27-E30 PolarHBondContact O-N 2.84Å; E30-K32 PolarHBondContact O-N 3.48Å; E30-Q33 CarbonylContact O-C 3.5Å; E30-Q33 WeakPolarHBondContact O-CA 3.35Å; E30-Q33 WeakPolarHBondContact O-CB 3.48Å; E30-Q33 PolarHBondContact O-N 3.2Å; E30-Q34 VanDerWaalsContact CD-NE2 3.26Å; E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CB 3.24Å; E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 2.8Å; E30-Q34 PolarHBondContact OE1-NE2 3.32Å |
| 31 | K | 46.4 | Very low | 48.4 | Very low | 124 Ų | 124 | 98.3 Ų | 98.3 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.6 | -71.3 | -73 | 163 | -162 | 0 | 112.2 | Q27 Q33 Q34 F35 | Q27-K31 VanDerWaalsContact O-CB 3.32Å; Q27-K31 WeakPolarHBondContact O-CB 3.33Å; Q27-K31 WeakPolarHBondContact O-CG 3.47Å; Q27-K31 PolarHBondContact O-N 3.28Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 2.95Å; K31-Q34 PolarHBondContact O-N 3.42Å; K31-F35 VanDerWaalsContact O-CB 3.32Å; K31-F35 WeakPolarHBondContact O-CB 3.25Å; K31-F35 PolarHBondContact O-N 3.01Å |
| 32 | K | 50.6 | Low | 47.8 | Very low | 106 Ų | 106 | 97.7 Ų | 97.7 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 170.3 | -75.6 | 175.2 | 177.8 | -176.3 | 0 | 111.5 | L28 A29 E30 R36 | L28-K32 HydrophobicContact CD1-CG 4.43Å; L28-K32 HydrophobicContact CG-CD 4.36Å; L28-K32 WeakPolarHBondContact O-CB 3.41Å; L28-K32 VanDerWaalsContact O-CG 3.26Å; L28-K32 WeakPolarHBondContact O-CG 3.26Å; L28-K32 PolarHBondContact O-N 2.87Å; A29-K32 PolarHBondContact O-N 2.87Å; E30-K32 PolarHBondContact O-N 3.48Å; K32-R36 WeakPolarHBondContact O-CB 3.3Å; K32-R36 VanDerWaalsContact O-CG 3.26Å; K32-R36 WeakPolarHBondContact O-CG 3.45Å; K32-R36 PolarHBondContact O-N 2.95Å; K32-R36 PolarHBondContact O-NE 3.34Å |
| 33 | Q | 47.4 | Very low | 47.3 | Very low | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.593 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.2 | -39 | 177.2 | -173.5 | 167.3 | -17.1 | 0 | 0 | 112.9 | A29 E30 K31 R36 S37 | A29-Q33 WeakPolarHBondContact O-CB 3.3Å; A29-Q33 PolarHBondContact O-N 2.89Å; E30-Q33 CarbonylContact O-C 3.5Å; E30-Q33 WeakPolarHBondContact O-CA 3.35Å; E30-Q33 WeakPolarHBondContact O-CB 3.48Å; E30-Q33 PolarHBondContact O-N 3.2Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 2.95Å; Q33-R36 PolarHBondContact O-N 3.16Å; Q33-S37 PolarHBondContact O-N 3.04Å |
| 34 | Q | 38.8 | Very low | 47.3 | Very low | 75 Ų | 75 | 93.5 Ų | 93.5 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 171.8 | -73 | 177.9 | 6.8 | 0 | 0 | 110.1 | E30 K31 S37 L38 | E30-Q34 VanDerWaalsContact CD-NE2 3.26Å; E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CB 3.24Å; E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 2.8Å; E30-Q34 PolarHBondContact OE1-NE2 3.32Å; K31-Q34 PolarHBondContact O-N 3.42Å; Q34-S37 PolarHBondContact O-N 3.28Å; Q34-S37 PolarHBondContact O-OG 3.03Å; Q34-L38 WeakPolarHBondContact O-CB 3.23Å; Q34-L38 PolarHBondContact O-N 2.6Å |
| 35 | F | 42.9 | Very low | 47.2 | Very low | 135 Ų | 135 | 93.9 Ų | 93.9 | 59% | 0.592 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 176.4 | -174.4 | -102.1 | 0 | 0 | 0 | 112.4 | K31 S37 L38 K39 | K31-F35 VanDerWaalsContact O-CB 3.32Å; K31-F35 WeakPolarHBondContact O-CB 3.25Å; K31-F35 PolarHBondContact O-N 3.01Å; F35-S37 PolarHBondContact O-N 2.95Å; F35-L38 PolarHBondContact O-N 3.47Å; F35-K39 HydrophobicContact CE1-CD 4.48Å; F35-K39 VanDerWaalsContact O-CB 3.31Å; F35-K39 WeakPolarHBondContact O-CB 3.29Å; F35-K39 PolarHBondContact O-N 2.83Å |
| 36 | R | 45.7 | Very low | 47 | Very low | 64 Ų | 64 | 90.2 Ų | 90.2 | 24% | 0.242 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 172.4 | -78 | -177.2 | -77.8 | -141.8 | 6.2 | 111.6 | K32 Q33 L38 K39 E40 E351 | K32-R36 WeakPolarHBondContact O-CB 3.3Å; K32-R36 VanDerWaalsContact O-CG 3.26Å; K32-R36 WeakPolarHBondContact O-CG 3.45Å; K32-R36 PolarHBondContact O-N 2.95Å; K32-R36 PolarHBondContact O-NE 3.34Å; Q33-R36 PolarHBondContact O-N 3.16Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-L38 PolarHBondContact O-N 3.42Å; R36-K39 PolarHBondContact O-N 2.83Å; R36-E40 PolarHBondContact O-N 3.33Å; R36-E351 IonicContact CZ-OE1 3.84Å; R36-E351 IonicContact CZ-OE2 3.87Å; R36-E351 IonicContact NH1-OE1 2.79Å; R36-E351 PolarHBondContact NH1-OE1 2.72Å; R36-E351 IonicContact NH1-OE2 2.64Å; R36-E351 PolarHBondContact NH1-OE2 2.77Å |
| 37 | S | 42.2 | Very low | 47.1 | Very low | 36 Ų | 36 | 89.5 Ų | 89.5 | 25% | 0.252 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 176.2 | 101.4 | 0 | 0 | 0 | 0 | 112.6 | Q33 Q34 F35 K41 | Q33-S37 PolarHBondContact O-N 3.04Å; Q34-S37 PolarHBondContact O-N 3.28Å; Q34-S37 PolarHBondContact O-OG 3.03Å; F35-S37 PolarHBondContact O-N 2.95Å; S37-K41 VanDerWaalsContact O-CB 3.29Å; S37-K41 WeakPolarHBondContact O-CB 3.38Å; S37-K41 VanDerWaalsContact O-CD 3.3Å; S37-K41 WeakPolarHBondContact O-CD 3.42Å; S37-K41 WeakPolarHBondContact O-CG 3.39Å; S37-K41 PolarHBondContact O-N 3.44Å; S37-K41 PolarHBondContact OG-NZ 3.05Å |
| 38 | L | 43.4 | Very low | 47.7 | Very low | 115 Ų | 115 | 87 Ų | 87 | 60% | 0.602 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69.9 | -39.6 | 178.1 | -170.1 | 66.6 | 0 | 0 | 0 | 110.9 | Q34 F35 R36 K41 C42 | Q34-L38 WeakPolarHBondContact O-CB 3.23Å; Q34-L38 PolarHBondContact O-N 2.6Å; F35-L38 PolarHBondContact O-N 3.47Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-L38 PolarHBondContact O-N 3.42Å; L38-K41 PolarHBondContact O-N 3.43Å; L38-C42 VanDerWaalsContact O-CB 3.27Å; L38-C42 WeakPolarHBondContact O-CB 3.5Å; L38-C42 PolarHBondContact O-N 2.92Å |
| 39 | K | 47 | Very low | 47.8 | Very low | 79 Ų | 79 | 83.8 Ų | 83.8 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 173.8 | -171.8 | 170 | 177.6 | -175.3 | 0 | 111.2 | F35 R36 C42 F43 N344 | F35-K39 HydrophobicContact CE1-CD 4.48Å; F35-K39 VanDerWaalsContact O-CB 3.31Å; F35-K39 WeakPolarHBondContact O-CB 3.29Å; F35-K39 PolarHBondContact O-N 2.83Å; R36-K39 PolarHBondContact O-N 2.83Å; K39-C42 PolarHBondContact O-N 2.89Å; K39-F43 HydrophobicContact CD-CE2 4.23Å; K39-F43 HydrophobicContact CG-CD2 4.08Å; K39-F43 HydrophobicContact CG-CE2 3.48Å; K39-F43 VanDerWaalsContact CG-CE2 3.48Å; K39-F43 HydrophobicContact CG-CZ 4.19Å; K39-F43 WeakPolarHBondContact O-CD2 3.31Å; K39-F43 PolarHBondContact O-N 2.86Å; K39-N344 PolarHBondContact NZ-OD1 3.07Å |
| 40 | E | 47.8 | Very low | 48.2 | Very low | 70 Ų | 70 | 87 Ų | 87 | 33% | 0.327 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 170.8 | -74.7 | -165.8 | 142.3 | 0 | 0 | 112.3 | R36 C42 F43 L44 K78 | R36-E40 PolarHBondContact O-N 3.33Å; E40-C42 VanDerWaalsContact C-N 3.3Å; E40-C42 PolarHBondContact O-N 2.73Å; E40-F43 PolarHBondContact O-N 3.02Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 WeakPolarHBondContact O-CG 3.15Å; E40-L44 PolarHBondContact O-N 2.9Å; E40-K78 WeakPolarHBondContact OE1-CE 3.18Å; E40-K78 IonicContact OE1-NZ 3.92Å; E40-K78 PolarHBondContact OE1-NZ 3.05Å; E40-K78 IonicContact OE2-NZ 3.97Å; E40-K78 PolarHBondContact OE2-NZ 3.36Å |
| 41 | K | 48.8 | Very low | 48.5 | Very low | 122 Ų | 122 | 84.3 Ų | 84.3 | 53% | 0.53 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 179.3 | -75 | 161.9 | -174.5 | 159.1 | 0 | 111.8 | S37 L38 T45 | S37-K41 VanDerWaalsContact O-CB 3.29Å; S37-K41 WeakPolarHBondContact O-CB 3.38Å; S37-K41 VanDerWaalsContact O-CD 3.3Å; S37-K41 WeakPolarHBondContact O-CD 3.42Å; S37-K41 WeakPolarHBondContact O-CG 3.39Å; S37-K41 PolarHBondContact O-N 3.44Å; S37-K41 PolarHBondContact OG-NZ 3.05Å; L38-K41 PolarHBondContact O-N 3.43Å; K41-T45 VanDerWaalsContact O-CB 3.28Å; K41-T45 WeakPolarHBondContact O-CB 3.33Å; K41-T45 PolarHBondContact O-N 3.32Å; K41-T45 PolarHBondContact O-OG1 2.84Å |
| 42 | C | 42.7 | Very low | 48.9 | Very low | 62 Ų | 62 | 80.4 Ų | 80.4 | 42% | 0.419 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 175.8 | -169.4 | 0 | 0 | 0 | 0 | 111.1 | L38 K39 E40 T45 Q46 | L38-C42 VanDerWaalsContact O-CB 3.27Å; L38-C42 WeakPolarHBondContact O-CB 3.5Å; L38-C42 PolarHBondContact O-N 2.92Å; K39-C42 PolarHBondContact O-N 2.89Å; E40-C42 VanDerWaalsContact C-N 3.3Å; E40-C42 PolarHBondContact O-N 2.73Å; C42-T45 PolarHBondContact O-N 2.7Å; C42-Q46 WeakPolarHBondContact O-CG 3.23Å; C42-Q46 PolarHBondContact O-N 3.37Å |
| 43 | F | 48.4 | Very low | 49 | Very low | 78 Ų | 78 | 80.8 Ų | 80.8 | 34% | 0.342 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 177.6 | -66.4 | -45.8 | 0 | 0 | 0 | 113.2 | K39 E40 T45 Q46 L47 F340 | K39-F43 HydrophobicContact CD-CE2 4.23Å; K39-F43 HydrophobicContact CG-CD2 4.08Å; K39-F43 HydrophobicContact CG-CE2 3.48Å; K39-F43 VanDerWaalsContact CG-CE2 3.48Å; K39-F43 HydrophobicContact CG-CZ 4.19Å; K39-F43 WeakPolarHBondContact O-CD2 3.31Å; K39-F43 PolarHBondContact O-N 2.86Å; E40-F43 PolarHBondContact O-N 3.02Å; F43-T45 VanDerWaalsContact C-N 3.28Å; F43-T45 PolarHBondContact O-N 3.28Å; F43-Q46 PolarHBondContact O-N 3.43Å; F43-L47 VanDerWaalsContact O-CB 3.31Å; F43-L47 WeakPolarHBondContact O-CB 3.07Å; F43-L47 PolarHBondContact O-N 3.09Å; F43-F340 HydrophobicContact CE1-CE1 4.39Å; F43-F340 AromaticContact CZ-CE1 3.83Å; F43-F340 HydrophobicContact CZ-CE1 3.83Å |
| 44 | L | 54.2 | Low | 49.3 | Very low | 58 Ų | 58 | 79.4 Ų | 79.4 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -37 | 172.7 | -76.7 | 168.4 | 0 | 0 | 0 | 111.7 | E40 A48 L71 | E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 WeakPolarHBondContact O-CG 3.15Å; E40-L44 PolarHBondContact O-N 2.9Å; L44-A48 WeakPolarHBondContact O-CB 3.09Å; L44-A48 PolarHBondContact O-N 3.48Å; L44-L71 HydrophobicContact CD2-CD2 4.19Å |
| 45 | T | 51.4 | Low | 49.8 | Very low | 98 Ų | 98 | 79.7 Ų | 79.7 | 60% | 0.601 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.6 | -40.7 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | K41 C42 F43 G49 | K41-T45 VanDerWaalsContact O-CB 3.28Å; K41-T45 WeakPolarHBondContact O-CB 3.33Å; K41-T45 PolarHBondContact O-N 3.32Å; K41-T45 PolarHBondContact O-OG1 2.84Å; C42-T45 PolarHBondContact O-N 2.7Å; F43-T45 VanDerWaalsContact C-N 3.28Å; F43-T45 PolarHBondContact O-N 3.28Å; T45-G49 PolarHBondContact O-N 3.01Å |
| 46 | Q | 47 | Very low | 50.4 | Low | 109 Ų | 109 | 82 Ų | 82 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 174.1 | -71.8 | 174.9 | 1.3 | 0 | 0 | 111.5 | C42 F43 G49 F50 | C42-Q46 WeakPolarHBondContact O-CG 3.23Å; C42-Q46 PolarHBondContact O-N 3.37Å; F43-Q46 PolarHBondContact O-N 3.43Å; Q46-G49 PolarHBondContact O-N 3.42Å; Q46-F50 WeakPolarHBondContact O-CB 3.33Å; Q46-F50 PolarHBondContact O-N 3.44Å |
| 47 | L | 50.5 | Low | 50.5 | Low | 66 Ų | 66 | 86.9 Ų | 86.9 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.1 | -162 | 81.8 | 0 | 0 | 0 | 111.1 | F43 G49 F50 L51 M70 | F43-L47 VanDerWaalsContact O-CB 3.31Å; F43-L47 WeakPolarHBondContact O-CB 3.07Å; F43-L47 PolarHBondContact O-N 3.09Å; L47-G49 VanDerWaalsContact C-N 3.35Å; L47-G49 PolarHBondContact O-N 2.82Å; L47-F50 PolarHBondContact O-N 3.43Å; L47-L51 HydrophobicContact CD2-CD1 4.32Å; L47-L51 HydrophobicContact CG-CD1 3.99Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 WeakPolarHBondContact O-CD1 3.47Å; L47-L51 VanDerWaalsContact O-CG 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 2.93Å; L47-M70 HydrophobicContact CD2-CE 4.3Å |
| 48 | A | 54.4 | Low | 51 | Low | 51 Ų | 51 | 92.5 Ų | 92.5 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L44 L51 A52 | L44-A48 WeakPolarHBondContact O-CB 3.09Å; L44-A48 PolarHBondContact O-N 3.48Å; A48-L51 PolarHBondContact O-N 3.23Å; A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 2.81Å |
| 49 | G | 52.5 | Low | 51.2 | Low | 33 Ų | 33 | 97.2 Ų | 97.2 | 34% | 0.34 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | T45 Q46 L47 A52 N53 | T45-G49 PolarHBondContact O-N 3.01Å; Q46-G49 PolarHBondContact O-N 3.42Å; L47-G49 VanDerWaalsContact C-N 3.35Å; L47-G49 PolarHBondContact O-N 2.82Å; G49-A52 PolarHBondContact O-N 2.88Å; G49-N53 WeakPolarHBondContact O-CB 3.22Å; G49-N53 PolarHBondContact O-N 2.84Å |
| 50 | F | 59.2 | Low | 51.4 | Low | 115 Ų | 115 | 99.8 Ų | 99.8 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.7 | -177.9 | -95.3 | 0 | 0 | 0 | 111.8 | Q46 L47 R54 | Q46-F50 WeakPolarHBondContact O-CB 3.33Å; Q46-F50 PolarHBondContact O-N 3.44Å; L47-F50 PolarHBondContact O-N 3.43Å; F50-R54 PolarHBondContact O-N 3.33Å; F50-R54 VanDerWaalsContact O-N 3.11Å |
| 51 | L | 56.4 | Low | 51.7 | Low | 47 Ų | 47 | 101.7 Ų | 101.7 | 25% | 0.246 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 180 | -67.9 | 167.7 | 0 | 0 | 0 | 112.4 | L47 A48 R54 Q55 I67 | L47-L51 HydrophobicContact CD2-CD1 4.32Å; L47-L51 HydrophobicContact CG-CD1 3.99Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 WeakPolarHBondContact O-CD1 3.47Å; L47-L51 VanDerWaalsContact O-CG 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 2.93Å; A48-L51 PolarHBondContact O-N 3.23Å; L51-R54 PolarHBondContact O-N 2.84Å; L51-Q55 WeakPolarHBondContact O-CB 3.48Å; L51-Q55 PolarHBondContact O-N 3.25Å; L51-I67 HydrophobicContact CB-CD1 3.71Å; L51-I67 HydrophobicContact CD1-CD1 3.71Å; L51-I67 HydrophobicContact CD1-CG1 3.81Å; L51-I67 HydrophobicContact CG-CD1 4.19Å |
| 52 | A | 55.2 | Low | 51.9 | Low | 42 Ų | 42 | 102.9 Ų | 102.9 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A48 G49 R54 Q55 K56 | A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 2.81Å; G49-A52 PolarHBondContact O-N 2.88Å; A52-R54 VanDerWaalsContact C-N 3.32Å; A52-R54 PolarHBondContact O-N 3.18Å; A52-Q55 PolarHBondContact O-N 3Å; A52-K56 PolarHBondContact O-N 3.25Å |
| 53 | N | 54.2 | Low | 52 | Low | 114 Ų | 114 | 102 Ų | 102 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -34.6 | 171.8 | -90.1 | -19.5 | 0 | 0 | 0 | 112.3 | G49 K57 | G49-N53 WeakPolarHBondContact O-CB 3.22Å; G49-N53 PolarHBondContact O-N 2.84Å; N53-K57 PolarHBondContact O-N 3.49Å |
| 54 | R | 52.5 | Low | 52.3 | Low | 99 Ų | 99 | 103 Ų | 103 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 169.6 | -83.5 | -170.9 | 164.5 | -144.6 | -5.2 | 112.6 | F50 L51 A52 K56 K57 Y58 | F50-R54 PolarHBondContact O-N 3.33Å; F50-R54 VanDerWaalsContact O-N 3.11Å; L51-R54 PolarHBondContact O-N 2.84Å; A52-R54 VanDerWaalsContact C-N 3.32Å; A52-R54 PolarHBondContact O-N 3.18Å; R54-K56 VanDerWaalsContact C-N 3.29Å; R54-K56 PolarHBondContact O-N 2.91Å; R54-K57 WeakPolarHBondContact O-CA 3.38Å; R54-K57 PolarHBondContact O-N 3.37Å; R54-Y58 PolarHBondContact O-N 3.49Å |
| 55 | Q | 50.1 | Low | 52.4 | Low | 81 Ų | 81 | 104.2 Ų | 104.2 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -31.6 | 178.9 | -165.2 | 175 | 39.5 | 0 | 0 | 112.9 | L51 A52 K57 | L51-Q55 WeakPolarHBondContact O-CB 3.48Å; L51-Q55 PolarHBondContact O-N 3.25Å; A52-Q55 PolarHBondContact O-N 3Å; Q55-K57 VanDerWaalsContact C-N 3.31Å |
| 56 | K | 54.6 | Low | 52.5 | Low | 184 Ų | 184 | 103.3 Ų | 103.3 | 80% | 0.8 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.3 | -22.4 | 169 | -74 | -178.6 | 177.8 | 179.3 | 0 | 113.9 | A52 R54 | A52-K56 PolarHBondContact O-N 3.25Å; R54-K56 VanDerWaalsContact C-N 3.29Å; R54-K56 PolarHBondContact O-N 2.91Å |
| 57 | K | 48.6 | Very low | 53 | Low | 165 Ų | 165 | 100.1 Ų | 100.1 | 72% | 0.717 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -98.6 | -27.2 | -173.5 | -163.9 | 169.3 | -174.8 | 173.3 | 0 | 113.7 | N53 R54 Q55 | N53-K57 PolarHBondContact O-N 3.49Å; R54-K57 WeakPolarHBondContact O-CA 3.38Å; R54-K57 PolarHBondContact O-N 3.37Å; Q55-K57 VanDerWaalsContact C-N 3.31Å |
| 58 | Y | 52.1 | Low | 53.8 | Low | 154 Ų | 154 | 103.6 Ų | 103.6 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -140.5 | 132.7 | 173.6 | -66.9 | -86.1 | 0 | 0 | 0 | 110.3 | R54 Y60 | R54-Y58 PolarHBondContact O-N 3.49Å; Y58-Y60 VanDerWaalsContact C-N 3.28Å; Y58-Y60 PolarHBondContact O-N 2.7Å |
| 59 | K | 47 | Very low | 54 | Low | 214 Ų | 214 | 105.3 Ų | 105.3 | 93% | 0.93 | 49% | 0.493 | S | S | * | . | trans | -71 | 79.9 | 173.4 | -73.4 | -174.9 | 175.6 | -178.6 | 0 | 110.8 | ||||
| 60 | Y | 52.5 | Low | 54 | Low | 134 Ų | 134 | 107.4 Ų | 107.4 | 53% | 0.525 | 50% | 0.495 | S | S | . | . | trans | -111.3 | 100.3 | 172.6 | -102.8 | -98.1 | 0 | 0 | 0 | 110 | Y58 | Y58-Y60 VanDerWaalsContact C-N 3.28Å; Y58-Y60 PolarHBondContact O-N 2.7Å | ||
| 61 | E | 53.8 | Low | 53.9 | Low | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -74.9 | -29.9 | 179.6 | -156.1 | 69.5 | 174.2 | 0 | 0 | 111.3 | C63 K64 D65 | E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 2.96Å; E61-K64 VanDerWaalsContact CD-CD 3.49Å; E61-K64 HydrophobicContact CG-CD 4.37Å; E61-K64 WeakPolarHBondContact O-CA 3.32Å; E61-K64 WeakPolarHBondContact O-CB 3.47Å; E61-K64 PolarHBondContact O-N 3.11Å; E61-K64 VanDerWaalsContact OE1-CD 3.24Å; E61-K64 WeakPolarHBondContact OE1-CD 3.42Å; E61-K64 WeakPolarHBondContact OE1-CE 3.35Å; E61-K64 IonicContact OE1-NZ 2.7Å; E61-K64 PolarHBondContact OE1-NZ 2.69Å; E61-K64 IonicContact OE2-NZ 3.25Å; E61-D65 PolarHBondContact O-N 2.96Å |
| 62 | E | 52 | Low | 54.1 | Low | 147 Ų | 147 | 112.3 Ų | 112.3 | 69% | 0.687 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.1 | -37.7 | 175.2 | -58.8 | 176.3 | 145.3 | 0 | 0 | 113 | K64 D65 L66 | E62-K64 PolarHBondContact O-N 3.44Å; E62-D65 PolarHBondContact O-N 3.07Å; E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 PolarHBondContact O-N 2.88Å |
| 63 | C | 45.1 | Very low | 53.9 | Low | 44 Ų | 44 | 112.1 Ų | 112.1 | 30% | 0.297 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -30.5 | 176.3 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | E61 I67 | E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 2.96Å; C63-I67 VanDerWaalsContact O-CD1 3.23Å; C63-I67 WeakPolarHBondContact O-CD1 3.43Å; C63-I67 WeakPolarHBondContact O-CG1 3.32Å; C63-I67 PolarHBondContact O-N 3.49Å; C63-I67 VanDerWaalsContact O-N 3.09Å |
| 64 | K | 54.9 | Low | 54.1 | Low | 98 Ų | 98 | 109.5 Ų | 109.5 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -46.8 | -179.4 | -165.8 | -179 | 179.3 | 176.6 | 0 | 110.7 | E61 E62 K68 | E61-K64 VanDerWaalsContact CD-CD 3.49Å; E61-K64 HydrophobicContact CG-CD 4.37Å; E61-K64 WeakPolarHBondContact O-CA 3.32Å; E61-K64 WeakPolarHBondContact O-CB 3.47Å; E61-K64 PolarHBondContact O-N 3.11Å; E61-K64 VanDerWaalsContact OE1-CD 3.24Å; E61-K64 WeakPolarHBondContact OE1-CD 3.42Å; E61-K64 WeakPolarHBondContact OE1-CE 3.35Å; E61-K64 IonicContact OE1-NZ 2.7Å; E61-K64 PolarHBondContact OE1-NZ 2.69Å; E61-K64 IonicContact OE2-NZ 3.25Å; E62-K64 PolarHBondContact O-N 3.44Å; K64-K68 VanDerWaalsContact O-CB 3.26Å; K64-K68 WeakPolarHBondContact O-CB 3.23Å; K64-K68 PolarHBondContact O-N 3.48Å |
| 65 | D | 56.4 | Low | 54.1 | Low | 83 Ų | 83 | 113.7 Ų | 113.7 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.8 | -32.6 | 178.4 | -75.8 | -47.5 | 0 | 0 | 0 | 112.2 | E61 E62 K68 F69 | E61-D65 PolarHBondContact O-N 2.96Å; E62-D65 PolarHBondContact O-N 3.07Å; D65-K68 PolarHBondContact O-N 3.34Å; D65-K68 IonicContact OD1-NZ 3.66Å; D65-K68 PolarHBondContact OD1-NZ 3.25Å; D65-F69 WeakPolarHBondContact O-CB 3.37Å; D65-F69 PolarHBondContact O-N 3.35Å |
| 66 | L | 53 | Low | 54 | Low | 80 Ų | 80 | 115 Ų | 115 | 42% | 0.419 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 170.1 | -179.4 | 60.7 | 0 | 0 | 0 | 111.9 | E62 F69 M70 | E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 PolarHBondContact O-N 2.88Å; L66-F69 PolarHBondContact O-N 3.43Å; L66-M70 HydrophobicContact CD1-CG 4.5Å; L66-M70 HydrophobicContact CG-SD 4.24Å; L66-M70 WeakPolarHBondContact O-CB 3.37Å; L66-M70 VanDerWaalsContact O-CG 3.31Å; L66-M70 WeakPolarHBondContact O-CG 3.12Å; L66-M70 PolarHBondContact O-N 3.18Å |
| 67 | I | 58.4 | Low | 54.1 | Low | 42 Ų | 42 | 110.9 Ų | 110.9 | 22% | 0.215 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 177.5 | -68.5 | 161.7 | 0 | 0 | 0 | 111.2 | L51 C63 F69 M70 L71 | L51-I67 HydrophobicContact CB-CD1 3.71Å; L51-I67 HydrophobicContact CD1-CD1 3.71Å; L51-I67 HydrophobicContact CD1-CG1 3.81Å; L51-I67 HydrophobicContact CG-CD1 4.19Å; C63-I67 VanDerWaalsContact O-CD1 3.23Å; C63-I67 WeakPolarHBondContact O-CD1 3.43Å; C63-I67 WeakPolarHBondContact O-CG1 3.32Å; C63-I67 PolarHBondContact O-N 3.49Å; C63-I67 VanDerWaalsContact O-N 3.09Å; I67-F69 VanDerWaalsContact C-N 3.26Å; I67-F69 PolarHBondContact O-N 2.99Å; I67-M70 PolarHBondContact O-N 2.77Å; I67-L71 HydrophobicContact CG2-CD1 3.85Å; I67-L71 HydrophobicContact CG2-CG 4.47Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 2.87Å |
| 68 | K | 66.9 | Low | 55 | Low | 138 Ų | 138 | 106.1 Ų | 106.1 | 60% | 0.6 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.8 | -36.4 | 178.3 | -177.1 | -178.3 | 172.8 | -167.2 | 0 | 111.8 | K64 D65 R72 | K64-K68 VanDerWaalsContact O-CB 3.26Å; K64-K68 WeakPolarHBondContact O-CB 3.23Å; K64-K68 PolarHBondContact O-N 3.48Å; D65-K68 PolarHBondContact O-N 3.34Å; D65-K68 IonicContact OD1-NZ 3.66Å; D65-K68 PolarHBondContact OD1-NZ 3.25Å; K68-R72 WeakPolarHBondContact O-CB 3.26Å; K68-R72 PolarHBondContact O-N 2.87Å |
| 69 | F | 59.6 | Low | 55.5 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 38% | 0.382 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.5 | -45.4 | 174.8 | 177.1 | -100.1 | 0 | 0 | 0 | 111.9 | D65 L66 I67 L71 R72 N73 F314 | D65-F69 WeakPolarHBondContact O-CB 3.37Å; D65-F69 PolarHBondContact O-N 3.35Å; L66-F69 PolarHBondContact O-N 3.43Å; I67-F69 VanDerWaalsContact C-N 3.26Å; I67-F69 PolarHBondContact O-N 2.99Å; F69-L71 PolarHBondContact O-N 3.27Å; F69-R72 PolarHBondContact O-N 3.3Å; F69-N73 WeakPolarHBondContact CD1-ND2 3.44Å; F69-N73 WeakPolarHBondContact CD2-ND2 3.47Å; F69-N73 VanDerWaalsContact CE1-ND2 3.33Å; F69-N73 WeakPolarHBondContact CE1-ND2 2.91Å; F69-N73 VanDerWaalsContact CE2-ND2 3.3Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.29Å; F69-N73 WeakPolarHBondContact CG-ND2 3.33Å; F69-N73 VanDerWaalsContact CZ-ND2 3.29Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.21Å; F69-N73 PolarHBondContact O-N 2.83Å; F69-N73 PolarHBondContact O-ND2 3.39Å; F69-F314 AromaticContact CE1-CE1 3.93Å; F69-F314 HydrophobicContact CE1-CE1 3.93Å; F69-F314 HydrophobicContact CE1-CE2 4.23Å; F69-F314 AromaticContact CE1-CZ 3.47Å; F69-F314 HydrophobicContact CE1-CZ 3.47Å; F69-F314 VanDerWaalsContact CE1-CZ 3.47Å; F69-F314 HydrophobicContact CZ-CZ 4.04Å |
| 70 | M | 52.2 | Low | 56.5 | Low | 78 Ų | 78 | 99.6 Ų | 99.6 | 38% | 0.384 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53.4 | -56 | 173.5 | -76.5 | 169.7 | 59.3 | 0 | 0 | 111.2 | L47 L66 I67 R72 N73 E74 | L47-M70 HydrophobicContact CD2-CE 4.3Å; L66-M70 HydrophobicContact CD1-CG 4.5Å; L66-M70 HydrophobicContact CG-SD 4.24Å; L66-M70 WeakPolarHBondContact O-CB 3.37Å; L66-M70 VanDerWaalsContact O-CG 3.31Å; L66-M70 WeakPolarHBondContact O-CG 3.12Å; L66-M70 PolarHBondContact O-N 3.18Å; I67-M70 PolarHBondContact O-N 2.77Å; M70-R72 PolarHBondContact O-N 3.44Å; M70-N73 PolarHBondContact O-N 2.87Å; M70-E74 WeakPolarHBondContact O-CB 3.29Å; M70-E74 PolarHBondContact O-N 3.47Å |
| 71 | L | 55.9 | Low | 57.6 | Low | 86 Ų | 86 | 95.7 Ų | 95.7 | 45% | 0.45 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -30.3 | -179.1 | -67.5 | 169.9 | 0 | 0 | 0 | 113.1 | L44 I67 F69 R75 | L44-L71 HydrophobicContact CD2-CD2 4.19Å; I67-L71 HydrophobicContact CG2-CD1 3.85Å; I67-L71 HydrophobicContact CG2-CG 4.47Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 2.87Å; F69-L71 PolarHBondContact O-N 3.27Å; L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 PolarHBondContact O-N 3.48Å |
| 72 | R | 61.9 | Low | 58.5 | Low | 178 Ų | 178 | 95.3 Ų | 95.3 | 67% | 0.672 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -73.8 | -47.3 | 176.1 | -164.6 | 179.1 | -160.4 | 179.3 | 6 | 111.8 | K68 F69 M70 Q76 | K68-R72 WeakPolarHBondContact O-CB 3.26Å; K68-R72 PolarHBondContact O-N 2.87Å; F69-R72 PolarHBondContact O-N 3.3Å; M70-R72 PolarHBondContact O-N 3.44Å; R72-Q76 WeakPolarHBondContact O-CG 3.26Å; R72-Q76 PolarHBondContact O-N 3.4Å; R72-Q76 VanDerWaalsContact O-N 3.09Å |
| 73 | N | 50.7 | Low | 59.4 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.4 | -73.6 | -87.6 | 0 | 0 | 0 | 111.5 | F69 M70 R75 Q76 F77 K310 | F69-N73 WeakPolarHBondContact CD1-ND2 3.44Å; F69-N73 WeakPolarHBondContact CD2-ND2 3.47Å; F69-N73 VanDerWaalsContact CE1-ND2 3.33Å; F69-N73 WeakPolarHBondContact CE1-ND2 2.91Å; F69-N73 VanDerWaalsContact CE2-ND2 3.3Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.29Å; F69-N73 WeakPolarHBondContact CG-ND2 3.33Å; F69-N73 VanDerWaalsContact CZ-ND2 3.29Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.21Å; F69-N73 PolarHBondContact O-N 2.83Å; F69-N73 PolarHBondContact O-ND2 3.39Å; M70-N73 PolarHBondContact O-N 2.87Å; N73-R75 PolarHBondContact O-N 3.47Å; N73-Q76 PolarHBondContact O-N 2.58Å; N73-F77 WeakPolarHBondContact O-CB 3.4Å; N73-F77 PolarHBondContact O-N 3.45Å; N73-K310 PolarHBondContact OD1-NZ 2.84Å |
| 74 | E | 57.3 | Low | 61 | Low | 59 Ų | 59 | 94.4 Ų | 94.4 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 179.5 | -167 | -162.9 | 145.7 | 0 | 0 | 111.4 | M70 F77 K78 | M70-E74 WeakPolarHBondContact O-CB 3.29Å; M70-E74 PolarHBondContact O-N 3.47Å; E74-F77 PolarHBondContact O-N 3.42Å; E74-K78 HydrophobicContact CG-CD 4.31Å; E74-K78 WeakPolarHBondContact O-CB 3.36Å; E74-K78 WeakPolarHBondContact O-CG 3.47Å; E74-K78 PolarHBondContact O-N 3.42Å; E74-K78 WeakPolarHBondContact OE1-CE 3.47Å; E74-K78 IonicContact OE1-NZ 2.85Å; E74-K78 PolarHBondContact OE1-NZ 3.38Å |
| 75 | R | 52.4 | Low | 62.1 | Low | 186 Ų | 186 | 91.2 Ų | 91.2 | 70% | 0.702 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.8 | -50.9 | 173.8 | -174.5 | -177.5 | -62.3 | -165.2 | -1.2 | 111.4 | L71 N73 F77 K78 E79 | L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 PolarHBondContact O-N 3.48Å; N73-R75 PolarHBondContact O-N 3.47Å; R75-F77 VanDerWaalsContact C-N 3.32Å; R75-F77 PolarHBondContact O-N 2.83Å; R75-K78 PolarHBondContact O-N 3.39Å; R75-E79 WeakPolarHBondContact O-CB 3.34Å; R75-E79 PolarHBondContact O-N 2.87Å |
| 76 | Q | 49.1 | Very low | 63.2 | Low | 108 Ų | 108 | 93.1 Ų | 93.1 | 51% | 0.505 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | -178.6 | -71.3 | 179.6 | -58.5 | 0 | 0 | 112.5 | R72 N73 E79 E80 | R72-Q76 WeakPolarHBondContact O-CG 3.26Å; R72-Q76 PolarHBondContact O-N 3.4Å; R72-Q76 VanDerWaalsContact O-N 3.09Å; N73-Q76 PolarHBondContact O-N 2.58Å; Q76-E79 PolarHBondContact O-N 3.45Å; Q76-E80 WeakPolarHBondContact O-CB 3.44Å; Q76-E80 PolarHBondContact O-N 2.97Å |
| 77 | F | 56.4 | Low | 64.7 | Low | 98 Ų | 98 | 96.5 Ų | 96.5 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 174.7 | 179 | -107.5 | 0 | 0 | 0 | 112.4 | N73 E74 R75 E79 K81 | N73-F77 WeakPolarHBondContact O-CB 3.4Å; N73-F77 PolarHBondContact O-N 3.45Å; E74-F77 PolarHBondContact O-N 3.42Å; R75-F77 VanDerWaalsContact C-N 3.32Å; R75-F77 PolarHBondContact O-N 2.83Å; F77-E79 VanDerWaalsContact C-N 3.34Å; F77-K81 VanDerWaalsContact O-CB 3.27Å; F77-K81 WeakPolarHBondContact O-CB 3.39Å; F77-K81 PolarHBondContact O-N 3.5Å; F77-K81 VanDerWaalsContact O-N 3.07Å |
| 78 | K | 66.4 | Low | 65.8 | Low | 66 Ų | 66 | 97.7 Ų | 97.7 | 29% | 0.287 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 173.5 | -74.6 | 175.6 | 173.8 | 178.5 | 0 | 111.7 | E40 E74 R75 L82 | E40-K78 WeakPolarHBondContact OE1-CE 3.18Å; E40-K78 IonicContact OE1-NZ 3.92Å; E40-K78 PolarHBondContact OE1-NZ 3.05Å; E40-K78 IonicContact OE2-NZ 3.97Å; E40-K78 PolarHBondContact OE2-NZ 3.36Å; E74-K78 HydrophobicContact CG-CD 4.31Å; E74-K78 WeakPolarHBondContact O-CB 3.36Å; E74-K78 WeakPolarHBondContact O-CG 3.47Å; E74-K78 PolarHBondContact O-N 3.42Å; E74-K78 WeakPolarHBondContact OE1-CE 3.47Å; E74-K78 IonicContact OE1-NZ 2.85Å; E74-K78 PolarHBondContact OE1-NZ 3.38Å; R75-K78 PolarHBondContact O-N 3.39Å; K78-L82 WeakPolarHBondContact O-CB 3.44Å; K78-L82 WeakPolarHBondContact O-CD1 3.15Å; K78-L82 WeakPolarHBondContact O-CG 3.31Å; K78-L82 PolarHBondContact O-N 3.22Å |
| 79 | E | 64.4 | Low | 66.4 | Low | 127 Ų | 127 | 93.9 Ų | 93.9 | 59% | 0.593 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.7 | -50.6 | 177.3 | -169.5 | 171.6 | -171.9 | 0 | 0 | 112.5 | R75 Q76 F77 K81 L82 A83 | R75-E79 WeakPolarHBondContact O-CB 3.34Å; R75-E79 PolarHBondContact O-N 2.87Å; Q76-E79 PolarHBondContact O-N 3.45Å; F77-E79 VanDerWaalsContact C-N 3.34Å; E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 2.8Å; E79-L82 PolarHBondContact O-N 2.97Å; E79-A83 PolarHBondContact O-N 3.21Å |
| 80 | E | 67.6 | Low | 67.8 | Low | 103 Ų | 103 | 92.9 Ų | 92.9 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 174.9 | -171.1 | -176.5 | -172 | 0 | 0 | 111 | Q76 L82 A83 E84 R307 | Q76-E80 WeakPolarHBondContact O-CB 3.44Å; Q76-E80 PolarHBondContact O-N 2.97Å; E80-L82 PolarHBondContact O-N 2.85Å; E80-A83 PolarHBondContact O-N 2.96Å; E80-E84 PolarHBondContact O-N 3.23Å; E80-R307 IonicContact OE1-CZ 2.69Å; E80-R307 IonicContact OE1-NH1 3.38Å; E80-R307 PolarHBondContact OE1-NH1 3.11Å; E80-R307 IonicContact OE2-CZ 2.7Å; E80-R307 IonicContact OE2-NH1 2.58Å; E80-R307 PolarHBondContact OE2-NH1 2.97Å |
| 81 | K | 75.3 | Confident | 69.6 | Low | 53 Ų | 53 | 91.4 Ų | 91.4 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.4 | -27.2 | -179.3 | -168.4 | 158.6 | -168.2 | 175.3 | 0 | 113.7 | F77 E79 Q85 | F77-K81 VanDerWaalsContact O-CB 3.27Å; F77-K81 WeakPolarHBondContact O-CB 3.39Å; F77-K81 PolarHBondContact O-N 3.5Å; F77-K81 VanDerWaalsContact O-N 3.07Å; E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 2.8Å; K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 3.04Å |
| 82 | L | 71.6 | Confident | 71.2 | Confident | 102 Ų | 102 | 88.3 Ų | 88.3 | 53% | 0.534 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.7 | -40.5 | 171.8 | -80.5 | 168.8 | 0 | 0 | 0 | 111.6 | K78 E79 E80 E84 Q85 L86 | K78-L82 WeakPolarHBondContact O-CB 3.44Å; K78-L82 WeakPolarHBondContact O-CD1 3.15Å; K78-L82 WeakPolarHBondContact O-CG 3.31Å; K78-L82 PolarHBondContact O-N 3.22Å; E79-L82 PolarHBondContact O-N 2.97Å; E80-L82 PolarHBondContact O-N 2.85Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.49Å; L82-Q85 PolarHBondContact O-N 2.73Å; L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 PolarHBondContact O-N 2.75Å |
| 83 | A | 72.5 | Confident | 72.5 | Confident | 63 Ų | 63 | 87 Ų | 87 | 52% | 0.521 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E79 E80 L86 K87 | E79-A83 PolarHBondContact O-N 3.21Å; E80-A83 PolarHBondContact O-N 2.96Å; A83-L86 PolarHBondContact O-N 3.27Å; A83-K87 PolarHBondContact O-N 2.97Å |
| 84 | E | 78.3 | Confident | 74.5 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.3 | -173.8 | 172.1 | -128.2 | 0 | 0 | 112.3 | E80 L82 K87 Q88 | E80-E84 PolarHBondContact O-N 3.23Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.49Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-Q88 WeakPolarHBondContact O-CG 3.26Å; E84-Q88 PolarHBondContact O-N 3.22Å |
| 85 | Q | 77.8 | Confident | 76.2 | Confident | 31 Ų | 31 | 89.7 Ų | 89.7 | 15% | 0.145 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 176.4 | -71.7 | -170.5 | -87.8 | 0 | 0 | 112.8 | K81 L82 Q88 A89 | K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 3.04Å; L82-Q85 PolarHBondContact O-N 2.73Å; Q85-Q88 PolarHBondContact O-N 3.38Å; Q85-A89 WeakPolarHBondContact O-CB 3.25Å; Q85-A89 PolarHBondContact O-N 3.48Å |
| 86 | L | 78.6 | Confident | 78.1 | Confident | 122 Ų | 122 | 84.1 Ų | 84.1 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 176.8 | -159.1 | 165.5 | 0 | 0 | 0 | 110.4 | L82 A83 Q88 A89 E90 | L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 PolarHBondContact O-N 2.75Å; A83-L86 PolarHBondContact O-N 3.27Å; L86-Q88 PolarHBondContact O-N 2.9Å; L86-A89 PolarHBondContact O-N 3.32Å; L86-E90 PolarHBondContact O-N 2.88Å |
| 87 | K | 85.4 | Confident | 80.2 | Confident | 151 Ų | 151 | 83.6 Ų | 83.6 | 66% | 0.657 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.4 | -46.3 | 173.3 | -168.6 | -166.1 | 173.9 | -159.5 | 0 | 111.9 | A83 E84 A89 E90 E91 | A83-K87 PolarHBondContact O-N 2.97Å; E84-K87 PolarHBondContact O-N 3.36Å; K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 2.88Å; K87-E90 PolarHBondContact O-N 2.81Å; K87-E91 WeakPolarHBondContact O-CB 3.38Å; K87-E91 PolarHBondContact O-N 3.49Å |
| 88 | Q | 81.4 | Confident | 82 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 32% | 0.318 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.1 | -72.4 | 173.4 | -16.5 | 0 | 0 | 112.4 | E84 Q85 L86 L92 | E84-Q88 WeakPolarHBondContact O-CG 3.26Å; E84-Q88 PolarHBondContact O-N 3.22Å; Q85-Q88 PolarHBondContact O-N 3.38Å; L86-Q88 PolarHBondContact O-N 2.9Å; Q88-L92 WeakPolarHBondContact O-CB 3.26Å; Q88-L92 PolarHBondContact O-N 3.15Å |
| 89 | A | 80.3 | Confident | 83.4 | Confident | 57 Ų | 57 | 79 Ų | 79 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q85 L86 K87 L92 R93 | Q85-A89 WeakPolarHBondContact O-CB 3.25Å; Q85-A89 PolarHBondContact O-N 3.48Å; L86-A89 PolarHBondContact O-N 3.32Å; K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 2.88Å; A89-L92 PolarHBondContact O-N 3.07Å; A89-R93 WeakPolarHBondContact O-CB 3.35Å; A89-R93 PolarHBondContact O-N 3.48Å |
| 90 | E | 88.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71 | -36.7 | 176.2 | -175.1 | 59.5 | -153.1 | 0 | 0 | 111.8 | L86 K87 R93 Q94 | L86-E90 PolarHBondContact O-N 2.88Å; K87-E90 PolarHBondContact O-N 2.81Å; E90-R93 VanDerWaalsContact CD-NH1 3.3Å; E90-R93 WeakPolarHBondContact O-CB 3.17Å; E90-R93 PolarHBondContact O-N 2.84Å; E90-R93 IonicContact OE1-CZ 2.79Å; E90-R93 IonicContact OE1-NH1 2.64Å; E90-R93 PolarHBondContact OE1-NH1 2.84Å; E90-R93 WeakPolarHBondContact OE2-CD 3.35Å; E90-R93 IonicContact OE2-CZ 3.21Å; E90-R93 IonicContact OE2-NE 2.77Å; E90-R93 IonicContact OE2-NH1 2.72Å; E90-R93 PolarHBondContact OE2-NH1 3.11Å; E90-Q94 VanDerWaalsContact O-CG 3.29Å; E90-Q94 WeakPolarHBondContact O-CG 3.44Å; E90-Q94 PolarHBondContact O-N 2.86Å; E90-Q94 PolarHBondContact OE1-NE2 3.24Å |
| 91 | E | 90.8 | Very high | 85.7 | Confident | 47 Ų | 47 | 75.3 Ų | 75.3 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 171 | -170 | -178.9 | 153.2 | 0 | 0 | 110.9 | K87 R93 Q94 Y95 L363 K367 | K87-E91 WeakPolarHBondContact O-CB 3.38Å; K87-E91 PolarHBondContact O-N 3.49Å; E91-R93 VanDerWaalsContact C-N 3.3Å; E91-R93 PolarHBondContact O-N 3.41Å; E91-Q94 PolarHBondContact O-N 3.37Å; E91-Y95 HydrophobicContact CG-CD2 4.09Å; E91-Y95 HydrophobicContact CG-CE2 3.97Å; E91-Y95 VanDerWaalsContact O-CD2 3.31Å; E91-Y95 WeakPolarHBondContact O-CD2 3.26Å; E91-Y95 PolarHBondContact O-N 3.12Å; E91-L363 HydrophobicContact CG-CD1 4.18Å; E91-K367 WeakPolarHBondContact OE1-CE 3.45Å; E91-K367 IonicContact OE1-NZ 3.14Å; E91-K367 PolarHBondContact OE1-NZ 2.99Å |
| 92 | L | 88.1 | Confident | 86.6 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 175.6 | 180 | 63.4 | 0 | 0 | 0 | 112.7 | Q88 A89 K96 E362 L363 Y366 | Q88-L92 WeakPolarHBondContact O-CB 3.26Å; Q88-L92 PolarHBondContact O-N 3.15Å; A89-L92 PolarHBondContact O-N 3.07Å; L92-K96 HydrophobicContact CG-CD 4.49Å; L92-K96 WeakPolarHBondContact O-CG 3.34Å; L92-K96 PolarHBondContact O-N 3.43Å; L92-E362 HydrophobicContact CD1-CG 4.14Å; L92-E362 HydrophobicContact CD2-CG 4.49Å; L92-L363 HydrophobicContact CB-CD1 4.34Å; L92-L363 HydrophobicContact CD1-CB 4.28Å; L92-L363 HydrophobicContact CD1-CD1 4.31Å; L92-Y366 HydrophobicContact CD1-CD2 3.6Å; L92-Y366 HydrophobicContact CD1-CE2 4.12Å; L92-Y366 HydrophobicContact CD1-CG 4.44Å |
| 93 | R | 90.6 | Very high | 87.5 | Confident | 151 Ų | 151 | 73.3 Ų | 73.3 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 174.7 | 179 | -172.7 | 171.2 | -137.8 | -3.8 | 111.8 | A89 E90 E91 K96 V97 | A89-R93 WeakPolarHBondContact O-CB 3.35Å; A89-R93 PolarHBondContact O-N 3.48Å; E90-R93 VanDerWaalsContact CD-NH1 3.3Å; E90-R93 WeakPolarHBondContact O-CB 3.17Å; E90-R93 PolarHBondContact O-N 2.84Å; E90-R93 IonicContact OE1-CZ 2.79Å; E90-R93 IonicContact OE1-NH1 2.64Å; E90-R93 PolarHBondContact OE1-NH1 2.84Å; E90-R93 WeakPolarHBondContact OE2-CD 3.35Å; E90-R93 IonicContact OE2-CZ 3.21Å; E90-R93 IonicContact OE2-NE 2.77Å; E90-R93 IonicContact OE2-NH1 2.72Å; E90-R93 PolarHBondContact OE2-NH1 3.11Å; E91-R93 VanDerWaalsContact C-N 3.3Å; E91-R93 PolarHBondContact O-N 3.41Å; R93-K96 PolarHBondContact O-N 3.3Å; R93-V97 WeakPolarHBondContact O-CG2 3.1Å; R93-V97 PolarHBondContact O-N 2.86Å |
| 94 | Q | 92.8 | Very high | 88.5 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 177 | -72.4 | 167.5 | 11.2 | 0 | 0 | 111.2 | E90 E91 K96 V97 L98 | E90-Q94 VanDerWaalsContact O-CG 3.29Å; E90-Q94 WeakPolarHBondContact O-CG 3.44Å; E90-Q94 PolarHBondContact O-N 2.86Å; E90-Q94 PolarHBondContact OE1-NE2 3.24Å; E91-Q94 PolarHBondContact O-N 3.37Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3.01Å; Q94-V97 PolarHBondContact O-N 3.44Å; Q94-L98 WeakPolarHBondContact O-CB 3.42Å; Q94-L98 PolarHBondContact O-N 2.88Å |
| 95 | Y | 91.9 | Very high | 89.2 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 173.6 | -85.8 | -73.6 | 0 | 0 | 0 | 112.9 | E91 L98 V99 L363 K367 V370 | E91-Y95 HydrophobicContact CG-CD2 4.09Å; E91-Y95 HydrophobicContact CG-CE2 3.97Å; E91-Y95 VanDerWaalsContact O-CD2 3.31Å; E91-Y95 WeakPolarHBondContact O-CD2 3.26Å; E91-Y95 PolarHBondContact O-N 3.12Å; Y95-L98 PolarHBondContact O-N 3.07Å; Y95-V99 PolarHBondContact O-N 2.62Å; Y95-L363 HydrophobicContact CD2-CD1 3.61Å; Y95-L363 HydrophobicContact CE2-CD1 4.14Å; Y95-L363 HydrophobicContact CG-CD1 4.35Å; Y95-K367 HydrophobicContact CD1-CG 4.12Å; Y95-K367 HydrophobicContact CD2-CG 4.45Å; Y95-K367 HydrophobicContact CE1-CG 3.6Å; Y95-K367 HydrophobicContact CE2-CD 4.28Å; Y95-K367 HydrophobicContact CE2-CG 3.97Å; Y95-K367 VanDerWaalsContact CZ-CE 3.41Å; Y95-K367 WeakPolarHBondContact OH-CE 3.45Å; Y95-V370 HydrophobicContact CD1-CB 4.47Å; Y95-V370 HydrophobicContact CD1-CG2 3.88Å; Y95-V370 HydrophobicContact CE1-CG2 4.38Å |
| 96 | K | 92.8 | Very high | 89.9 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 30% | 0.296 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.5 | -78.5 | 175.6 | 179.8 | -174.8 | 0 | 112.6 | L92 R93 Q94 H100 E362 Y366 | L92-K96 HydrophobicContact CG-CD 4.49Å; L92-K96 WeakPolarHBondContact O-CG 3.34Å; L92-K96 PolarHBondContact O-N 3.43Å; R93-K96 PolarHBondContact O-N 3.3Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3.01Å; K96-H100 PolarHBondContact O-N 3.46Å; K96-H100 PolarHBondContact O-ND1 2.88Å; K96-E362 VanDerWaalsContact CE-OE1 3.26Å; K96-E362 WeakPolarHBondContact CE-OE1 3.49Å; K96-E362 IonicContact NZ-OE1 2.72Å; K96-E362 PolarHBondContact NZ-OE1 3.18Å; K96-Y366 HydrophobicContact CD-CE2 4.22Å; K96-Y366 VanDerWaalsContact CE-CZ 3.49Å; K96-Y366 WeakPolarHBondContact CE-OH 3.29Å; K96-Y366 HydrophobicContact CG-CD1 4.23Å; K96-Y366 HydrophobicContact CG-CD2 4.34Å; K96-Y366 HydrophobicContact CG-CE1 3.73Å; K96-Y366 HydrophobicContact CG-CE2 3.84Å |
| 97 | V | 93.8 | Very high | 90.5 | Very high | 97 Ų | 97 | 71.8 Ų | 71.8 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | R93 Q94 H100 S101 | R93-V97 WeakPolarHBondContact O-CG2 3.1Å; R93-V97 PolarHBondContact O-N 2.86Å; Q94-V97 PolarHBondContact O-N 3.44Å; V97-H100 PolarHBondContact O-N 3.42Å; V97-S101 PolarHBondContact O-N 3.34Å |
| 98 | L | 94.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 178.3 | -177.9 | 56.7 | 0 | 0 | 0 | 112 | Q94 Y95 H100 S101 Q102 V370 | Q94-L98 WeakPolarHBondContact O-CB 3.42Å; Q94-L98 PolarHBondContact O-N 2.88Å; Y95-L98 PolarHBondContact O-N 3.07Å; L98-H100 PolarHBondContact O-N 2.83Å; L98-S101 WeakPolarHBondContact O-CA 3.48Å; L98-S101 WeakPolarHBondContact O-CB 3.19Å; L98-S101 PolarHBondContact O-N 3.07Å; L98-Q102 HydrophobicContact CD1-CG 4.05Å; L98-Q102 HydrophobicContact CG-CG 4.43Å; L98-Q102 WeakPolarHBondContact O-CG 3.35Å; L98-Q102 PolarHBondContact O-N 2.92Å; L98-V370 HydrophobicContact CD2-CG1 3.78Å; L98-V370 HydrophobicContact CD2-CG2 4.01Å; L98-V370 HydrophobicContact CG-CG1 4.42Å; L98-V370 HydrophobicContact CG-CG2 4.12Å |
| 99 | V | 93.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 176.2 | 166.2 | 0 | 0 | 0 | 0 | 111.9 | Y95 S101 Q102 E103 Y366 L369 V370 | Y95-V99 PolarHBondContact O-N 2.62Å; V99-S101 PolarHBondContact O-N 3.32Å; V99-Q102 PolarHBondContact O-N 3.5Å; V99-E103 VanDerWaalsContact O-CB 3.23Å; V99-E103 WeakPolarHBondContact O-CB 3.43Å; V99-E103 PolarHBondContact O-N 2.82Å; V99-Y366 HydrophobicContact CB-CD1 4.49Å; V99-Y366 HydrophobicContact CG2-CD1 3.87Å; V99-Y366 HydrophobicContact CG2-CE1 4.41Å; V99-L369 HydrophobicContact CG1-CD2 3.72Å; V99-L369 HydrophobicContact CG1-CG 4.3Å; V99-L369 HydrophobicContact CG2-CD2 4.08Å; V99-L369 HydrophobicContact CG2-CG 4.14Å; V99-V370 HydrophobicContact CG2-CG2 3.46Å; V99-V370 VanDerWaalsContact CG2-CG2 3.46Å |
| 100 | H | 90.1 | Very high | 92 | Very high | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.1 | -16.3 | 177 | -71.2 | 78.7 | 0 | 0 | 0 | 113.3 | K96 V97 L98 R104 | K96-H100 PolarHBondContact O-N 3.46Å; K96-H100 PolarHBondContact O-ND1 2.88Å; V97-H100 PolarHBondContact O-N 3.42Å; L98-H100 PolarHBondContact O-N 2.83Å; H100-R104 WeakPolarHBondContact O-CD 3.33Å; H100-R104 WeakPolarHBondContact O-CG 3.44Å; H100-R104 VanDerWaalsContact O-CZ 3.29Å; H100-R104 PolarHBondContact O-NE 3.03Å; H100-R104 PolarHBondContact O-NH1 3.18Å; H100-R104 VanDerWaalsContact O-NH1 3.14Å |
| 101 | S | 91.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 73.1 Ų | 73.1 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -82.9 | -49.5 | 172.3 | -158.6 | 0 | 0 | 0 | 0 | 110.5 | V97 L98 V99 E103 R104 E105 | V97-S101 PolarHBondContact O-N 3.34Å; L98-S101 WeakPolarHBondContact O-CA 3.48Å; L98-S101 WeakPolarHBondContact O-CB 3.19Å; L98-S101 PolarHBondContact O-N 3.07Å; V99-S101 PolarHBondContact O-N 3.32Å; S101-E103 VanDerWaalsContact C-N 3.32Å; S101-E103 PolarHBondContact O-N 3.42Å; S101-R104 PolarHBondContact O-N 2.97Å; S101-E105 PolarHBondContact O-N 3.39Å; S101-E105 VanDerWaalsContact O-N 3.1Å |
| 102 | Q | 92.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 72.5 Ų | 72.5 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 178.6 | -69.3 | 175.9 | -31 | 0 | 0 | 111.7 | L98 V99 R104 E105 L106 Q373 E374 L377 | L98-Q102 HydrophobicContact CD1-CG 4.05Å; L98-Q102 HydrophobicContact CG-CG 4.43Å; L98-Q102 WeakPolarHBondContact O-CG 3.35Å; L98-Q102 PolarHBondContact O-N 2.92Å; V99-Q102 PolarHBondContact O-N 3.5Å; Q102-R104 PolarHBondContact O-N 3.46Å; Q102-E105 PolarHBondContact O-N 3.32Å; Q102-L106 WeakPolarHBondContact O-CB 3.43Å; Q102-L106 VanDerWaalsContact O-CG 3.24Å; Q102-L106 WeakPolarHBondContact O-CG 3.42Å; Q102-L106 PolarHBondContact O-N 2.85Å; Q102-Q373 HydrophobicContact CB-CB 4.05Å; Q102-E374 VanDerWaalsContact NE2-CG 3.33Å; Q102-L377 HydrophobicContact CB-CD1 3.92Å; Q102-L377 HydrophobicContact CG-CD1 3.79Å |
| 103 | E | 92.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 72 Ų | 72 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.1 | -174.8 | 173.6 | -156.8 | 0 | 0 | 113.3 | V99 S101 T107 | V99-E103 VanDerWaalsContact O-CB 3.23Å; V99-E103 WeakPolarHBondContact O-CB 3.43Å; V99-E103 PolarHBondContact O-N 2.82Å; S101-E103 VanDerWaalsContact C-N 3.32Å; S101-E103 PolarHBondContact O-N 3.42Å; E103-T107 WeakPolarHBondContact O-CB 3.37Å; E103-T107 PolarHBondContact O-N 3.4Å; E103-T107 PolarHBondContact O-OG1 3.09Å |
| 104 | R | 91.6 | Very high | 92.5 | Very high | 157 Ų | 157 | 72 Ų | 72 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.3 | -44.2 | 174.4 | -68.6 | 175.4 | -165.7 | 121.4 | 3.5 | 111.4 | H100 S101 Q102 T107 Q108 | H100-R104 WeakPolarHBondContact O-CD 3.33Å; H100-R104 WeakPolarHBondContact O-CG 3.44Å; H100-R104 VanDerWaalsContact O-CZ 3.29Å; H100-R104 PolarHBondContact O-NE 3.03Å; H100-R104 PolarHBondContact O-NH1 3.18Å; H100-R104 VanDerWaalsContact O-NH1 3.14Å; S101-R104 PolarHBondContact O-N 2.97Å; Q102-R104 PolarHBondContact O-N 3.46Å; R104-T107 WeakPolarHBondContact O-CB 3.27Å; R104-T107 PolarHBondContact O-N 2.84Å; R104-Q108 WeakPolarHBondContact O-CG 3.35Å; R104-Q108 PolarHBondContact O-N 3.12Å |
| 105 | E | 93.9 | Very high | 92.4 | Very high | 61 Ų | 61 | 70.6 Ų | 70.6 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.4 | -169.3 | -177 | 171.9 | 0 | 0 | 111 | S101 Q102 T107 Q108 L109 L377 K381 | S101-E105 PolarHBondContact O-N 3.39Å; S101-E105 VanDerWaalsContact O-N 3.1Å; Q102-E105 PolarHBondContact O-N 3.32Å; E105-T107 VanDerWaalsContact C-N 3.29Å; E105-T107 PolarHBondContact O-N 2.78Å; E105-Q108 PolarHBondContact O-N 2.99Å; E105-L109 HydrophobicContact CG-CD1 4.12Å; E105-L109 VanDerWaalsContact O-CG 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 2.89Å; E105-L377 HydrophobicContact CB-CD2 3.93Å; E105-L377 HydrophobicContact CG-CD2 3.64Å; E105-K381 WeakPolarHBondContact OE1-CE 3.31Å; E105-K381 IonicContact OE1-NZ 3.88Å; E105-K381 PolarHBondContact OE1-NZ 3.3Å |
| 106 | L | 92.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.4 | -43.7 | 171.4 | -76.5 | 171.9 | 0 | 0 | 0 | 111.7 | Q102 L109 R110 Q373 E376 L377 L380 | Q102-L106 WeakPolarHBondContact O-CB 3.43Å; Q102-L106 VanDerWaalsContact O-CG 3.24Å; Q102-L106 WeakPolarHBondContact O-CG 3.42Å; Q102-L106 PolarHBondContact O-N 2.85Å; L106-L109 PolarHBondContact O-N 3.4Å; L106-R110 VanDerWaalsContact O-CB 3.28Å; L106-R110 WeakPolarHBondContact O-CB 3.45Å; L106-R110 WeakPolarHBondContact O-CD 3.31Å; L106-R110 WeakPolarHBondContact O-CG 3.42Å; L106-R110 PolarHBondContact O-N 3.4Å; L106-Q373 HydrophobicContact CD1-CB 3.94Å; L106-Q373 HydrophobicContact CD1-CG 3.83Å; L106-E376 HydrophobicContact CD2-CB 3.85Å; L106-E376 HydrophobicContact CD2-CG 3.73Å; L106-L377 HydrophobicContact CD2-CB 4.42Å; L106-L377 HydrophobicContact CD2-CD2 3.67Å; L106-L377 HydrophobicContact CD2-CG 3.7Å; L106-L377 HydrophobicContact CG-CD2 3.76Å; L106-L377 HydrophobicContact CG-CG 3.88Å; L106-L380 HydrophobicContact CD2-CD1 3.74Å |
| 107 | T | 92.1 | Very high | 92.5 | Very high | 72 Ų | 72 | 67.7 Ų | 67.7 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | E103 R104 E105 R110 E111 | E103-T107 WeakPolarHBondContact O-CB 3.37Å; E103-T107 PolarHBondContact O-N 3.4Å; E103-T107 PolarHBondContact O-OG1 3.09Å; R104-T107 WeakPolarHBondContact O-CB 3.27Å; R104-T107 PolarHBondContact O-N 2.84Å; E105-T107 VanDerWaalsContact C-N 3.29Å; E105-T107 PolarHBondContact O-N 2.78Å; T107-R110 PolarHBondContact O-N 3.47Å; T107-E111 WeakPolarHBondContact O-CB 3.4Å; T107-E111 PolarHBondContact O-N 2.87Å |
| 108 | Q | 92.4 | Very high | 92.4 | Very high | 123 Ų | 123 | 65.9 Ų | 65.9 | 58% | 0.575 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 178 | -70.6 | 170.4 | -30.5 | 0 | 0 | 112.9 | R104 E105 E111 K112 | R104-Q108 WeakPolarHBondContact O-CG 3.35Å; R104-Q108 PolarHBondContact O-N 3.12Å; E105-Q108 PolarHBondContact O-N 2.99Å; Q108-E111 PolarHBondContact O-N 3.32Å; Q108-K112 PolarHBondContact O-N 3.21Å |
| 109 | L | 92.1 | Very high | 92.3 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.4 | -39 | 178.8 | -61.9 | 171.8 | 0 | 0 | 0 | 111.9 | E105 L106 E111 K112 L113 L377 L380 K381 L384 | E105-L109 HydrophobicContact CG-CD1 4.12Å; E105-L109 VanDerWaalsContact O-CG 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 2.89Å; L106-L109 PolarHBondContact O-N 3.4Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 3.07Å; L109-K112 PolarHBondContact O-N 3.21Å; L109-L113 WeakPolarHBondContact O-CB 3.5Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.98Å; L109-L377 HydrophobicContact CD1-CD2 3.7Å; L109-L380 HydrophobicContact CB-CB 4.29Å; L109-L380 HydrophobicContact CB-CD1 4.4Å; L109-K381 HydrophobicContact CD1-CD 4.5Å; L109-K381 HydrophobicContact CD1-CG 3.88Å; L109-L384 HydrophobicContact CB-CD1 4.02Å; L109-L384 HydrophobicContact CD2-CD1 3.45Å; L109-L384 VanDerWaalsContact CD2-CD1 3.45Å; L109-L384 HydrophobicContact CG-CD1 4.28Å |
| 110 | R | 93 | Very high | 92.3 | Very high | 110 Ų | 110 | 64.1 Ų | 64.1 | 42% | 0.415 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 171.5 | -70.5 | 167.4 | -177.4 | 169.6 | -4 | 111.9 | L106 T107 R114 E376 L380 | L106-R110 VanDerWaalsContact O-CB 3.28Å; L106-R110 WeakPolarHBondContact O-CB 3.45Å; L106-R110 WeakPolarHBondContact O-CD 3.31Å; L106-R110 WeakPolarHBondContact O-CG 3.42Å; L106-R110 PolarHBondContact O-N 3.4Å; T107-R110 PolarHBondContact O-N 3.47Å; R110-R114 WeakPolarHBondContact O-CB 3.28Å; R110-R114 PolarHBondContact O-N 2.72Å; R110-R114 VanDerWaalsContact O-N 3.16Å; R110-E376 IonicContact CZ-OE1 2.83Å; R110-E376 IonicContact CZ-OE2 3.95Å; R110-E376 IonicContact NE-OE1 2.71Å; R110-E376 PolarHBondContact NE-OE1 3.23Å; R110-E376 IonicContact NH2-OE1 2.66Å; R110-E376 PolarHBondContact NH2-OE1 3.28Å; R110-E376 IonicContact NH2-OE2 3.25Å; R110-E376 PolarHBondContact NH2-OE2 3.17Å; R110-L380 HydrophobicContact CG-CD1 3.64Å |
| 111 | E | 92.2 | Very high | 92.5 | Very high | 112 Ų | 112 | 64.2 Ų | 64.2 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68 | -53 | 174 | -173.2 | 160.8 | -130.7 | 0 | 0 | 111 | T107 Q108 L109 L113 R114 E115 | T107-E111 WeakPolarHBondContact O-CB 3.4Å; T107-E111 PolarHBondContact O-N 2.87Å; Q108-E111 PolarHBondContact O-N 3.32Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 3.07Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.76Å; E111-R114 WeakPolarHBondContact O-CB 3.31Å; E111-R114 PolarHBondContact O-N 2.7Å; E111-E115 WeakPolarHBondContact O-CG 3.33Å; E111-E115 PolarHBondContact O-N 2.87Å |
| 112 | K | 92 | Very high | 92.6 | Very high | 34 Ų | 34 | 64.2 Ų | 64.2 | 15% | 0.148 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.5 | -40.4 | 174.2 | -84.1 | -176.4 | 171.4 | -93.8 | 0 | 113.5 | Q108 L109 E115 G116 L384 K432 S434 E436 | Q108-K112 PolarHBondContact O-N 3.21Å; L109-K112 PolarHBondContact O-N 3.21Å; K112-E115 PolarHBondContact O-N 2.88Å; K112-G116 PolarHBondContact O-N 3.49Å; K112-L384 HydrophobicContact CB-CD2 4Å; K112-K432 PolarHBondContact NZ-O 3.26Å; K112-S434 PolarHBondContact NZ-O 3.02Å; K112-E436 WeakPolarHBondContact CE-OE2 3.36Å; K112-E436 IonicContact NZ-OE2 3.76Å; K112-E436 PolarHBondContact NZ-OE2 2.97Å |
| 113 | L | 92.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 63.6 Ų | 63.6 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.6 | -79.6 | 167 | 0 | 0 | 0 | 112.4 | L109 E111 R117 L162 L380 K383 L384 | L109-L113 WeakPolarHBondContact O-CB 3.5Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.98Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.76Å; L113-R117 WeakPolarHBondContact O-CB 3.46Å; L113-R117 PolarHBondContact O-N 3.41Å; L113-L162 HydrophobicContact CD2-CD2 3.68Å; L113-L380 HydrophobicContact CD1-CB 3.95Å; L113-L380 HydrophobicContact CD1-CD2 3.51Å; L113-L380 HydrophobicContact CD1-CG 4.21Å; L113-K383 HydrophobicContact CD2-CB 3.97Å; L113-L384 HydrophobicContact CD1-CG 4.41Å; L113-L384 HydrophobicContact CD2-CD2 3.68Å; L113-L384 HydrophobicContact CD2-CG 3.7Å; L113-L384 HydrophobicContact CG-CD1 4.37Å; L113-L384 HydrophobicContact CG-CD2 3.73Å; L113-L384 HydrophobicContact CG-CG 3.73Å |
| 114 | R | 92 | Very high | 92.6 | Very high | 152 Ų | 152 | 61.4 Ų | 61.4 | 57% | 0.574 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.9 | -50.9 | 175.4 | -174.3 | -171.7 | -53.9 | 179 | 3.7 | 110.9 | R110 E111 G116 R117 D118 | R110-R114 WeakPolarHBondContact O-CB 3.28Å; R110-R114 PolarHBondContact O-N 2.72Å; R110-R114 VanDerWaalsContact O-N 3.16Å; E111-R114 WeakPolarHBondContact O-CB 3.31Å; E111-R114 PolarHBondContact O-N 2.7Å; R114-G116 VanDerWaalsContact C-N 3.29Å; R114-G116 PolarHBondContact O-N 2.97Å; R114-R117 WeakPolarHBondContact O-CB 3.31Å; R114-R117 PolarHBondContact O-N 3.33Å; R114-R117 VanDerWaalsContact O-N 3.15Å; R114-D118 PolarHBondContact O-N 3.3Å |
| 115 | E | 91.6 | Very high | 92.6 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 179 | -68.3 | -156.7 | 126.6 | 0 | 0 | 112.8 | E111 K112 A119 K432 | E111-E115 WeakPolarHBondContact O-CG 3.33Å; E111-E115 PolarHBondContact O-N 2.87Å; K112-E115 PolarHBondContact O-N 2.88Å; E115-A119 WeakPolarHBondContact O-CB 3.42Å; E115-A119 PolarHBondContact O-N 3.44Å; E115-K432 HydrophobicContact CB-CD 4.25Å; E115-K432 IonicContact OE1-NZ 3.79Å; E115-K432 PolarHBondContact OE1-NZ 3.39Å; E115-K432 WeakPolarHBondContact OE2-CE 3.27Å; E115-K432 IonicContact OE2-NZ 2.7Å; E115-K432 PolarHBondContact OE2-NZ 2.97Å |
| 116 | G | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K112 R114 D118 A119 S120 L429 | K112-G116 PolarHBondContact O-N 3.49Å; R114-G116 VanDerWaalsContact C-N 3.29Å; R114-G116 PolarHBondContact O-N 2.97Å; G116-D118 VanDerWaalsContact C-N 3.33Å; G116-D118 PolarHBondContact O-N 3.16Å; G116-A119 PolarHBondContact O-N 3.13Å; G116-S120 WeakPolarHBondContact O-CB 3.42Å; G116-S120 PolarHBondContact O-N 2.91Å; G116-S120 PolarHBondContact O-OG 2.84Å; G116-L429 WeakPolarHBondContact O-CD1 3.39Å |
| 117 | R | 93.5 | Very high | 92.4 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 177 | -171.8 | -165.4 | -47.6 | 160.9 | 5.4 | 112.6 | L113 R114 S120 R121 V159 L162 | L113-R117 WeakPolarHBondContact O-CB 3.46Å; L113-R117 PolarHBondContact O-N 3.41Å; R114-R117 WeakPolarHBondContact O-CB 3.31Å; R114-R117 PolarHBondContact O-N 3.33Å; R114-R117 VanDerWaalsContact O-N 3.15Å; R117-S120 WeakPolarHBondContact O-CB 3.05Å; R117-S120 PolarHBondContact O-N 2.87Å; R117-R121 PolarHBondContact O-N 3.25Å; R117-V159 HydrophobicContact CG-CG1 4.01Å; R117-L162 HydrophobicContact CB-CB 3.86Å; R117-L162 HydrophobicContact CG-CB 4.3Å; R117-L162 VanDerWaalsContact CZ-O 3.26Å; R117-L162 PolarHBondContact NE-O 3.3Å; R117-L162 PolarHBondContact NH2-O 2.94Å |
| 118 | D | 91.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.4 | -39.5 | -179.1 | -67.3 | -32 | 0 | 0 | 0 | 111.2 | R114 G116 R121 S122 | R114-D118 PolarHBondContact O-N 3.3Å; G116-D118 VanDerWaalsContact C-N 3.33Å; G116-D118 PolarHBondContact O-N 3.16Å; D118-R121 WeakPolarHBondContact O-CB 3.43Å; D118-R121 PolarHBondContact O-N 3.38Å; D118-R121 IonicContact OD1-CZ 2.74Å; D118-R121 VanDerWaalsContact OD1-CZ 3.25Å; D118-R121 IonicContact OD1-NH1 2.66Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 3.77Å; D118-R121 PolarHBondContact OD1-NH2 2.91Å; D118-S122 PolarHBondContact O-N 3.06Å; D118-S122 VanDerWaalsContact O-N 3.07Å; D118-S122 PolarHBondContact O-OG 3.47Å |
| 119 | A | 92.5 | Very high | 92.1 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E115 G116 R121 S122 L123 L429 | E115-A119 WeakPolarHBondContact O-CB 3.42Å; E115-A119 PolarHBondContact O-N 3.44Å; G116-A119 PolarHBondContact O-N 3.13Å; A119-R121 VanDerWaalsContact C-N 3.3Å; A119-R121 PolarHBondContact O-N 2.67Å; A119-S122 PolarHBondContact O-N 3.44Å; A119-L123 PolarHBondContact O-N 3.35Å; A119-L429 HydrophobicContact CB-CD1 3.95Å |
| 120 | S | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 171.1 | -59 | 0 | 0 | 0 | 0 | 112.1 | G116 R117 L123 Y124 L158 L162 L429 | G116-S120 WeakPolarHBondContact O-CB 3.42Å; G116-S120 PolarHBondContact O-N 2.91Å; G116-S120 PolarHBondContact O-OG 2.84Å; R117-S120 WeakPolarHBondContact O-CB 3.05Å; R117-S120 PolarHBondContact O-N 2.87Å; S120-L123 PolarHBondContact O-N 3.42Å; S120-Y124 WeakPolarHBondContact O-CB 3.29Å; S120-Y124 PolarHBondContact O-N 2.84Å; S120-L158 WeakPolarHBondContact OG-CD2 3.42Å; S120-L158 WeakPolarHBondContact OG-CG 3.42Å; S120-L162 WeakPolarHBondContact OG-CD1 3.33Å; S120-L429 WeakPolarHBondContact OG-CD2 3.46Å |
| 121 | R | 93.3 | Very high | 91 | Very high | 94 Ų | 94 | 53.5 Ų | 53.5 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 175.7 | -162.2 | -169.6 | -57.8 | 97.2 | 7.6 | 111.1 | R117 D118 A119 L123 Y124 E125 V159 | R117-R121 PolarHBondContact O-N 3.25Å; D118-R121 WeakPolarHBondContact O-CB 3.43Å; D118-R121 PolarHBondContact O-N 3.38Å; D118-R121 IonicContact OD1-CZ 2.74Å; D118-R121 VanDerWaalsContact OD1-CZ 3.25Å; D118-R121 IonicContact OD1-NH1 2.66Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 3.77Å; D118-R121 PolarHBondContact OD1-NH2 2.91Å; A119-R121 VanDerWaalsContact C-N 3.3Å; A119-R121 PolarHBondContact O-N 2.67Å; R121-L123 VanDerWaalsContact C-N 3.3Å; R121-L123 PolarHBondContact O-N 2.84Å; R121-Y124 WeakPolarHBondContact O-CB 3.4Å; R121-Y124 PolarHBondContact O-N 2.91Å; R121-Y124 VanDerWaalsContact O-N 3.15Å; R121-E125 WeakPolarHBondContact CD-OE1 3.21Å; R121-E125 WeakPolarHBondContact CG-OE1 3.47Å; R121-E125 WeakPolarHBondContact O-CB 3.34Å; R121-E125 VanDerWaalsContact O-CG 3.29Å; R121-E125 WeakPolarHBondContact O-CG 3.46Å; R121-E125 PolarHBondContact O-N 2.76Å; R121-V159 HydrophobicContact CB-CG2 4.15Å |
| 122 | S | 93.3 | Very high | 89.8 | Confident | 63 Ų | 63 | 52.1 Ų | 52.1 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.1 | -33.1 | 175 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | D118 A119 H126 | D118-S122 PolarHBondContact O-N 3.06Å; D118-S122 VanDerWaalsContact O-N 3.07Å; D118-S122 PolarHBondContact O-OG 3.47Å; A119-S122 PolarHBondContact O-N 3.44Å; S122-H126 VanDerWaalsContact O-CB 3.3Å; S122-H126 WeakPolarHBondContact O-CB 3.45Å; S122-H126 PolarHBondContact O-N 2.68Å |
| 123 | L | 92.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 171.2 | 177 | 56.6 | 0 | 0 | 0 | 112 | A119 S120 R121 H126 L127 L394 L398 L425 A426 L429 | A119-L123 PolarHBondContact O-N 3.35Å; S120-L123 PolarHBondContact O-N 3.42Å; R121-L123 VanDerWaalsContact C-N 3.3Å; R121-L123 PolarHBondContact O-N 2.84Å; L123-H126 PolarHBondContact O-N 3.41Å; L123-L127 HydrophobicContact CD1-CD1 4.06Å; L123-L127 HydrophobicContact CD1-CG 4.08Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.49Å; L123-L394 HydrophobicContact CD2-CD2 3.56Å; L123-L394 HydrophobicContact CD2-CG 4.36Å; L123-L394 HydrophobicContact CG-CD2 4.36Å; L123-L398 HydrophobicContact CD1-CD1 4.4Å; L123-L425 HydrophobicContact CD1-CB 3.98Å; L123-L425 HydrophobicContact CD1-CD1 4.42Å; L123-A426 HydrophobicContact CD2-CB 3.89Å; L123-L429 HydrophobicContact CD2-CD2 4.1Å |
| 124 | Y | 92.8 | Very high | 86.5 | Confident | 53 Ų | 53 | 62 Ų | 62 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 172.8 | 169.2 | -91.5 | 0 | 0 | 0 | 111.7 | S120 R121 H126 L127 Q128 C152 A155 Q156 | S120-Y124 WeakPolarHBondContact O-CB 3.29Å; S120-Y124 PolarHBondContact O-N 2.84Å; R121-Y124 WeakPolarHBondContact O-CB 3.4Å; R121-Y124 PolarHBondContact O-N 2.91Å; R121-Y124 VanDerWaalsContact O-N 3.15Å; Y124-H126 VanDerWaalsContact C-N 3.32Å; Y124-H126 PolarHBondContact O-N 3Å; Y124-L127 PolarHBondContact O-N 2.99Å; Y124-Q128 VanDerWaalsContact O-CB 3.31Å; Y124-Q128 WeakPolarHBondContact O-CB 3.31Å; Y124-Q128 PolarHBondContact O-N 3.05Å; Y124-Q128 PolarHBondContact OH-OE1 3.26Å; Y124-Q128 VanDerWaalsContact OH-OE1 3.11Å; Y124-C152 HydrophobicContact CD2-CB 4.37Å; Y124-C152 WeakPolarHBondContact CD2-O 3.26Å; Y124-C152 HydrophobicContact CE2-CB 4.17Å; Y124-A155 HydrophobicContact CD2-CB 4.37Å; Y124-Q156 HydrophobicContact CD2-CB 3.8Å; Y124-Q156 HydrophobicContact CE2-CB 3.89Å; Y124-Q156 HydrophobicContact CE2-CG 4.33Å |
| 125 | E | 92.2 | Very high | 84.5 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 176.4 | -71.5 | 160.2 | -172.9 | 0 | 0 | 111.5 | R121 Q128 A129 | R121-E125 WeakPolarHBondContact CD-OE1 3.21Å; R121-E125 WeakPolarHBondContact CG-OE1 3.47Å; R121-E125 WeakPolarHBondContact O-CB 3.34Å; R121-E125 VanDerWaalsContact O-CG 3.29Å; R121-E125 WeakPolarHBondContact O-CG 3.46Å; R121-E125 PolarHBondContact O-N 2.76Å; E125-Q128 PolarHBondContact O-N 3.45Å; E125-A129 PolarHBondContact O-N 3.22Å |
| 126 | H | 91.8 | Very high | 82.8 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 175.8 | -174.8 | 87.5 | 0 | 0 | 0 | 112.5 | S122 L123 Y124 Q128 A129 L130 Q418 L425 | S122-H126 VanDerWaalsContact O-CB 3.3Å; S122-H126 WeakPolarHBondContact O-CB 3.45Å; S122-H126 PolarHBondContact O-N 2.68Å; L123-H126 PolarHBondContact O-N 3.41Å; Y124-H126 VanDerWaalsContact C-N 3.32Å; Y124-H126 PolarHBondContact O-N 3Å; H126-Q128 VanDerWaalsContact C-N 3.33Å; H126-Q128 PolarHBondContact O-N 3.44Å; H126-A129 PolarHBondContact O-N 3.35Å; H126-L130 PolarHBondContact O-N 3.27Å; H126-Q418 PolarHBondContact CE1-OE1 2.85Å; H126-Q418 PolarHBondContact NE2-O 3.36Å; H126-L425 HydrophobicContact CB-CD1 4.22Å |
| 127 | L | 89.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 177.9 | -63.4 | 172.8 | 0 | 0 | 0 | 111.9 | L123 Y124 L130 L131 L148 C152 A155 L394 L398 | L123-L127 HydrophobicContact CD1-CD1 4.06Å; L123-L127 HydrophobicContact CD1-CG 4.08Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.49Å; Y124-L127 PolarHBondContact O-N 2.99Å; L127-L130 PolarHBondContact O-N 3.28Å; L127-L131 PolarHBondContact O-N 2.86Å; L127-L148 HydrophobicContact CB-CD1 4.3Å; L127-L148 HydrophobicContact CD2-CD1 3.89Å; L127-C152 WeakPolarHBondContact CB-SG 3.34Å; L127-A155 HydrophobicContact CD1-CB 4.3Å; L127-L394 HydrophobicContact CD1-CD1 4.4Å; L127-L398 HydrophobicContact CD1-CD1 4.3Å; L127-L398 HydrophobicContact CD1-CD2 4.19Å; L127-L398 HydrophobicContact CD2-CD1 4.25Å; L127-L398 HydrophobicContact CD2-CD2 3.62Å |
| 128 | Q | 89.5 | Confident | 79.1 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 175 | -171.8 | 177.6 | 4.3 | 0 | 0 | 112 | Y124 E125 H126 L130 L131 | Y124-Q128 VanDerWaalsContact O-CB 3.31Å; Y124-Q128 WeakPolarHBondContact O-CB 3.31Å; Y124-Q128 PolarHBondContact O-N 3.05Å; Y124-Q128 PolarHBondContact OH-OE1 3.26Å; Y124-Q128 VanDerWaalsContact OH-OE1 3.11Å; E125-Q128 PolarHBondContact O-N 3.45Å; H126-Q128 VanDerWaalsContact C-N 3.33Å; H126-Q128 PolarHBondContact O-N 3.44Å; Q128-L130 PolarHBondContact O-N 3.11Å; Q128-L131 WeakPolarHBondContact O-CB 3.36Å; Q128-L131 PolarHBondContact O-N 2.92Å |
| 129 | A | 87.8 | Confident | 77.5 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.1 | -24.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E125 H126 | E125-A129 PolarHBondContact O-N 3.22Å; H126-A129 PolarHBondContact O-N 3.35Å |
| 130 | L | 83.4 | Confident | 75.8 | Confident | 29 Ų | 29 | 79.7 Ų | 79.7 | 15% | 0.152 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.1 | 175.5 | -59.9 | 173.8 | 0 | 0 | 0 | 113.3 | H126 L127 Q128 T132 L148 Q418 | H126-L130 PolarHBondContact O-N 3.27Å; L127-L130 PolarHBondContact O-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.11Å; L130-T132 PolarHBondContact O-N 3.17Å; L130-T132 VanDerWaalsContact O-N 3.09Å; L130-L148 HydrophobicContact CB-CD1 4.41Å; L130-L148 HydrophobicContact CB-CD2 3.64Å; L130-L148 WeakPolarHBondContact O-CD2 3.4Å; L130-Q418 HydrophobicContact CD1-CB 4Å; L130-Q418 HydrophobicContact CD2-CB 3.54Å; L130-Q418 HydrophobicContact CD2-CG 4.02Å; L130-Q418 HydrophobicContact CG-CB 4.38Å |
| 131 | L | 79.5 | Confident | 74.4 | Confident | 50 Ų | 50 | 81.2 Ų | 81.2 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | trans | -83.7 | 58 | 171.1 | -70.2 | 171.3 | 0 | 0 | 0 | 111.2 | L127 Q128 Q145 L148 A149 C152 | L127-L131 PolarHBondContact O-N 2.86Å; Q128-L131 WeakPolarHBondContact O-CB 3.36Å; Q128-L131 PolarHBondContact O-N 2.92Å; L131-Q145 HydrophobicContact CD2-CG 3.99Å; L131-L148 HydrophobicContact CD2-CB 4.05Å; L131-L148 HydrophobicContact CD2-CD2 3.75Å; L131-L148 HydrophobicContact CD2-CG 3.78Å; L131-L148 HydrophobicContact CG-CD2 3.97Å; L131-L148 HydrophobicContact CG-CG 3.99Å; L131-A149 HydrophobicContact CD1-CB 4.29Å; L131-A149 HydrophobicContact CD2-CB 4.26Å; L131-C152 HydrophobicContact CD1-CB 4.32Å; L131-C152 VanDerWaalsContact CD1-SG 3.53Å | ||
| 132 | T | 67.4 | Low | 73.2 | Confident | 83 Ų | 83 | 82 Ų | 82 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | trans | -65.3 | 139.8 | 177.1 | -29.7 | 0 | 0 | 0 | 0 | 110.9 | L130 D134 | L130-T132 PolarHBondContact O-N 3.17Å; L130-T132 VanDerWaalsContact O-N 3.09Å; T132-D134 VanDerWaalsContact C-N 3.27Å; T132-D134 PolarHBondContact O-N 2.75Å | ||
| 133 | P | 56.5 | Low | 72.5 | Confident | 122 Ų | 122 | 84.4 Ų | 84.4 | 79% | 0.792 | 46% | 0.458 | S | S | * | . | trans | -74.5 | 1.7 | -176.4 | -20.9 | 34.5 | 0 | 0 | 0 | 117.2 | E135 | P133-E135 PolarHBondContact O-N 3.38Š| ||
| 134 | D | 57.6 | Low | 71.8 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 69% | 0.69 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -61.7 | 133.3 | -176 | -86.8 | -11.9 | 0 | 0 | 0 | 111.7 | T132 P136 | T132-D134 VanDerWaalsContact C-N 3.27Å; T132-D134 PolarHBondContact O-N 2.75Å; D134-P136 WeakPolarHBondContact O-CD 3.42Å |
| 135 | E | 50.2 | Low | 71.2 | Confident | 187 Ų | 187 | 88.1 Ų | 88.1 | 87% | 0.874 | 48% | 0.479 | S | S | * | . | trans | -58.7 | 118.5 | -171.9 | -67.9 | -173 | 119.2 | 0 | 0 | 112.1 | P133 D137 | P133-E135 PolarHBondContact O-N 3.38Å; E135-D137 PolarHBondContact O-N 3.07Å | ||
| 136 | P | 55.4 | Low | 70.8 | Confident | 50 Ų | 50 | 89.1 Ų | 89.1 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | trans | -74 | 94.3 | 179.2 | 29.3 | -34.4 | 0 | 0 | 0 | 110.2 | D134 K138 Q142 | D134-P136 WeakPolarHBondContact O-CD 3.42Å; P136-K138 PolarHBondContact O-N 3.18Å; P136-Q142 HydrophobicContact CB-CG 4.19Å; P136-Q142 HydrophobicContact CG-CG 3.71Å | ||
| 137 | D | 50.8 | Low | 70.6 | Confident | 167 Ų | 167 | 90.7 Ų | 90.7 | 89% | 0.893 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -54.2 | 2.1 | -179.2 | -133.1 | 4.4 | 0 | 0 | 0 | 115.6 | E135 | E135-D137 PolarHBondContact O-N 3.07Š|
| 138 | K | 58.8 | Low | 70.5 | Confident | 145 Ų | 145 | 91.2 Ų | 91.2 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -152 | 144 | -178.9 | -60 | -176.3 | -177.6 | -178.6 | 0 | 111.2 | P136 Q140 G141 | P136-K138 PolarHBondContact O-N 3.18Å; K138-Q140 PolarHBondContact O-N 3.5Å; K138-Q140 VanDerWaalsContact O-N 3.13Å; K138-G141 PolarHBondContact O-N 3.25Å |
| 139 | S | 59 | Low | 70.5 | Confident | 96 Ų | 96 | 87.9 Ų | 87.9 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.2 | -28 | 174.7 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | G141 Q142 D143 | S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.45Å; S139-Q142 PolarHBondContact O-N 3.37Å; S139-D143 PolarHBondContact O-N 3.06Å |
| 140 | Q | 56.3 | Low | 70.6 | Confident | 100 Ų | 100 | 87.4 Ų | 87.4 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67 | -24.9 | 174.7 | -169.5 | -179.6 | -1.6 | 0 | 0 | 113 | K138 Y405 | K138-Q140 PolarHBondContact O-N 3.5Å; K138-Q140 VanDerWaalsContact O-N 3.13Å; Q140-Y405 VanDerWaalsContact NE2-CE1 3.3Å; Q140-Y405 VanDerWaalsContact NE2-CZ 3.26Å |
| 141 | G | 64.5 | Low | 71 | Confident | 31 Ų | 31 | 86 Ų | 86 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74 | -34.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K138 S139 Q145 | K138-G141 PolarHBondContact O-N 3.25Å; S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.45Å; G141-Q145 VanDerWaalsContact O-CB 3.3Å; G141-Q145 WeakPolarHBondContact O-CB 3.13Å; G141-Q145 PolarHBondContact O-N 3.25Å |
| 142 | Q | 68.6 | Low | 71.5 | Confident | 110 Ų | 110 | 84 Ų | 84 | 51% | 0.514 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 179.5 | -60.7 | -179.9 | -66.5 | 0 | 0 | 111.8 | P136 S139 Q145 E146 | P136-Q142 HydrophobicContact CB-CG 4.19Å; P136-Q142 HydrophobicContact CG-CG 3.71Å; S139-Q142 PolarHBondContact O-N 3.37Å; Q142-Q145 PolarHBondContact O-N 3.02Å; Q142-E146 PolarHBondContact O-N 3.25Å |
| 143 | D | 76.9 | Confident | 72.7 | Confident | 115 Ų | 115 | 86 Ų | 86 | 62% | 0.615 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 177.8 | -157.2 | 57.6 | 0 | 0 | 0 | 111.5 | S139 E146 Q147 | S139-D143 PolarHBondContact O-N 3.06Å; D143-E146 PolarHBondContact O-N 3.01Å; D143-Q147 WeakPolarHBondContact O-CG 3.29Å; D143-Q147 PolarHBondContact O-N 2.91Å; D143-Q147 VanDerWaalsContact O-N 3.09Å |
| 144 | L | 78.2 | Confident | 74.4 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 174.5 | -175.7 | 147.7 | 0 | 0 | 0 | 112.3 | Q147 L148 L415 | L144-Q147 PolarHBondContact O-N 3.23Å; L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.3Å; L144-L148 PolarHBondContact O-N 3.41Å; L144-L415 HydrophobicContact CD1-CD2 4.49Å; L144-L415 HydrophobicContact CD2-CD1 4.48Å; L144-L415 HydrophobicContact CD2-CD2 4.32Å |
| 145 | Q | 80.4 | Confident | 76.1 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 177 | -170.6 | 177.5 | 27.3 | 0 | 0 | 112 | L131 G141 Q142 L148 A149 | L131-Q145 HydrophobicContact CD2-CG 3.99Å; G141-Q145 VanDerWaalsContact O-CB 3.3Å; G141-Q145 WeakPolarHBondContact O-CB 3.13Å; G141-Q145 PolarHBondContact O-N 3.25Å; Q142-Q145 PolarHBondContact O-N 3.02Å; Q145-L148 PolarHBondContact O-N 3.48Å; Q145-A149 WeakPolarHBondContact O-CB 3.26Å; Q145-A149 PolarHBondContact O-N 3.01Å |
| 146 | E | 85.3 | Confident | 78.1 | Confident | 124 Ų | 124 | 72.7 Ų | 72.7 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.6 | -41.6 | 174.9 | -179.6 | 162.8 | -165.8 | 0 | 0 | 111.6 | Q142 D143 A149 E150 | Q142-E146 PolarHBondContact O-N 3.25Å; D143-E146 PolarHBondContact O-N 3.01Å; E146-A149 PolarHBondContact O-N 3.11Å; E146-E150 PolarHBondContact O-N 3.42Å |
| 147 | Q | 86.8 | Confident | 79.9 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69 | -33.7 | 174.6 | -70.5 | -69.1 | -80.7 | 0 | 0 | 113.5 | D143 L144 E150 G151 H397 L401 | D143-Q147 WeakPolarHBondContact O-CG 3.29Å; D143-Q147 PolarHBondContact O-N 2.91Å; D143-Q147 VanDerWaalsContact O-N 3.09Å; L144-Q147 PolarHBondContact O-N 3.23Å; Q147-E150 PolarHBondContact NE2-OE2 2.85Å; Q147-E150 WeakPolarHBondContact O-CB 3.33Å; Q147-E150 PolarHBondContact O-N 3.25Å; Q147-G151 PolarHBondContact O-N 2.94Å; Q147-H397 PolarHBondContact O-NE2 3.4Å; Q147-H397 PolarHBondContact OE1-CE1 3.48Å; Q147-H397 VanDerWaalsContact OE1-CE1 3.28Å; Q147-L401 HydrophobicContact CB-CD1 4.05Å; Q147-L401 HydrophobicContact CB-CD2 3.48Å; Q147-L401 VanDerWaalsContact CB-CD2 3.48Å; Q147-L401 HydrophobicContact CB-CG 4.35Å; Q147-L401 HydrophobicContact CG-CD2 4.05Å |
| 148 | L | 87.2 | Confident | 81.8 | Confident | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 171.8 | 179.5 | 61.1 | 0 | 0 | 0 | 111.2 | L127 L130 L131 L144 Q145 E150 G151 C152 | L127-L148 HydrophobicContact CB-CD1 4.3Å; L127-L148 HydrophobicContact CD2-CD1 3.89Å; L130-L148 HydrophobicContact CB-CD1 4.41Å; L130-L148 HydrophobicContact CB-CD2 3.64Å; L130-L148 WeakPolarHBondContact O-CD2 3.4Å; L131-L148 HydrophobicContact CD2-CB 4.05Å; L131-L148 HydrophobicContact CD2-CD2 3.75Å; L131-L148 HydrophobicContact CD2-CG 3.78Å; L131-L148 HydrophobicContact CG-CD2 3.97Å; L131-L148 HydrophobicContact CG-CG 3.99Å; L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.3Å; L144-L148 PolarHBondContact O-N 3.41Å; Q145-L148 PolarHBondContact O-N 3.48Å; L148-E150 VanDerWaalsContact C-N 3.27Å; L148-E150 PolarHBondContact O-N 2.85Å; L148-G151 WeakPolarHBondContact O-CA 3.47Å; L148-G151 PolarHBondContact O-N 3.01Å; L148-G151 VanDerWaalsContact O-N 3.08Å; L148-C152 PolarHBondContact O-N 3.19Å; L148-C152 PolarHBondContact O-SG 3.39Å |
| 149 | A | 88.8 | Confident | 83.4 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -33.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L131 Q145 E146 C152 R153 | L131-A149 HydrophobicContact CD1-CB 4.29Å; L131-A149 HydrophobicContact CD2-CB 4.26Å; Q145-A149 WeakPolarHBondContact O-CB 3.26Å; Q145-A149 PolarHBondContact O-N 3.01Å; E146-A149 PolarHBondContact O-N 3.11Å; A149-C152 WeakPolarHBondContact O-CB 3.41Å; A149-C152 PolarHBondContact O-N 2.96Å; A149-R153 WeakPolarHBondContact O-CG 3.5Å; A149-R153 PolarHBondContact O-N 3.41Å |
| 150 | E | 90.5 | Very high | 84.9 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 168.8 | -174.1 | 143.8 | -107.1 | 0 | 0 | 112.5 | E146 Q147 L148 C152 R153 L154 H397 | E146-E150 PolarHBondContact O-N 3.42Å; Q147-E150 PolarHBondContact NE2-OE2 2.85Å; Q147-E150 WeakPolarHBondContact O-CB 3.33Å; Q147-E150 PolarHBondContact O-N 3.25Å; L148-E150 VanDerWaalsContact C-N 3.27Å; L148-E150 PolarHBondContact O-N 2.85Å; E150-C152 VanDerWaalsContact C-N 3.31Å; E150-C152 PolarHBondContact O-N 3.49Å; E150-R153 PolarHBondContact O-N 3.25Å; E150-R153 IonicContact OE1-CZ 3.63Å; E150-R153 IonicContact OE1-NH2 3.6Å; E150-R153 PolarHBondContact OE1-NH2 2.88Å; E150-L154 HydrophobicContact CG-CD1 4.33Å; E150-L154 WeakPolarHBondContact O-CG 3.47Å; E150-L154 PolarHBondContact O-N 3.23Å; E150-H397 IonicContact OE2-CE1 2.73Å |
| 151 | G | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q147 L148 L154 A155 | Q147-G151 PolarHBondContact O-N 2.94Å; L148-G151 WeakPolarHBondContact O-CA 3.47Å; L148-G151 PolarHBondContact O-N 3.01Å; L148-G151 VanDerWaalsContact O-N 3.08Å; G151-L154 PolarHBondContact O-N 2.9Å; G151-A155 WeakPolarHBondContact O-CB 3.36Å; G151-A155 PolarHBondContact O-N 2.88Å |
| 152 | C | 90.9 | Very high | 87.7 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 173.5 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | Y124 L127 L131 L148 A149 E150 L154 A155 Q156 | Y124-C152 HydrophobicContact CD2-CB 4.37Å; Y124-C152 WeakPolarHBondContact CD2-O 3.26Å; Y124-C152 HydrophobicContact CE2-CB 4.17Å; L127-C152 WeakPolarHBondContact CB-SG 3.34Å; L131-C152 HydrophobicContact CD1-CB 4.32Å; L131-C152 VanDerWaalsContact CD1-SG 3.53Å; L148-C152 PolarHBondContact O-N 3.19Å; L148-C152 PolarHBondContact O-SG 3.39Å; A149-C152 WeakPolarHBondContact O-CB 3.41Å; A149-C152 PolarHBondContact O-N 2.96Å; E150-C152 VanDerWaalsContact C-N 3.31Å; E150-C152 PolarHBondContact O-N 3.49Å; C152-L154 VanDerWaalsContact C-N 3.31Å; C152-L154 PolarHBondContact O-N 3.47Å; C152-A155 PolarHBondContact O-N 3.36Å; C152-Q156 WeakPolarHBondContact O-CB 3.35Å; C152-Q156 PolarHBondContact O-N 3.09Å |
| 153 | R | 92.3 | Very high | 88.6 | Confident | 125 Ų | 125 | 56.2 Ų | 56.2 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 175.3 | -69.5 | -173.5 | -59.1 | -109.9 | 10.5 | 111.4 | A149 E150 Q156 H157 | A149-R153 WeakPolarHBondContact O-CG 3.5Å; A149-R153 PolarHBondContact O-N 3.41Å; E150-R153 PolarHBondContact O-N 3.25Å; E150-R153 IonicContact OE1-CZ 3.63Å; E150-R153 IonicContact OE1-NH2 3.6Å; E150-R153 PolarHBondContact OE1-NH2 2.88Å; R153-Q156 PolarHBondContact O-N 2.67Å; R153-H157 VanDerWaalsContact O-CB 3.31Å; R153-H157 WeakPolarHBondContact O-CB 3.38Å; R153-H157 PolarHBondContact O-N 2.96Å |
| 154 | L | 93 | Very high | 88.4 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.335 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 178 | -71.7 | 171 | 0 | 0 | 0 | 112.2 | E150 G151 C152 L158 L394 H397 | E150-L154 HydrophobicContact CG-CD1 4.33Å; E150-L154 WeakPolarHBondContact O-CG 3.47Å; E150-L154 PolarHBondContact O-N 3.23Å; G151-L154 PolarHBondContact O-N 2.9Å; C152-L154 VanDerWaalsContact C-N 3.31Å; C152-L154 PolarHBondContact O-N 3.47Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 PolarHBondContact O-N 3.06Å; L154-L394 HydrophobicContact CB-CD1 3.96Å; L154-L394 HydrophobicContact CD1-CD1 4.38Å; L154-H397 HydrophobicContact CD1-CB 4.34Å |
| 155 | A | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y124 L127 G151 C152 L158 V159 L394 | Y124-A155 HydrophobicContact CD2-CB 4.37Å; L127-A155 HydrophobicContact CD1-CB 4.3Å; G151-A155 WeakPolarHBondContact O-CB 3.36Å; G151-A155 PolarHBondContact O-N 2.88Å; C152-A155 PolarHBondContact O-N 3.36Å; A155-L158 WeakPolarHBondContact O-CB 3.31Å; A155-L158 PolarHBondContact O-N 3.03Å; A155-V159 PolarHBondContact O-N 3.47Å; A155-L394 HydrophobicContact CB-CD2 3.9Å |
| 156 | Q | 92.1 | Very high | 85.8 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 175.6 | -169.1 | 179.6 | 20.2 | 0 | 0 | 111.8 | Y124 C152 R153 L158 V159 Q160 | Y124-Q156 HydrophobicContact CD2-CB 3.8Å; Y124-Q156 HydrophobicContact CE2-CB 3.89Å; Y124-Q156 HydrophobicContact CE2-CG 4.33Å; C152-Q156 WeakPolarHBondContact O-CB 3.35Å; C152-Q156 PolarHBondContact O-N 3.09Å; R153-Q156 PolarHBondContact O-N 2.67Å; Q156-L158 PolarHBondContact O-N 3.38Å; Q156-V159 WeakPolarHBondContact O-CB 3.37Å; Q156-V159 PolarHBondContact O-N 3.47Å; Q156-V159 VanDerWaalsContact O-N 3.13Å; Q156-Q160 PolarHBondContact O-N 2.74Å |
| 157 | H | 92.3 | Very high | 83.5 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.44 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.2 | -34.1 | 173.7 | 175.8 | -105.9 | 0 | 0 | 0 | 111.8 | R153 Q160 K161 | R153-H157 VanDerWaalsContact O-CB 3.31Å; R153-H157 WeakPolarHBondContact O-CB 3.38Å; R153-H157 PolarHBondContact O-N 2.96Å; H157-Q160 WeakPolarHBondContact O-CB 3.26Å; H157-Q160 PolarHBondContact O-N 3.31Å; H157-K161 WeakPolarHBondContact O-CB 3.49Å; H157-K161 PolarHBondContact O-N 3.21Å |
| 158 | L | 92.4 | Very high | 81.1 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69 | -36.3 | 174.5 | -177.3 | 60.9 | 0 | 0 | 0 | 113 | S120 L154 A155 Q156 Q160 K161 L162 G387 A390 S391 L394 L429 | S120-L158 WeakPolarHBondContact OG-CD2 3.42Å; S120-L158 WeakPolarHBondContact OG-CG 3.42Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 PolarHBondContact O-N 3.06Å; A155-L158 WeakPolarHBondContact O-CB 3.31Å; A155-L158 PolarHBondContact O-N 3.03Å; Q156-L158 PolarHBondContact O-N 3.38Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; L158-K161 PolarHBondContact O-N 3.02Å; L158-L162 HydrophobicContact CD1-CD1 3.87Å; L158-L162 HydrophobicContact CD1-CG 4.1Å; L158-L162 HydrophobicContact CG-CD1 4.02Å; L158-L162 WeakPolarHBondContact O-CB 3.42Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.5Å; L158-G387 WeakPolarHBondContact CD1-O 3.42Å; L158-A390 HydrophobicContact CD1-CB 3.98Å; L158-S391 WeakPolarHBondContact CD2-OG 3.46Å; L158-L394 HydrophobicContact CD2-CD2 4.44Å; L158-L429 HydrophobicContact CD2-CD2 3.6Å |
| 159 | V | 92.2 | Very high | 79.1 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 170.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | R117 R121 A155 Q156 S163 | R117-V159 HydrophobicContact CG-CG1 4.01Å; R121-V159 HydrophobicContact CB-CG2 4.15Å; A155-V159 PolarHBondContact O-N 3.47Å; Q156-V159 WeakPolarHBondContact O-CB 3.37Å; Q156-V159 PolarHBondContact O-N 3.47Å; Q156-V159 VanDerWaalsContact O-N 3.13Å; V159-S163 PolarHBondContact O-N 2.9Å; V159-S163 PolarHBondContact O-OG 3.34Å |
| 160 | Q | 89.9 | Confident | 76.7 | Confident | 122 Ų | 122 | 80.2 Ų | 80.2 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.6 | -47.9 | 174.6 | -68.2 | 170.4 | -23.6 | 0 | 0 | 111.1 | Q156 H157 L158 L162 S163 | Q156-Q160 PolarHBondContact O-N 2.74Å; H157-Q160 WeakPolarHBondContact O-CB 3.26Å; H157-Q160 PolarHBondContact O-N 3.31Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.44Å; Q160-S163 WeakPolarHBondContact O-CB 3.38Å; Q160-S163 PolarHBondContact O-N 3.41Å |
| 161 | K | 90 | Very high | 74.3 | Confident | 70 Ų | 70 | 84.8 Ų | 84.8 | 30% | 0.304 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.5 | -26.7 | -177.2 | -163.4 | 161.3 | -165.5 | 178.8 | 0 | 114.2 | H157 L158 S163 E386 | H157-K161 WeakPolarHBondContact O-CB 3.49Å; H157-K161 PolarHBondContact O-N 3.21Å; L158-K161 PolarHBondContact O-N 3.02Å; K161-S163 VanDerWaalsContact C-N 3.35Å; K161-E386 HydrophobicContact CD-CB 4.49Å; K161-E386 WeakPolarHBondContact CE-OE2 3.38Å; K161-E386 IonicContact NZ-OE2 2.85Å; K161-E386 PolarHBondContact NZ-OE2 3.09Å |
| 162 | L | 89.8 | Confident | 72.2 | Confident | 1 Ų | 1 | 93.4 Ų | 93.4 | 1% | 0.005 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 2.9 | 171.7 | -65.4 | 172 | 0 | 0 | 0 | 113.3 | L113 R117 S120 L158 Q160 L433 | L113-L162 HydrophobicContact CD2-CD2 3.68Å; R117-L162 HydrophobicContact CB-CB 3.86Å; R117-L162 HydrophobicContact CG-CB 4.3Å; R117-L162 VanDerWaalsContact CZ-O 3.26Å; R117-L162 PolarHBondContact NE-O 3.3Å; R117-L162 PolarHBondContact NH2-O 2.94Å; S120-L162 WeakPolarHBondContact OG-CD1 3.33Å; L158-L162 HydrophobicContact CD1-CD1 3.87Å; L158-L162 HydrophobicContact CD1-CG 4.1Å; L158-L162 HydrophobicContact CG-CD1 4.02Å; L158-L162 WeakPolarHBondContact O-CB 3.42Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.5Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.44Å; L162-L433 HydrophobicContact CD1-CD1 4.16Å; L162-L433 HydrophobicContact CD1-CD2 4.34Å; L162-L433 HydrophobicContact CD2-CD1 4.5Å; L162-L433 HydrophobicContact CD2-CD2 3.89Å |
| 163 | S | 87.7 | Confident | 69.4 | Low | 36 Ų | 36 | 100.5 Ų | 100.5 | 25% | 0.252 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -78.6 | 160.1 | 172.9 | -66.5 | 0 | 0 | 0 | 0 | 112 | V159 Q160 K161 | V159-S163 PolarHBondContact O-N 2.9Å; V159-S163 PolarHBondContact O-OG 3.34Å; Q160-S163 WeakPolarHBondContact O-CB 3.38Å; Q160-S163 PolarHBondContact O-N 3.41Å; K161-S163 VanDerWaalsContact C-N 3.35Å |
| 164 | P | 72 | Confident | 66.9 | Low | 87 Ų | 87 | 99.5 Ų | 99.5 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 142.8 | 167.7 | -7.7 | 26.6 | 0 | 0 | 0 | 107.2 | N166 | P164-N166 PolarHBondContact O-N 3.48Š|
| 165 | E | 61.8 | Low | 64.1 | Low | 120 Ų | 120 | 105.4 Ų | 105.4 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -74 | 120.4 | 156.7 | -87.2 | 148.4 | 168.2 | 0 | 0 | 105.2 | K383 | E165-K383 VanDerWaalsContact CG-NZ 3.32Å; E165-K383 VanDerWaalsContact N-NZ 3.19Å; E165-K383 IonicContact OE1-NZ 3.68Å; E165-K383 WeakPolarHBondContact OE2-CE 3.47Å; E165-K383 IonicContact OE2-NZ 2.76Å; E165-K383 PolarHBondContact OE2-NZ 3.29Å |
| 166 | N | 41.7 | Very low | 61.3 | Low | 145 Ų | 145 | 110.7 Ų | 110.7 | 78% | 0.775 | 57% | 0.568 | S | S | * | * | trans | -76.1 | 109.9 | 146.7 | -67.6 | -10.2 | 0 | 0 | 0 | 103.8 | P164 E168 | P164-N166 PolarHBondContact O-N 3.48Å; N166-E168 PolarHBondContact O-N 3.35Å | ||
| 167 | D | 38 | Very low | 58.7 | Low | 134 Ų | 134 | 114.7 Ų | 114.7 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | trans | -74.5 | 49.4 | 175.2 | -69.8 | -37.1 | 0 | 0 | 0 | 110.9 | ||||
| 168 | E | 36 | Very low | 56.4 | Low | 153 Ų | 153 | 119 Ų | 119 | 72% | 0.715 | 61% | 0.607 | S | S | * | * | trans | -129.2 | 110 | 169.2 | -68.6 | -170.2 | 169.9 | 0 | 0 | 107.8 | N166 E170 | N166-E168 PolarHBondContact O-N 3.35Å; E168-E170 PolarHBondContact O-N 2.76Å | ||
| 169 | D | 45.3 | Very low | 53.7 | Low | 170 Ų | 170 | 123 Ų | 123 | 91% | 0.909 | 64% | 0.641 | S | S | * | * | trans | -68.4 | 70.2 | 170.2 | -66.8 | -64.6 | 0 | 0 | 0 | 109.9 | D171 | D169-D171 PolarHBondContact O-N 2.97Å; D169-D171 VanDerWaalsContact O-N 3.12Å | ||
| 170 | E | 37.6 | Very low | 50.9 | Low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -74.1 | 93.6 | 166.6 | -74.6 | -93 | 111.3 | 0 | 0 | 108.4 | E168 E172 | E168-E170 PolarHBondContact O-N 2.76Å; E170-E172 PolarHBondContact O-N 2.99Å | ||
| 171 | D | 40.8 | Very low | 48.3 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | trans | -49.3 | 126.5 | 168 | -83.4 | -47.5 | 0 | 0 | 0 | 110.6 | D169 | D169-D171 PolarHBondContact O-N 2.97Å; D169-D171 VanDerWaalsContact O-N 3.12Å | ||
| 172 | E | 47 | Very low | 45.5 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | 11.7 | 98.8 | 175.6 | -69.3 | -171.8 | -164.8 | 0 | 0 | 117.9 | E170 | E170-E172 PolarHBondContact O-N 2.99Š| ||
| 173 | D | 33 | Very low | 42.8 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -127.3 | 107.3 | 144.5 | -138.3 | -16.7 | 0 | 0 | 0 | 111.2 | Q175 | D173-Q175 PolarHBondContact O-N 3.38Å; D173-Q175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | V | 38.9 | Very low | 40.1 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 62% | 0.624 | 78% | 0.784 | S | S | * | * | trans | -81.7 | 99.8 | -168.6 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | V176 | V174-V176 HydrophobicContact CB-CG2 4.39Å; V174-V176 HydrophobicContact CG1-CG2 3.61Å; V174-V176 PolarHBondContact O-N 3.06Å | ||
| 175 | Q | 34.6 | Very low | 38.1 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 82.8 | 163.5 | -69.3 | -165.3 | 6.6 | 0 | 0 | 110.4 | D173 E177 | D173-Q175 PolarHBondContact O-N 3.38Å; D173-Q175 VanDerWaalsContact O-N 3.16Å; Q175-E177 PolarHBondContact O-N 3.25Å; Q175-E177 VanDerWaalsContact O-N 3.09Å | ||
| 176 | V | 34.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 67% | 0.673 | 80% | 0.804 | S | S | * | * | trans | -69.4 | 97 | 164 | -174.1 | 0 | 0 | 0 | 0 | 107.7 | V174 E178 | V174-V176 HydrophobicContact CB-CG2 4.39Å; V174-V176 HydrophobicContact CG1-CG2 3.61Å; V174-V176 PolarHBondContact O-N 3.06Å; V176-E178 PolarHBondContact O-N 2.92Å; V176-E178 VanDerWaalsContact O-N 3.11Å | ||
| 177 | E | 37.9 | Very low | 36.1 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -59.2 | 111.9 | 159.5 | -92.8 | -69.9 | 145.5 | 0 | 0 | 108.2 | Q175 A179 | Q175-E177 PolarHBondContact O-N 3.25Å; Q175-E177 VanDerWaalsContact O-N 3.09Å; E177-A179 PolarHBondContact O-N 3.4Å; E177-A179 VanDerWaalsContact O-N 3.08Å | ||
| 178 | E | 43.2 | Very low | 35.9 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -79.9 | 92 | -166.2 | -173 | -179.2 | -171.3 | 0 | 0 | 111.5 | V176 | V176-E178 PolarHBondContact O-N 2.92Å; V176-E178 VanDerWaalsContact O-N 3.11Å | ||
| 179 | A | 34.6 | Very low | 35.7 | Very low | 87 Ų | 87 | 154.5 Ų | 154.5 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | -128.4 | 138.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | E177 | E177-A179 PolarHBondContact O-N 3.4Å; E177-A179 VanDerWaalsContact O-N 3.08Å | ||
| 180 | E | 33.3 | Very low | 35.2 | Very low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | 55.6 | 68.2 | 167.9 | -58 | -145 | 114.6 | 0 | 0 | 119.2 | V182 | E180-V182 PolarHBondContact O-N 3.06Š| ||
| 181 | K | 35.3 | Very low | 34.9 | Very low | 208 Ų | 208 | 154 Ų | 154 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -81.7 | 88.3 | 145.8 | -98.9 | -176.3 | 178.9 | 165.1 | 0 | 111.5 | ||||
| 182 | V | 32.9 | Very low | 34.5 | Very low | 125 Ų | 125 | 154.8 Ų | 154.8 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | trans | -140 | 84.2 | 155.1 | -169 | 0 | 0 | 0 | 0 | 111.4 | E180 | E180-V182 PolarHBondContact O-N 3.06Š| ||
| 183 | L | 32.9 | Very low | 33.7 | Very low | 180 Ų | 180 | 156.3 Ų | 156.3 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | trans | -129.5 | 90.4 | 158.3 | -99.6 | 171.9 | 0 | 0 | 0 | 108.9 | S185 | L183-S185 PolarHBondContact O-N 2.94Š| ||
| 184 | E | 29.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 153.4 Ų | 153.4 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -87.4 | 95.3 | -174 | -171.5 | 171 | -158.6 | 0 | 0 | 112.2 | ||||
| 185 | S | 31.1 | Very low | 33.2 | Very low | 96 Ų | 96 | 157.8 Ų | 157.8 | 67% | 0.671 | 83% | 0.833 | S | S | * | * | trans | 67.2 | 129.3 | 152.8 | 79.3 | 0 | 0 | 0 | 0 | 119.6 | L183 | L183-S185 PolarHBondContact O-N 2.94Š| ||
| 186 | S | 28.6 | Very low | 33 | Very low | 125 Ų | 125 | 157.4 Ų | 157.4 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | -160.7 | 106.3 | 128.4 | -87.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 187 | A | 33.3 | Very low | 32.7 | Very low | 93 Ų | 93 | 157.7 Ų | 157.7 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -91.5 | 160.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 188 | P | 32.5 | Very low | 32.2 | Very low | 128 Ų | 128 | 158.1 Ų | 158.1 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | -124.6 | 136.4 | 129.7 | 34.2 | -28.9 | 0 | 0 | 0 | 111.8 | |||||
| 189 | R | 32.9 | Very low | 31.9 | Very low | 239 Ų | 239 | 155.1 Ų | 155.1 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -85.1 | 159.2 | 164.7 | -94.6 | -172.8 | 171.4 | -168.5 | -2.6 | 110.8 | ||||
| 190 | E | 33.5 | Very low | 32.3 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -54 | 150.8 | 177.7 | -55.6 | 160.3 | 97.9 | 0 | 0 | 113.6 | ||||
| 191 | V | 31.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 155.5 Ų | 155.5 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -125.8 | 128.3 | 154.6 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 192 | Q | 32 | Very low | 32 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -79.3 | 151.4 | -170.1 | -59.9 | 164 | -12.9 | 0 | 0 | 112.9 | ||||
| 193 | K | 31.7 | Very low | 32.1 | Very low | 214 Ų | 214 | 151.8 Ų | 151.8 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -155.3 | 150.2 | 130.8 | -118.6 | 173.7 | -176.7 | -178.4 | 0 | 112.1 | ||||
| 194 | A | 30.2 | Very low | 32.1 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -110.8 | 161.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 195 | E | 31.5 | Very low | 32.1 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -146.9 | 168 | 140.2 | -137.1 | 164.7 | -165.9 | 0 | 0 | 110.2 | ||||
| 196 | E | 29.4 | Very low | 32 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -89.1 | -178.1 | -163.8 | -60.3 | -177.7 | 97.4 | 0 | 0 | 114.6 | ||||
| 197 | S | 27.9 | Very low | 32.1 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 87.5 | 148.2 | 156.9 | 88.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 198 | K | 28.5 | Very low | 31.8 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | cis | -171.2 | 139.9 | -17.5 | 158.9 | 174.8 | 178.5 | -177 | 0 | 109.2 | P200 | K198-P200 WeakPolarHBondContact O-CD 3.47Š| ||
| 199 | V | 36.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 135.4 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 200 | P | 43.2 | Very low | 31.3 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -131.1 | 151.5 | 120.5 | 37.5 | -30.1 | 0 | 0 | 0 | 113.1 | K198 | K198-P200 WeakPolarHBondContact O-CD 3.47Š| |||
| 201 | E | 33.2 | Very low | 31 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -73.8 | 154.3 | 157.9 | -62.7 | 151.5 | 115.6 | 0 | 0 | 109.7 | ||||
| 202 | D | 29.1 | Very low | 31.2 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | 165.7 | 121.7 | 126.8 | -92.5 | -20.6 | 0 | 0 | 0 | 114.2 | |||||
| 203 | S | 35.4 | Very low | 31 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 155.8 | 111.1 | 150.6 | 58.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 204 | L | 32 | Very low | 31 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | cis | 60 | 129.7 | 42.6 | -44.7 | -178.2 | 0 | 0 | 0 | 112.2 | ||||
| 205 | E | 30.6 | Very low | 31 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | cis | -131.7 | -143.9 | -6.3 | -154.2 | 108 | 134.6 | 0 | 0 | 107.7 | ||||
| 206 | E | 28.5 | Very low | 31.1 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -154.6 | 135.4 | 1.5 | -157.5 | -150 | 114.2 | 0 | 0 | 110.9 | ||||
| 207 | C | 31.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | 58.6 | 159.4 | 156.2 | -75.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 208 | A | 26.8 | Very low | 31.8 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | cis | -161.6 | 128 | -24.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 209 | I | 28.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 130 Ų | 130 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | 59.4 | 119.1 | 83.1 | -61.2 | 179.9 | 0 | 0 | 0 | 114.4 | |||||
| 210 | T | 26.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 67.6 | 155.9 | 166.5 | 55.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 211 | C | 27.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | cis | -143.4 | 152.3 | 3.6 | -141.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 212 | S | 36.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -68.1 | 156.9 | 163.8 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 213 | N | 27.9 | Very low | 32 | Very low | 169 Ų | 169 | 129 Ų | 129 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | trans | -147.5 | 139 | 145.3 | -116.7 | -25.6 | 0 | 0 | 0 | 111.3 | ||||
| 214 | S | 30.8 | Very low | 31.7 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -106.5 | 158 | -171.8 | 54 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | H | 30.5 | Very low | 31.6 | Very low | 190 Ų | 190 | 136 Ų | 136 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | trans | -156.1 | 112.2 | 139.4 | -117.5 | -61.5 | 0 | 0 | 0 | 113 | ||||
| 216 | G | 34 | Very low | 31.4 | Very low | 52 Ų | 52 | 135.6 Ų | 135.6 | 54% | 0.536 | 78% | 0.777 | S | S | . | * | trans | -87.2 | 168.1 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | P | 41.1 | Very low | 31.3 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | -126.8 | 144.6 | 80.3 | 36.7 | -27.6 | 0 | 0 | 0 | 111.8 | |||||
| 218 | C | 31.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | 60.9 | 111.9 | 65 | -64.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 219 | D | 25.5 | Very low | 30.8 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | -150.4 | 178.8 | 115.3 | -137.5 | -36.2 | 0 | 0 | 0 | 111.6 | |||||
| 220 | S | 33.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -101.9 | -174.7 | -151.1 | -157.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 221 | N | 29.2 | Very low | 30.5 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -94.7 | 171.3 | -163.2 | -74.4 | -82.7 | 0 | 0 | 0 | 116.3 | ||||
| 222 | Q | 32 | Very low | 30.5 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 98.1 | 149 | 155.5 | -68.8 | -81.7 | -48.7 | 0 | 0 | 118.6 | ||||
| 223 | P | 53.4 | Low | 30.2 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 58% | 0.584 | 77% | 0.774 | S | S | * | * | trans | -127.9 | 171 | -146.5 | 43.5 | -29.7 | 0 | 0 | 0 | 115.9 | ||||
| 224 | H | 29.5 | Very low | 30.2 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -140.9 | 156.7 | 158.1 | -84.7 | -71.2 | 0 | 0 | 0 | 112.6 | ||||
| 225 | K | 30.1 | Very low | 30.2 | Very low | 206 Ų | 206 | 147.5 Ų | 147.5 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | trans | -100.5 | 134.2 | 177.8 | -57.9 | 175 | -179.8 | 179.6 | 0 | 110.3 | ||||
| 226 | N | 26 | Very low | 30.1 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -159 | 148.4 | 156 | 34.9 | -8.5 | 0 | 0 | 0 | 113.7 | ||||
| 227 | I | 25.3 | Very low | 29.8 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | trans | -85.1 | 155.5 | -178 | -64.3 | 150.5 | 0 | 0 | 0 | 110.3 | I229 | I227-I229 HydrophobicContact CG2-CD1 4.05Š| ||
| 228 | K | 23.2 | Very low | 29.2 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | 145.5 | 112 | 142.8 | -163.7 | 176.2 | -176.1 | -175.8 | 0 | 109.4 | ||||
| 229 | I | 25.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 146 Ų | 146 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | 68.1 | 145.5 | 67.1 | -55.2 | 163 | 0 | 0 | 0 | 112.5 | I227 | I227-I229 HydrophobicContact CG2-CD1 4.05Š| |||
| 230 | T | 24.3 | Very low | 28.9 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | 99.9 | 119.2 | 180 | 66 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 231 | F | 24 | Very low | 28.6 | Very low | 173 Ų | 173 | 146 Ų | 146 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | 75.2 | 149.9 | 61.6 | -85.2 | -47.9 | 0 | 0 | 0 | 112.4 | |||||
| 232 | E | 27.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | cis | -131.6 | 158.6 | -2.2 | -106.4 | 149.9 | -170.7 | 0 | 0 | 107.1 | ||||
| 233 | E | 30.6 | Very low | 28.3 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | 58.3 | 126.5 | 66 | -156.8 | 166.2 | -165.8 | 0 | 0 | 115 | |||||
| 234 | D | 27.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 165.1 | 143.5 | 157.5 | -95.8 | -6.9 | 0 | 0 | 0 | 109.6 | ||||
| 235 | E | 30 | Very low | 27.1 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | cis | -148.5 | 153.1 | -9.7 | -143.5 | -158.2 | 149.5 | 0 | 0 | 111.8 | ||||
| 236 | V | 29.8 | Very low | 27.1 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 49% | 0.485 | 74% | 0.736 | S | S | . | * | trans | -4.5 | 151.7 | 166.7 | -60.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 237 | N | 27 | Very low | 27.4 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | -142.6 | 120.2 | 100.4 | -103.5 | -82.4 | 0 | 0 | 0 | 110.7 | |||||
| 238 | S | 28 | Very low | 27.6 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | trans | -89 | 173.9 | -172.6 | -41.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 239 | T | 25.2 | Very low | 28.1 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | 161.7 | 103 | 116.6 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 240 | L | 26.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | 55.3 | 157.2 | 139.7 | -55.1 | 177.2 | 0 | 0 | 0 | 122.8 | ||||
| 241 | V | 26.2 | Very low | 28.6 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -171.9 | -175.4 | -35 | 82.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 242 | V | 29.2 | Very low | 28.9 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | 83.5 | 129.5 | 172.4 | -150.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 243 | D | 26.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -70.6 | 155.6 | 169.4 | -30.6 | -106.1 | 0 | 0 | 0 | 112.3 | ||||
| 244 | R | 29.5 | Very low | 29.2 | Very low | 214 Ų | 214 | 137.3 Ų | 137.3 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | -163.3 | 154.1 | 120.6 | -118.3 | -166.3 | 155.9 | 81.6 | 16.9 | 117.8 | |||||
| 245 | E | 26.8 | Very low | 29.4 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | trans | -46.7 | 176.8 | 162.4 | -52.7 | 158.4 | 114.2 | 0 | 0 | 116 | ||||
| 246 | S | 31.7 | Very low | 29.4 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 102.5 | 116 | 150.3 | 68.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 247 | S | 30.7 | Very low | 29.4 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -14.8 | 161.6 | 131.4 | 46.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 248 | H | 29.6 | Very low | 29.7 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | cis | -162.4 | 166.9 | 45 | -141.1 | -75.2 | 0 | 0 | 0 | 113.1 | ||||
| 249 | D | 34.6 | Very low | 30.2 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -59.1 | 149.4 | 156.4 | -54.6 | -83.7 | 0 | 0 | 0 | 111.4 | ||||
| 250 | E | 29 | Very low | 30.9 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | -163.9 | 146 | 119.4 | -113.4 | 179.1 | -174.5 | 0 | 0 | 112.9 | |||||
| 251 | C | 31.8 | Very low | 31.5 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -91.4 | 154.3 | 173.7 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 252 | Q | 30.4 | Very low | 31.6 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -148.6 | 151.7 | 153.8 | -118.7 | 161.1 | 75.9 | 0 | 0 | 111 | ||||
| 253 | D | 33.3 | Very low | 32.3 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -136.1 | 163.9 | -159.1 | -175.1 | 27.1 | 0 | 0 | 0 | 112.3 | ||||
| 254 | A | 29.1 | Very low | 32.5 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | trans | 68 | 127.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 255 | L | 32.2 | Very low | 32.6 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 179.2 | 100.6 | 102.5 | -91.2 | 173.9 | 0 | 0 | 0 | 114.3 | |||||
| 256 | N | 30.4 | Very low | 33 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | 44.5 | 137.6 | 129 | -93.7 | -41.8 | 0 | 0 | 0 | 125 | |||||
| 257 | I | 29.5 | Very low | 33.1 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 90.4 | 100 | 149.7 | -61.2 | 157.4 | 0 | 0 | 0 | 119.9 | ||||
| 258 | L | 33.6 | Very low | 33.3 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | 23 | 150.8 | 126.3 | -73.9 | 172.7 | 0 | 0 | 0 | 121.6 | |||||
| 259 | P | 38.8 | Very low | 33.5 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -142.8 | -179.3 | 40.4 | 41.7 | -22.2 | 0 | 0 | 0 | 118.8 | ||||
| 260 | V | 39.2 | Very low | 33.5 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -121.2 | 132.8 | 179.9 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | P | 39.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -138.5 | 152.9 | 114.4 | 36 | -23.1 | 0 | 0 | 0 | 111.7 | |||||
| 262 | G | 27.8 | Very low | 33.8 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | 95.9 | 143.8 | 24.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 263 | P | 45.2 | Very low | 34.1 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -140 | -152.5 | 2.3 | 33.4 | -7.5 | 0 | 0 | 0 | 114.5 | ||||
| 264 | T | 29.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 89.9 | 100.3 | 159.9 | 62.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 265 | S | 32.4 | Very low | 34.6 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | 43.4 | 108 | 116.5 | 179 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 266 | S | 35.5 | Very low | 34.8 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | -157 | 148.4 | 120.6 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 267 | A | 33.1 | Very low | 35.2 | Very low | 98 Ų | 98 | 118.2 Ų | 118.2 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -106.5 | 121.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 268 | T | 34.9 | Very low | 35.6 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -137 | 110.7 | 169.7 | -53 | 0 | 0 | 0 | 0 | 109 | V270 | T268-V270 HydrophobicContact CG2-CG2 4.34Å; T268-V270 PolarHBondContact O-N 3.02Å | ||
| 269 | N | 34.6 | Very low | 35.9 | Very low | 169 Ų | 169 | 118.4 Ų | 118.4 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -71.4 | 123.6 | 171.8 | -65.2 | -40.8 | 0 | 0 | 0 | 109.3 | ||||
| 270 | V | 33.2 | Very low | 36.3 | Very low | 123 Ų | 123 | 115.9 Ų | 115.9 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | -120.1 | 115.1 | 166 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | T268 M272 | T268-V270 HydrophobicContact CG2-CG2 4.34Å; T268-V270 PolarHBondContact O-N 3.02Å; V270-M272 PolarHBondContact O-N 2.66Å | ||
| 271 | S | 35.7 | Very low | 36.9 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -70 | 123.6 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 272 | M | 32.9 | Very low | 36.9 | Very low | 170 Ų | 170 | 114.9 Ų | 114.9 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | trans | -96.7 | 107.9 | 159.3 | -73 | -163.1 | -65.6 | 0 | 0 | 108.5 | V270 V274 | V270-M272 PolarHBondContact O-N 2.66Å; M272-V274 PolarHBondContact O-N 3.46Å | ||
| 273 | V | 36.7 | Very low | 37.7 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | -67.3 | 103.9 | 168.9 | 174 | 0 | 0 | 0 | 0 | 108 | S275 | V273-S275 PolarHBondContact O-N 2.83Š| ||
| 274 | V | 34.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 116 Ų | 116 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -79.5 | 105.4 | 167 | 177.3 | 0 | 0 | 0 | 0 | 107.3 | M272 A276 | M272-V274 PolarHBondContact O-N 3.46Å; V274-A276 PolarHBondContact O-N 3.42Å | ||
| 275 | S | 37.1 | Very low | 38.8 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -71 | 75.5 | 172.9 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | V273 G277 | V273-S275 PolarHBondContact O-N 2.83Å; S275-G277 PolarHBondContact O-N 3.39Å; S275-G277 VanDerWaalsContact O-N 3.07Å | ||
| 276 | A | 36.9 | Very low | 39.7 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -68.7 | 100.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V274 | V274-A276 PolarHBondContact O-N 3.42Š| ||
| 277 | G | 38.8 | Very low | 40.8 | Very low | 56 Ų | 56 | 114.1 Ų | 114.1 | 58% | 0.577 | 69% | 0.686 | S | S | * | * | trans | -63 | 144.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110 | S275 L279 | S275-G277 PolarHBondContact O-N 3.39Å; S275-G277 VanDerWaalsContact O-N 3.07Å; G277-L279 PolarHBondContact O-N 2.72Å | ||
| 278 | P | 39.1 | Very low | 42.1 | Very low | 132 Ų | 132 | 114.2 Ų | 114.2 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | trans | -69.6 | 97.6 | -178.7 | 28.4 | -34.2 | 0 | 0 | 0 | 110.6 | S280 | P278-S280 PolarHBondContact O-N 2.8Š| ||
| 279 | L | 38.4 | Very low | 43.1 | Very low | 169 Ų | 169 | 113.7 Ų | 113.7 | 89% | 0.885 | 66% | 0.664 | S | S | * | * | trans | -60.5 | 119.2 | 156.4 | -74.3 | 167.2 | 0 | 0 | 0 | 106.9 | G277 S281 | G277-L279 PolarHBondContact O-N 2.72Å; L279-S281 PolarHBondContact O-N 3.46Å; L279-S281 VanDerWaalsContact O-N 3.11Å | ||
| 280 | S | 48.3 | Very low | 44.2 | Very low | 68 Ų | 68 | 109.6 Ų | 109.6 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | trans | -61.2 | 117.9 | -174.9 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | P278 E282 K283 A284 | P278-S280 PolarHBondContact O-N 2.8Å; S280-E282 PolarHBondContact O-N 2.84Å; S280-K283 PolarHBondContact O-N 3.12Å; S280-A284 PolarHBondContact O-N 2.84Å | ||
| 281 | S | 51 | Low | 45.7 | Very low | 75 Ų | 75 | 108 Ų | 108 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.3 | -43.1 | -175.5 | 73 | 0 | 0 | 0 | 0 | 110.2 | L279 K283 A284 E285 | L279-S281 PolarHBondContact O-N 3.46Å; L279-S281 VanDerWaalsContact O-N 3.11Å; S281-K283 VanDerWaalsContact C-N 3.3Å; S281-K283 PolarHBondContact O-N 2.99Å; S281-K283 VanDerWaalsContact O-N 3.17Å; S281-A284 CarbonylContact O-C 3.51Å; S281-A284 WeakPolarHBondContact O-CA 3.32Å; S281-A284 WeakPolarHBondContact O-CB 3.29Å; S281-A284 PolarHBondContact O-N 2.91Å; S281-E285 WeakPolarHBondContact CB-OE1 3.42Å; S281-E285 WeakPolarHBondContact O-CB 3.47Å; S281-E285 VanDerWaalsContact O-CG 3.31Å; S281-E285 WeakPolarHBondContact O-CG 3.32Å; S281-E285 PolarHBondContact O-N 3.37Å; S281-E285 PolarHBondContact OG-OE1 3.17Å |
| 282 | E | 40.3 | Very low | 47.1 | Very low | 151 Ų | 151 | 106.8 Ų | 106.8 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -41.8 | -46.2 | 169.3 | -173.5 | 175.6 | -138.8 | 0 | 0 | 114.3 | S280 E285 M286 | S280-E282 PolarHBondContact O-N 2.84Å; E282-E285 PolarHBondContact O-N 2.92Å; E282-M286 VanDerWaalsContact O-CB 3.29Å; E282-M286 WeakPolarHBondContact O-CB 3.32Å; E282-M286 PolarHBondContact O-N 3.37Å |
| 283 | K | 43.3 | Very low | 48.8 | Very low | 152 Ų | 152 | 105.4 Ų | 105.4 | 66% | 0.661 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76 | -26.3 | -179.5 | -169.5 | 166.3 | -176.1 | 170.6 | 0 | 112.9 | S280 S281 N287 | S280-K283 PolarHBondContact O-N 3.12Å; S281-K283 VanDerWaalsContact C-N 3.3Å; S281-K283 PolarHBondContact O-N 2.99Å; S281-K283 VanDerWaalsContact O-N 3.17Å; K283-N287 PolarHBondContact O-ND2 3.45Å |
| 284 | A | 48.5 | Very low | 50.3 | Low | 53 Ų | 53 | 105.4 Ų | 105.4 | 44% | 0.438 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.6 | -40 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S280 S281 N287 I288 | S280-A284 PolarHBondContact O-N 2.84Å; S281-A284 CarbonylContact O-C 3.51Å; S281-A284 WeakPolarHBondContact O-CA 3.32Å; S281-A284 WeakPolarHBondContact O-CB 3.29Å; S281-A284 PolarHBondContact O-N 2.91Å; A284-N287 PolarHBondContact O-N 3Å; A284-I288 VanDerWaalsContact O-CG1 3.26Å; A284-I288 WeakPolarHBondContact O-CG1 3.23Å; A284-I288 PolarHBondContact O-N 2.8Å |
| 285 | E | 49.9 | Very low | 51.5 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 48% | 0.481 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.3 | -41.2 | 177.8 | -72.7 | 167.3 | -137.8 | 0 | 0 | 111.8 | S281 E282 N287 I288 L289 | S281-E285 WeakPolarHBondContact CB-OE1 3.42Å; S281-E285 WeakPolarHBondContact O-CB 3.47Å; S281-E285 VanDerWaalsContact O-CG 3.31Å; S281-E285 WeakPolarHBondContact O-CG 3.32Å; S281-E285 PolarHBondContact O-N 3.37Å; S281-E285 PolarHBondContact OG-OE1 3.17Å; E282-E285 PolarHBondContact O-N 2.92Å; E285-N287 PolarHBondContact O-N 3.16Å; E285-I288 PolarHBondContact O-N 3.43Å; E285-L289 WeakPolarHBondContact O-CB 3.26Å; E285-L289 PolarHBondContact O-N 2.77Å |
| 286 | M | 51.1 | Low | 52.5 | Low | 134 Ų | 134 | 107 Ų | 107 | 66% | 0.66 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -54.3 | -51 | 171.6 | -162.4 | 78.5 | 137.5 | 0 | 0 | 110.8 | E282 I288 L289 E290 | E282-M286 VanDerWaalsContact O-CB 3.29Å; E282-M286 WeakPolarHBondContact O-CB 3.32Å; E282-M286 PolarHBondContact O-N 3.37Å; M286-I288 PolarHBondContact O-N 3.19Å; M286-L289 PolarHBondContact O-N 3.24Å; M286-E290 WeakPolarHBondContact O-CB 3.44Å; M286-E290 PolarHBondContact O-N 3.22Å |
| 287 | N | 58.2 | Low | 53.6 | Low | 81 Ų | 81 | 106.8 Ų | 106.8 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -43.9 | 175.7 | -83.7 | -85.6 | 0 | 0 | 0 | 111.8 | K283 A284 E285 L289 E290 I291 | K283-N287 PolarHBondContact O-ND2 3.45Å; A284-N287 PolarHBondContact O-N 3Å; E285-N287 PolarHBondContact O-N 3.16Å; N287-L289 PolarHBondContact O-N 3.23Å; N287-E290 PolarHBondContact O-N 3.03Å; N287-I291 HydrophobicContact CB-CD1 4.47Å; N287-I291 WeakPolarHBondContact O-CB 3.46Å; N287-I291 WeakPolarHBondContact O-CD1 3.43Å; N287-I291 WeakPolarHBondContact O-CG1 3.32Å; N287-I291 PolarHBondContact O-N 3.01Å |
| 288 | I | 60.3 | Low | 54.2 | Low | 99 Ų | 99 | 109.3 Ų | 109.3 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -38.2 | -179.6 | -71 | 164.1 | 0 | 0 | 0 | 111.2 | A284 E285 M286 N292 | A284-I288 VanDerWaalsContact O-CG1 3.26Å; A284-I288 WeakPolarHBondContact O-CG1 3.23Å; A284-I288 PolarHBondContact O-N 2.8Å; E285-I288 PolarHBondContact O-N 3.43Å; M286-I288 PolarHBondContact O-N 3.19Å; I288-N292 VanDerWaalsContact O-CB 3.29Å; I288-N292 WeakPolarHBondContact O-CB 3.44Å; I288-N292 PolarHBondContact O-N 2.81Å; I288-N292 PolarHBondContact O-ND2 3.48Å |
| 289 | L | 56.9 | Low | 55.3 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.7 | -51.5 | 174.8 | -86.6 | 163.7 | 0 | 0 | 0 | 111.5 | E285 M286 N287 I291 N292 E293 | E285-L289 WeakPolarHBondContact O-CB 3.26Å; E285-L289 PolarHBondContact O-N 2.77Å; M286-L289 PolarHBondContact O-N 3.24Å; N287-L289 PolarHBondContact O-N 3.23Å; L289-I291 VanDerWaalsContact C-N 3.33Å; L289-I291 PolarHBondContact O-N 3.3Å; L289-N292 PolarHBondContact O-N 3.02Å; L289-N292 VanDerWaalsContact O-N 3.12Å; L289-E293 WeakPolarHBondContact O-CB 3.49Å; L289-E293 PolarHBondContact O-N 2.92Å |
| 290 | E | 58.5 | Low | 56.2 | Low | 84 Ų | 84 | 102.4 Ų | 102.4 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 179.9 | -168.2 | -168.9 | 156.2 | 0 | 0 | 112 | M286 N287 E293 K294 | M286-E290 WeakPolarHBondContact O-CB 3.44Å; M286-E290 PolarHBondContact O-N 3.22Å; N287-E290 PolarHBondContact O-N 3.03Å; E290-E293 PolarHBondContact O-N 3.41Å; E290-K294 HydrophobicContact CG-CD 4.24Å; E290-K294 WeakPolarHBondContact O-CB 3.47Å; E290-K294 WeakPolarHBondContact O-CG 3.39Å; E290-K294 PolarHBondContact O-N 3.18Å; E290-K294 IonicContact OE1-NZ 2.92Å; E290-K294 PolarHBondContact OE1-NZ 2.93Å |
| 291 | I | 63.8 | Low | 57 | Low | 89 Ų | 89 | 104 Ų | 104 | 46% | 0.456 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 174.3 | -70.6 | 166.7 | 0 | 0 | 0 | 110.7 | N287 L289 E293 K294 L295 | N287-I291 HydrophobicContact CB-CD1 4.47Å; N287-I291 WeakPolarHBondContact O-CB 3.46Å; N287-I291 WeakPolarHBondContact O-CD1 3.43Å; N287-I291 WeakPolarHBondContact O-CG1 3.32Å; N287-I291 PolarHBondContact O-N 3.01Å; L289-I291 VanDerWaalsContact C-N 3.33Å; L289-I291 PolarHBondContact O-N 3.3Å; I291-E293 VanDerWaalsContact C-N 3.33Å; I291-E293 PolarHBondContact O-N 3.36Å; I291-K294 PolarHBondContact O-N 3.3Å; I291-L295 HydrophobicContact CG2-CD1 3.58Å; I291-L295 HydrophobicContact CG2-CG 4.16Å; I291-L295 VanDerWaalsContact O-CB 3.26Å; I291-L295 WeakPolarHBondContact O-CB 3.37Å; I291-L295 VanDerWaalsContact O-CG 3.23Å; I291-L295 WeakPolarHBondContact O-CG 2.93Å; I291-L295 PolarHBondContact O-N 2.94Å |
| 292 | N | 64.8 | Low | 57.2 | Low | 78 Ų | 78 | 106.2 Ų | 106.2 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 176 | -90.1 | -75 | 0 | 0 | 0 | 112.4 | I288 L289 R296 | I288-N292 VanDerWaalsContact O-CB 3.29Å; I288-N292 WeakPolarHBondContact O-CB 3.44Å; I288-N292 PolarHBondContact O-N 2.81Å; I288-N292 PolarHBondContact O-ND2 3.48Å; L289-N292 PolarHBondContact O-N 3.02Å; L289-N292 VanDerWaalsContact O-N 3.12Å; N292-R296 WeakPolarHBondContact O-CB 3.26Å; N292-R296 WeakPolarHBondContact O-CD 3.36Å; N292-R296 WeakPolarHBondContact O-CG 3.4Å; N292-R296 PolarHBondContact O-N 2.9Å |
| 293 | E | 67.8 | Low | 58.1 | Low | 141 Ų | 141 | 104.2 Ų | 104.2 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -48.4 | 175 | -174.4 | 171.7 | -163.7 | 0 | 0 | 111 | L289 E290 I291 L295 R296 P297 | L289-E293 WeakPolarHBondContact O-CB 3.49Å; L289-E293 PolarHBondContact O-N 2.92Å; E290-E293 PolarHBondContact O-N 3.41Å; I291-E293 VanDerWaalsContact C-N 3.33Å; I291-E293 PolarHBondContact O-N 3.36Å; E293-L295 PolarHBondContact O-N 3.44Å; E293-R296 PolarHBondContact O-N 3.09Å; E293-P297 WeakPolarHBondContact O-CD 3.46Å |
| 294 | K | 68.7 | Low | 58.7 | Low | 123 Ų | 123 | 100.6 Ų | 100.6 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -32.6 | 178.4 | -71 | 171.1 | 179.5 | 179.5 | 0 | 113.4 | E290 I291 | E290-K294 HydrophobicContact CG-CD 4.24Å; E290-K294 WeakPolarHBondContact O-CB 3.47Å; E290-K294 WeakPolarHBondContact O-CG 3.39Å; E290-K294 PolarHBondContact O-N 3.18Å; E290-K294 IonicContact OE1-NZ 2.92Å; E290-K294 PolarHBondContact OE1-NZ 2.93Å; I291-K294 PolarHBondContact O-N 3.3Å |
| 295 | L | 60.8 | Low | 58.3 | Low | 88 Ų | 88 | 102 Ų | 102 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -80.4 | -23.7 | 178.1 | -71.6 | 176.7 | 0 | 0 | 0 | 114 | I291 E293 Q298 L299 | I291-L295 HydrophobicContact CG2-CD1 3.58Å; I291-L295 HydrophobicContact CG2-CG 4.16Å; I291-L295 VanDerWaalsContact O-CB 3.26Å; I291-L295 WeakPolarHBondContact O-CB 3.37Å; I291-L295 VanDerWaalsContact O-CG 3.23Å; I291-L295 WeakPolarHBondContact O-CG 2.93Å; I291-L295 PolarHBondContact O-N 2.94Å; E293-L295 PolarHBondContact O-N 3.44Å; L295-Q298 PolarHBondContact O-N 3.48Å; L295-L299 VanDerWaalsContact O-CB 3.29Å; L295-L299 WeakPolarHBondContact O-CB 3.23Å; L295-L299 PolarHBondContact O-N 3.41Å |
| 296 | R | 58.1 | Low | 58.4 | Low | 179 Ų | 179 | 103.5 Ų | 103.5 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -50 | 179.8 | -87.2 | 167.5 | -178.1 | -165.3 | 2.1 | 113.2 | N292 E293 Q298 L299 A300 | N292-R296 WeakPolarHBondContact O-CB 3.26Å; N292-R296 WeakPolarHBondContact O-CD 3.36Å; N292-R296 WeakPolarHBondContact O-CG 3.4Å; N292-R296 PolarHBondContact O-N 2.9Å; E293-R296 PolarHBondContact O-N 3.09Å; R296-Q298 PolarHBondContact O-N 3.28Å; R296-L299 PolarHBondContact O-N 2.96Å; R296-A300 WeakPolarHBondContact O-CB 3.27Å; R296-A300 PolarHBondContact O-N 3Å |
| 297 | P | 60.2 | Low | 58.5 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 172.6 | -25.9 | 34.7 | 0 | 0 | 0 | 112.3 | E293 L299 A300 E301 | E293-P297 WeakPolarHBondContact O-CD 3.46Å; P297-L299 PolarHBondContact O-N 2.8Å; P297-A300 PolarHBondContact O-N 3.01Å; P297-E301 WeakPolarHBondContact O-CB 3.18Å; P297-E301 PolarHBondContact O-N 3.43Å |
| 298 | Q | 50.1 | Low | 58.1 | Low | 109 Ų | 109 | 100 Ų | 100 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | -179.7 | -62.6 | -177.4 | 15.9 | 0 | 0 | 112.2 | L295 R296 E301 K302 | L295-Q298 PolarHBondContact O-N 3.48Å; R296-Q298 PolarHBondContact O-N 3.28Å; Q298-E301 PolarHBondContact O-N 2.69Å; Q298-K302 WeakPolarHBondContact O-CB 3.21Å; Q298-K302 VanDerWaalsContact O-CG 3.26Å; Q298-K302 WeakPolarHBondContact O-CG 2.97Å; Q298-K302 PolarHBondContact O-N 3.38Å |
| 299 | L | 62.3 | Low | 57.8 | Low | 100 Ų | 100 | 100.9 Ų | 100.9 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 175 | -180 | 61 | 0 | 0 | 0 | 111.8 | L295 R296 P297 K303 | L295-L299 VanDerWaalsContact O-CB 3.29Å; L295-L299 WeakPolarHBondContact O-CB 3.23Å; L295-L299 PolarHBondContact O-N 3.41Å; R296-L299 PolarHBondContact O-N 2.96Å; P297-L299 PolarHBondContact O-N 2.8Å; L299-K303 HydrophobicContact CD1-CD 4.5Å; L299-K303 HydrophobicContact CD1-CG 4.42Å; L299-K303 HydrophobicContact CG-CD 4.34Å; L299-K303 VanDerWaalsContact O-CB 3.29Å; L299-K303 WeakPolarHBondContact O-CB 3.44Å; L299-K303 WeakPolarHBondContact O-CG 3.41Å; L299-K303 PolarHBondContact O-N 3.36Å |
| 300 | A | 58.5 | Low | 57.6 | Low | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R296 P297 K303 Q304 | R296-A300 WeakPolarHBondContact O-CB 3.27Å; R296-A300 PolarHBondContact O-N 3Å; P297-A300 PolarHBondContact O-N 3.01Å; A300-K303 PolarHBondContact O-N 2.8Å; A300-Q304 WeakPolarHBondContact O-CB 3.42Å; A300-Q304 PolarHBondContact O-N 2.7Å |
| 301 | E | 63.8 | Low | 57.3 | Low | 101 Ų | 101 | 98.7 Ų | 98.7 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -48.7 | 176.3 | -161.9 | -150.8 | 163.2 | 0 | 0 | 111.2 | P297 Q298 K303 Q304 Q305 | P297-E301 WeakPolarHBondContact O-CB 3.18Å; P297-E301 PolarHBondContact O-N 3.43Å; Q298-E301 PolarHBondContact O-N 2.69Å; E301-K303 PolarHBondContact O-N 2.95Å; E301-Q304 CarbonylContact O-C 3.5Å; E301-Q304 WeakPolarHBondContact O-CA 3.33Å; E301-Q304 PolarHBondContact O-N 2.92Å; E301-Q305 WeakPolarHBondContact O-CG 3.16Å; E301-Q305 PolarHBondContact O-N 2.64Å; E301-Q305 PolarHBondContact OE1-NE2 3.19Å |
| 302 | K | 56.5 | Low | 56.9 | Low | 122 Ų | 122 | 101.2 Ų | 101.2 | 53% | 0.53 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 178.5 | -68.3 | -68.9 | 167.9 | -167.4 | 0 | 112.6 | Q298 Q304 F306 | Q298-K302 WeakPolarHBondContact O-CB 3.21Å; Q298-K302 VanDerWaalsContact O-CG 3.26Å; Q298-K302 WeakPolarHBondContact O-CG 2.97Å; Q298-K302 PolarHBondContact O-N 3.38Å; K302-Q304 VanDerWaalsContact C-N 3.34Å; K302-F306 VanDerWaalsContact O-CB 3.3Å; K302-F306 WeakPolarHBondContact O-CB 3.17Å; K302-F306 PolarHBondContact O-N 3.28Å |
| 303 | K | 58.2 | Low | 56.1 | Low | 109 Ų | 109 | 100.3 Ų | 100.3 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 167.2 | -78.3 | 172.9 | 178.3 | -178.1 | 0 | 111.3 | L299 A300 E301 F306 R307 | L299-K303 HydrophobicContact CD1-CD 4.5Å; L299-K303 HydrophobicContact CD1-CG 4.42Å; L299-K303 HydrophobicContact CG-CD 4.34Å; L299-K303 VanDerWaalsContact O-CB 3.29Å; L299-K303 WeakPolarHBondContact O-CB 3.44Å; L299-K303 WeakPolarHBondContact O-CG 3.41Å; L299-K303 PolarHBondContact O-N 3.36Å; A300-K303 PolarHBondContact O-N 2.8Å; E301-K303 PolarHBondContact O-N 2.95Å; K303-F306 PolarHBondContact O-N 2.96Å; K303-R307 WeakPolarHBondContact O-CG 3.47Å; K303-R307 PolarHBondContact O-N 3.35Å |
| 304 | Q | 54.8 | Low | 55.2 | Low | 76 Ų | 76 | 97 Ų | 97 | 36% | 0.355 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.1 | -40.3 | 178.7 | -166.8 | 58.2 | 33.8 | 0 | 0 | 112.9 | A300 E301 K302 F306 R307 N308 | A300-Q304 WeakPolarHBondContact O-CB 3.42Å; A300-Q304 PolarHBondContact O-N 2.7Å; E301-Q304 CarbonylContact O-C 3.5Å; E301-Q304 WeakPolarHBondContact O-CA 3.33Å; E301-Q304 PolarHBondContact O-N 2.92Å; K302-Q304 VanDerWaalsContact C-N 3.34Å; Q304-F306 VanDerWaalsContact C-N 3.32Å; Q304-F306 PolarHBondContact O-N 3.29Å; Q304-R307 PolarHBondContact O-N 3.2Å; Q304-R307 VanDerWaalsContact OE1-CZ 3.3Å; Q304-N308 PolarHBondContact NE2-OD1 3.33Å; Q304-N308 WeakPolarHBondContact O-CB 3.32Å; Q304-N308 PolarHBondContact O-N 2.88Å; Q304-N308 PolarHBondContact O-OD1 3.4Å |
| 305 | Q | 41.8 | Very low | 54.8 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 171.8 | -70.4 | -173.3 | -0.6 | 0 | 0 | 110.5 | E301 N308 L309 | E301-Q305 WeakPolarHBondContact O-CG 3.16Å; E301-Q305 PolarHBondContact O-N 2.64Å; E301-Q305 PolarHBondContact OE1-NE2 3.19Å; Q305-N308 PolarHBondContact O-N 2.92Å; Q305-L309 VanDerWaalsContact O-CB 3.24Å; Q305-L309 WeakPolarHBondContact O-CB 3.3Å; Q305-L309 PolarHBondContact O-N 3.37Å |
| 306 | F | 50.6 | Low | 54.5 | Low | 135 Ų | 135 | 95 Ų | 95 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64 | -45.2 | 174.1 | -175.2 | -102 | 0 | 0 | 0 | 112.1 | K302 K303 Q304 L309 K310 | K302-F306 VanDerWaalsContact O-CB 3.3Å; K302-F306 WeakPolarHBondContact O-CB 3.17Å; K302-F306 PolarHBondContact O-N 3.28Å; K303-F306 PolarHBondContact O-N 2.96Å; Q304-F306 VanDerWaalsContact C-N 3.32Å; Q304-F306 PolarHBondContact O-N 3.29Å; F306-L309 PolarHBondContact O-N 3.44Å; F306-K310 HydrophobicContact CE1-CD 4.46Å; F306-K310 VanDerWaalsContact O-CB 3.23Å; F306-K310 WeakPolarHBondContact O-CB 3.21Å; F306-K310 PolarHBondContact O-N 3.06Å |
| 307 | R | 53.5 | Low | 54 | Low | 73 Ų | 73 | 91.9 Ų | 91.9 | 28% | 0.275 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 173.4 | -76.2 | -170.7 | -72.4 | -124.2 | 3.7 | 111.4 | E80 K303 Q304 L309 K310 E311 | E80-R307 IonicContact OE1-CZ 2.69Å; E80-R307 IonicContact OE1-NH1 3.38Å; E80-R307 PolarHBondContact OE1-NH1 3.11Å; E80-R307 IonicContact OE2-CZ 2.7Å; E80-R307 IonicContact OE2-NH1 2.58Å; E80-R307 PolarHBondContact OE2-NH1 2.97Å; K303-R307 WeakPolarHBondContact O-CG 3.47Å; K303-R307 PolarHBondContact O-N 3.35Å; Q304-R307 PolarHBondContact O-N 3.2Å; Q304-R307 VanDerWaalsContact OE1-CZ 3.3Å; R307-L309 PolarHBondContact O-N 3.41Å; R307-K310 PolarHBondContact O-N 2.87Å; R307-E311 WeakPolarHBondContact O-CB 3.44Å; R307-E311 PolarHBondContact O-N 2.82Å |
| 308 | N | 51.1 | Low | 53.6 | Low | 68 Ų | 68 | 92.1 Ų | 92.1 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 178.1 | -67.7 | -3.7 | 0 | 0 | 0 | 112.2 | Q304 Q305 K312 | Q304-N308 PolarHBondContact NE2-OD1 3.33Å; Q304-N308 WeakPolarHBondContact O-CB 3.32Å; Q304-N308 PolarHBondContact O-N 2.88Å; Q304-N308 PolarHBondContact O-OD1 3.4Å; Q305-N308 PolarHBondContact O-N 2.92Å; N308-K312 WeakPolarHBondContact O-CB 2.96Å; N308-K312 VanDerWaalsContact O-CG 3.28Å; N308-K312 WeakPolarHBondContact O-CG 3.31Å; N308-K312 PolarHBondContact O-N 3.36Å |
| 309 | L | 52.8 | Low | 53.7 | Low | 117 Ų | 117 | 90 Ų | 90 | 61% | 0.613 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.4 | -38.6 | 178.4 | -173.8 | 65.4 | 0 | 0 | 0 | 111.5 | Q305 F306 R307 C313 | Q305-L309 VanDerWaalsContact O-CB 3.24Å; Q305-L309 WeakPolarHBondContact O-CB 3.3Å; Q305-L309 PolarHBondContact O-N 3.37Å; F306-L309 PolarHBondContact O-N 3.44Å; R307-L309 PolarHBondContact O-N 3.41Å; L309-C313 VanDerWaalsContact O-CB 3.25Å; L309-C313 WeakPolarHBondContact O-CB 3.24Å; L309-C313 PolarHBondContact O-N 3.48Å |
| 310 | K | 52.6 | Low | 53.1 | Low | 66 Ų | 66 | 86.9 Ų | 86.9 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.1 | -157.1 | -165.9 | -174.9 | 179.7 | 0 | 110.9 | N73 F306 R307 C313 F314 | N73-K310 PolarHBondContact OD1-NZ 2.84Å; F306-K310 HydrophobicContact CE1-CD 4.46Å; F306-K310 VanDerWaalsContact O-CB 3.23Å; F306-K310 WeakPolarHBondContact O-CB 3.21Å; F306-K310 PolarHBondContact O-N 3.06Å; R307-K310 PolarHBondContact O-N 2.87Å; K310-C313 WeakPolarHBondContact O-CB 3.33Å; K310-C313 PolarHBondContact O-N 2.86Å; K310-F314 HydrophobicContact CB-CE2 4.46Å; K310-F314 HydrophobicContact CD-CE2 3.96Å; K310-F314 HydrophobicContact CD-CZ 4.2Å; K310-F314 HydrophobicContact CG-CD2 4.47Å; K310-F314 HydrophobicContact CG-CE2 3.55Å; K310-F314 HydrophobicContact CG-CZ 3.68Å; K310-F314 WeakPolarHBondContact O-CD2 3.32Å; K310-F314 WeakPolarHBondContact O-CG 3.48Å; K310-F314 PolarHBondContact O-N 3.35Å |
| 311 | E | 53 | Low | 52.9 | Low | 77 Ų | 77 | 89.6 Ų | 89.6 | 36% | 0.36 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176 | -167.9 | 179 | -139.1 | 0 | 0 | 111.8 | R307 C313 F314 L315 K349 | R307-E311 WeakPolarHBondContact O-CB 3.44Å; R307-E311 PolarHBondContact O-N 2.82Å; E311-C313 PolarHBondContact O-N 3.42Å; E311-F314 PolarHBondContact O-N 3.26Å; E311-L315 HydrophobicContact CG-CD1 4.44Å; E311-L315 PolarHBondContact O-N 2.64Å; E311-K349 IonicContact OE1-NZ 3.7Å; E311-K349 PolarHBondContact OE1-NZ 3.1Å; E311-K349 IonicContact OE2-NZ 3.77Å |
| 312 | K | 54.7 | Low | 52.6 | Low | 141 Ų | 141 | 87.1 Ų | 87.1 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.1 | -45.3 | 171.1 | -78.6 | 178 | 177.8 | -175.8 | 0 | 112 | N308 F314 L315 T316 | N308-K312 WeakPolarHBondContact O-CB 2.96Å; N308-K312 VanDerWaalsContact O-CG 3.28Å; N308-K312 WeakPolarHBondContact O-CG 3.31Å; N308-K312 PolarHBondContact O-N 3.36Å; K312-F314 VanDerWaalsContact C-N 3.33Å; K312-F314 PolarHBondContact O-N 2.76Å; K312-L315 PolarHBondContact O-N 2.79Å; K312-T316 PolarHBondContact O-N 2.79Å; K312-T316 PolarHBondContact O-OG1 3.46Å; K312-T316 VanDerWaalsContact O-OG1 3.08Å |
| 313 | C | 47.3 | Very low | 52.5 | Low | 59 Ų | 59 | 83.3 Ų | 83.3 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 178.8 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | L309 K310 E311 T316 Q317 | L309-C313 VanDerWaalsContact O-CB 3.25Å; L309-C313 WeakPolarHBondContact O-CB 3.24Å; L309-C313 PolarHBondContact O-N 3.48Å; K310-C313 WeakPolarHBondContact O-CB 3.33Å; K310-C313 PolarHBondContact O-N 2.86Å; E311-C313 PolarHBondContact O-N 3.42Å; C313-T316 PolarHBondContact O-N 2.9Å; C313-Q317 WeakPolarHBondContact O-CB 3.47Å; C313-Q317 VanDerWaalsContact O-CG 3.31Å; C313-Q317 WeakPolarHBondContact O-CG 3.25Å; C313-Q317 PolarHBondContact O-N 2.84Å |
| 314 | F | 50.9 | Low | 52.4 | Low | 73 Ų | 73 | 83.3 Ų | 83.3 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 174.1 | -59.3 | -41.2 | 0 | 0 | 0 | 112.7 | F69 K310 E311 K312 T316 Q317 L318 | F69-F314 AromaticContact CE1-CE1 3.93Å; F69-F314 HydrophobicContact CE1-CE1 3.93Å; F69-F314 HydrophobicContact CE1-CE2 4.23Å; F69-F314 AromaticContact CE1-CZ 3.47Å; F69-F314 HydrophobicContact CE1-CZ 3.47Å; F69-F314 VanDerWaalsContact CE1-CZ 3.47Å; F69-F314 HydrophobicContact CZ-CZ 4.04Å; K310-F314 HydrophobicContact CB-CE2 4.46Å; K310-F314 HydrophobicContact CD-CE2 3.96Å; K310-F314 HydrophobicContact CD-CZ 4.2Å; K310-F314 HydrophobicContact CG-CD2 4.47Å; K310-F314 HydrophobicContact CG-CE2 3.55Å; K310-F314 HydrophobicContact CG-CZ 3.68Å; K310-F314 WeakPolarHBondContact O-CD2 3.32Å; K310-F314 WeakPolarHBondContact O-CG 3.48Å; K310-F314 PolarHBondContact O-N 3.35Å; E311-F314 PolarHBondContact O-N 3.26Å; K312-F314 VanDerWaalsContact C-N 3.33Å; K312-F314 PolarHBondContact O-N 2.76Å; F314-T316 VanDerWaalsContact C-N 3.3Å; F314-T316 PolarHBondContact O-N 2.97Å; F314-Q317 PolarHBondContact O-N 3.06Å; F314-L318 WeakPolarHBondContact O-CB 3.23Å; F314-L318 PolarHBondContact O-N 3.26Å |
| 315 | L | 58.7 | Low | 52.2 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 173.5 | -82.7 | 159.4 | 0 | 0 | 0 | 112 | E311 K312 S319 L342 | E311-L315 HydrophobicContact CG-CD1 4.44Å; E311-L315 PolarHBondContact O-N 2.64Å; K312-L315 PolarHBondContact O-N 2.79Å; L315-S319 VanDerWaalsContact O-CB 3.26Å; L315-S319 WeakPolarHBondContact O-CB 3.5Å; L315-S319 PolarHBondContact O-N 2.72Å; L315-S319 PolarHBondContact O-OG 2.95Å; L315-L342 HydrophobicContact CD2-CD2 4.17Å |
| 316 | T | 54.6 | Low | 52.6 | Low | 96 Ų | 96 | 83.3 Ų | 83.3 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.3 | -42.5 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | K312 C313 F314 S319 G320 | K312-T316 PolarHBondContact O-N 2.79Å; K312-T316 PolarHBondContact O-OG1 3.46Å; K312-T316 VanDerWaalsContact O-OG1 3.08Å; C313-T316 PolarHBondContact O-N 2.9Å; F314-T316 VanDerWaalsContact C-N 3.3Å; F314-T316 PolarHBondContact O-N 2.97Å; T316-S319 WeakPolarHBondContact CA-OG 3.41Å; T316-S319 PolarHBondContact O-OG 3Å; T316-S319 VanDerWaalsContact O-OG 3.12Å; T316-G320 PolarHBondContact O-N 2.99Å |
| 317 | Q | 47.9 | Very low | 52.7 | Low | 113 Ų | 113 | 85.5 Ų | 85.5 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.6 | -73.6 | 174.2 | -0.8 | 0 | 0 | 111.8 | C313 F314 G320 F321 | C313-Q317 WeakPolarHBondContact O-CB 3.47Å; C313-Q317 VanDerWaalsContact O-CG 3.31Å; C313-Q317 WeakPolarHBondContact O-CG 3.25Å; C313-Q317 PolarHBondContact O-N 2.84Å; F314-Q317 PolarHBondContact O-N 3.06Å; Q317-G320 PolarHBondContact O-N 3.41Å; Q317-F321 WeakPolarHBondContact O-CB 3.48Å; Q317-F321 PolarHBondContact O-N 2.87Å |
| 318 | L | 52.5 | Low | 52.4 | Low | 88 Ų | 88 | 89.6 Ų | 89.6 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66 | -46 | 178.7 | -156.8 | 89.9 | 0 | 0 | 0 | 110.8 | F314 F321 L322 | F314-L318 WeakPolarHBondContact O-CB 3.23Å; F314-L318 PolarHBondContact O-N 3.26Å; L318-F321 PolarHBondContact O-N 3.16Å; L318-L322 HydrophobicContact CD2-CD1 4Å; L318-L322 HydrophobicContact CG-CD1 3.94Å; L318-L322 WeakPolarHBondContact O-CB 3.24Å; L318-L322 WeakPolarHBondContact O-CD1 3.5Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.22Å |
| 319 | S | 52.1 | Low | 52.3 | Low | 66 Ų | 66 | 93.3 Ų | 93.3 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 176.2 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | L315 T316 L322 A323 | L315-S319 VanDerWaalsContact O-CB 3.26Å; L315-S319 WeakPolarHBondContact O-CB 3.5Å; L315-S319 PolarHBondContact O-N 2.72Å; L315-S319 PolarHBondContact O-OG 2.95Å; T316-S319 WeakPolarHBondContact CA-OG 3.41Å; T316-S319 PolarHBondContact O-OG 3Å; T316-S319 VanDerWaalsContact O-OG 3.12Å; S319-L322 PolarHBondContact O-N 2.8Å; S319-A323 VanDerWaalsContact O-CB 3.25Å; S319-A323 WeakPolarHBondContact O-CB 3.18Å; S319-A323 PolarHBondContact O-N 3.43Å |
| 320 | G | 50.1 | Low | 52 | Low | 34 Ų | 34 | 98.1 Ų | 98.1 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T316 Q317 N324 | T316-G320 PolarHBondContact O-N 2.99Å; Q317-G320 PolarHBondContact O-N 3.41Å; G320-N324 WeakPolarHBondContact O-CB 3.05Å; G320-N324 PolarHBondContact O-N 3.48Å |
| 321 | F | 54.1 | Low | 52 | Low | 111 Ų | 111 | 101.4 Ų | 101.4 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 173.7 | -173.2 | -94 | 0 | 0 | 0 | 111.3 | Q317 L318 N324 Q325 | Q317-F321 WeakPolarHBondContact O-CB 3.48Å; Q317-F321 PolarHBondContact O-N 2.87Å; L318-F321 PolarHBondContact O-N 3.16Å; F321-N324 PolarHBondContact O-N 3.18Å; F321-Q325 HydrophobicContact CD1-CG 4.22Å; F321-Q325 HydrophobicContact CE1-CG 4.11Å; F321-Q325 VanDerWaalsContact O-CG 3.23Å; F321-Q325 WeakPolarHBondContact O-CG 3.49Å; F321-Q325 PolarHBondContact O-N 2.86Å |
| 322 | L | 56.1 | Low | 52 | Low | 50 Ų | 50 | 103.1 Ų | 103.1 | 26% | 0.262 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | -179.4 | -70.2 | 163.1 | 0 | 0 | 0 | 112.8 | L318 S319 Q325 Q326 I338 | L318-L322 HydrophobicContact CD2-CD1 4Å; L318-L322 HydrophobicContact CG-CD1 3.94Å; L318-L322 WeakPolarHBondContact O-CB 3.24Å; L318-L322 WeakPolarHBondContact O-CD1 3.5Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.22Å; S319-L322 PolarHBondContact O-N 2.8Å; L322-Q325 WeakPolarHBondContact O-CB 3.24Å; L322-Q325 PolarHBondContact O-N 3.4Å; L322-Q325 VanDerWaalsContact O-N 3.16Å; L322-Q326 PolarHBondContact O-N 2.83Å; L322-I338 HydrophobicContact CB-CD1 4.43Å; L322-I338 HydrophobicContact CD1-CD1 3.76Å; L322-I338 HydrophobicContact CD1-CG1 4.15Å; L322-I338 HydrophobicContact CD2-CD1 4.22Å; L322-I338 HydrophobicContact CG-CD1 4.35Å |
| 323 | A | 55.7 | Low | 51.8 | Low | 41 Ų | 41 | 103.3 Ų | 103.3 | 34% | 0.339 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S319 Q325 Q326 K327 | S319-A323 VanDerWaalsContact O-CB 3.25Å; S319-A323 WeakPolarHBondContact O-CB 3.18Å; S319-A323 PolarHBondContact O-N 3.43Å; A323-Q325 VanDerWaalsContact C-N 3.29Å; A323-Q325 PolarHBondContact O-N 3.34Å; A323-Q326 PolarHBondContact O-N 2.87Å; A323-K327 PolarHBondContact O-N 3.33Å |
| 324 | N | 55.2 | Low | 51.6 | Low | 110 Ų | 110 | 102.5 Ų | 102.5 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.1 | -25.9 | 173.1 | -78.7 | -18.9 | 0 | 0 | 0 | 112.9 | G320 F321 | G320-N324 WeakPolarHBondContact O-CB 3.05Å; G320-N324 PolarHBondContact O-N 3.48Å; F321-N324 PolarHBondContact O-N 3.18Å |
| 325 | Q | 51.2 | Low | 51.8 | Low | 54 Ų | 54 | 103.7 Ų | 103.7 | 25% | 0.252 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76 | -41.6 | 170.6 | -61 | -80 | -23.9 | 0 | 0 | 111.5 | F321 L322 A323 K327 K328 Y329 | F321-Q325 HydrophobicContact CD1-CG 4.22Å; F321-Q325 HydrophobicContact CE1-CG 4.11Å; F321-Q325 VanDerWaalsContact O-CG 3.23Å; F321-Q325 WeakPolarHBondContact O-CG 3.49Å; F321-Q325 PolarHBondContact O-N 2.86Å; L322-Q325 WeakPolarHBondContact O-CB 3.24Å; L322-Q325 PolarHBondContact O-N 3.4Å; L322-Q325 VanDerWaalsContact O-N 3.16Å; A323-Q325 VanDerWaalsContact C-N 3.29Å; A323-Q325 PolarHBondContact O-N 3.34Å; Q325-K327 VanDerWaalsContact C-N 3.31Å; Q325-K327 PolarHBondContact O-N 2.78Å; Q325-K328 PolarHBondContact O-N 2.79Å; Q325-Y329 PolarHBondContact O-N 2.97Å |
| 326 | Q | 49.1 | Very low | 51.7 | Low | 104 Ų | 104 | 104.2 Ų | 104.2 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 175.6 | -78.4 | -177.4 | -17 | 0 | 0 | 112.6 | L322 A323 K328 | L322-Q326 PolarHBondContact O-N 2.83Å; A323-Q326 PolarHBondContact O-N 2.87Å; Q326-K328 PolarHBondContact O-N 2.82Å |
| 327 | K | 54.4 | Low | 51.7 | Low | 182 Ų | 182 | 103.7 Ų | 103.7 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.4 | 173.1 | -74.1 | -178.2 | 177.6 | -179.4 | 0 | 113.9 | A323 Q325 | A323-K327 PolarHBondContact O-N 3.33Å; Q325-K327 VanDerWaalsContact C-N 3.31Å; Q325-K327 PolarHBondContact O-N 2.78Å |
| 328 | K | 46.9 | Very low | 52.3 | Low | 158 Ų | 158 | 100.7 Ų | 100.7 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -26.9 | -173.7 | -159.2 | 165.1 | -172.5 | 168.6 | 0 | 114 | Q325 Q326 | Q325-K328 PolarHBondContact O-N 2.79Å; Q326-K328 PolarHBondContact O-N 2.82Å |
| 329 | Y | 49.3 | Very low | 53 | Low | 146 Ų | 146 | 103.3 Ų | 103.3 | 57% | 0.573 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -145.2 | 132.4 | 173.4 | -66.7 | -81.9 | 0 | 0 | 0 | 111.3 | Q325 Y331 | Q325-Y329 PolarHBondContact O-N 2.97Å; Y329-Y331 PolarHBondContact O-N 3.39Å; Y329-Y331 VanDerWaalsContact O-N 3.11Å |
| 330 | K | 46.3 | Very low | 53.6 | Low | 218 Ų | 218 | 104.8 Ų | 104.8 | 95% | 0.948 | 50% | 0.496 | S | S | * | . | trans | -67.1 | 105.3 | 169.2 | -74.3 | -175.3 | 176.2 | -179.1 | 0 | 109.6 | ||||
| 331 | Y | 51.5 | Low | 53.7 | Low | 135 Ų | 135 | 107.5 Ų | 107.5 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | trans | -136.3 | 92.1 | 177.7 | -111.4 | -76.7 | 0 | 0 | 0 | 110.3 | Y329 | Y329-Y331 PolarHBondContact O-N 3.39Å; Y329-Y331 VanDerWaalsContact O-N 3.11Å | ||
| 332 | E | 52.9 | Low | 54 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.8 | -33.7 | -177.2 | -150.4 | 68.2 | -179.4 | 0 | 0 | 111.5 | C334 K335 D336 | E332-C334 PolarHBondContact O-N 2.88Å; E332-K335 HydrophobicContact CG-CD 4.45Å; E332-K335 WeakPolarHBondContact O-CA 3.38Å; E332-K335 WeakPolarHBondContact O-CB 3.33Å; E332-K335 PolarHBondContact O-N 3.16Å; E332-K335 VanDerWaalsContact OE1-CD 3.29Å; E332-K335 WeakPolarHBondContact OE1-CD 3.45Å; E332-K335 WeakPolarHBondContact OE1-CE 3.45Å; E332-K335 IonicContact OE1-NZ 3.66Å; E332-K335 PolarHBondContact OE1-NZ 2.98Å; E332-K335 IonicContact OE2-NZ 3.98Å; E332-D336 PolarHBondContact O-N 2.87Å |
| 333 | E | 51.3 | Low | 54.5 | Low | 145 Ų | 145 | 112.4 Ų | 112.4 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -54.3 | -37.6 | 175.6 | -60.3 | 172.4 | 159.4 | 0 | 0 | 113.1 | K335 L337 | E333-K335 VanDerWaalsContact C-N 3.3Å; E333-K335 PolarHBondContact O-N 2.94Å; E333-L337 WeakPolarHBondContact O-CB 3.07Å; E333-L337 PolarHBondContact O-N 3.36Å |
| 334 | C | 43.2 | Very low | 54.5 | Low | 41 Ų | 41 | 112.3 Ų | 112.3 | 28% | 0.277 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 176.6 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | E332 I338 | E332-C334 PolarHBondContact O-N 2.88Å; C334-I338 WeakPolarHBondContact O-CD1 3.37Å; C334-I338 WeakPolarHBondContact O-CG1 3.32Å; C334-I338 PolarHBondContact O-N 3.4Å |
| 335 | K | 53.8 | Low | 54.8 | Low | 98 Ų | 98 | 110.6 Ų | 110.6 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -44.2 | -177.8 | -167.2 | -176 | 178.6 | -179.1 | 0 | 110.8 | E332 E333 K339 | E332-K335 HydrophobicContact CG-CD 4.45Å; E332-K335 WeakPolarHBondContact O-CA 3.38Å; E332-K335 WeakPolarHBondContact O-CB 3.33Å; E332-K335 PolarHBondContact O-N 3.16Å; E332-K335 VanDerWaalsContact OE1-CD 3.29Å; E332-K335 WeakPolarHBondContact OE1-CD 3.45Å; E332-K335 WeakPolarHBondContact OE1-CE 3.45Å; E332-K335 IonicContact OE1-NZ 3.66Å; E332-K335 PolarHBondContact OE1-NZ 2.98Å; E332-K335 IonicContact OE2-NZ 3.98Å; E333-K335 VanDerWaalsContact C-N 3.3Å; E333-K335 PolarHBondContact O-N 2.94Å; K335-K339 WeakPolarHBondContact O-CB 3.39Å; K335-K339 PolarHBondContact O-N 3.21Å |
| 336 | D | 57.7 | Low | 55.3 | Low | 85 Ų | 85 | 116.9 Ų | 116.9 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.6 | -33.7 | 176.2 | -74.8 | -49.1 | 0 | 0 | 0 | 112.6 | E332 K339 F340 | E332-D336 PolarHBondContact O-N 2.87Å; D336-K339 PolarHBondContact O-N 3.35Å; D336-K339 IonicContact OD1-NZ 2.61Å; D336-F340 VanDerWaalsContact O-CB 3.25Å; D336-F340 WeakPolarHBondContact O-CB 3.47Å; D336-F340 PolarHBondContact O-N 3.1Å |
| 337 | L | 55.1 | Low | 55.6 | Low | 85 Ų | 85 | 116.6 Ų | 116.6 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 170.6 | -179.6 | 60.3 | 0 | 0 | 0 | 111.9 | E333 F340 M341 | E333-L337 WeakPolarHBondContact O-CB 3.07Å; E333-L337 PolarHBondContact O-N 3.36Å; L337-F340 PolarHBondContact O-N 2.96Å; L337-M341 HydrophobicContact CD1-CG 4.46Å; L337-M341 HydrophobicContact CG-SD 4.32Å; L337-M341 WeakPolarHBondContact O-CG 3.41Å; L337-M341 PolarHBondContact O-N 3.14Å |
| 338 | I | 60.3 | Low | 55.9 | Low | 50 Ų | 50 | 112 Ų | 112 | 26% | 0.256 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 176 | -66.4 | 156.2 | 0 | 0 | 0 | 110.8 | L322 C334 F340 M341 L342 | L322-I338 HydrophobicContact CB-CD1 4.43Å; L322-I338 HydrophobicContact CD1-CD1 3.76Å; L322-I338 HydrophobicContact CD1-CG1 4.15Å; L322-I338 HydrophobicContact CD2-CD1 4.22Å; L322-I338 HydrophobicContact CG-CD1 4.35Å; C334-I338 WeakPolarHBondContact O-CD1 3.37Å; C334-I338 WeakPolarHBondContact O-CG1 3.32Å; C334-I338 PolarHBondContact O-N 3.4Å; I338-F340 VanDerWaalsContact C-N 3.31Å; I338-F340 PolarHBondContact O-N 3.18Å; I338-M341 PolarHBondContact O-N 2.64Å; I338-L342 HydrophobicContact CG2-CD1 3.84Å; I338-L342 HydrophobicContact CG2-CG 4.41Å; I338-L342 WeakPolarHBondContact O-CG 3.5Å; I338-L342 PolarHBondContact O-N 2.99Å |
| 339 | K | 66.8 | Low | 57 | Low | 142 Ų | 142 | 108.2 Ų | 108.2 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.2 | -38.7 | 178.4 | -176.2 | -179 | 174.2 | -169.9 | 0 | 112 | K335 D336 R343 | K335-K339 WeakPolarHBondContact O-CB 3.39Å; K335-K339 PolarHBondContact O-N 3.21Å; D336-K339 PolarHBondContact O-N 3.35Å; D336-K339 IonicContact OD1-NZ 2.61Å; K339-R343 WeakPolarHBondContact O-CB 3.28Å; K339-R343 PolarHBondContact O-N 2.91Å; K339-R343 VanDerWaalsContact O-N 3.16Å |
| 340 | F | 64 | Low | 58 | Low | 98 Ų | 98 | 107.1 Ų | 107.1 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 174.5 | -178.5 | -108.2 | 0 | 0 | 0 | 111.8 | F43 D336 L337 I338 R343 N344 | F43-F340 HydrophobicContact CE1-CE1 4.39Å; F43-F340 AromaticContact CZ-CE1 3.83Å; F43-F340 HydrophobicContact CZ-CE1 3.83Å; D336-F340 VanDerWaalsContact O-CB 3.25Å; D336-F340 WeakPolarHBondContact O-CB 3.47Å; D336-F340 PolarHBondContact O-N 3.1Å; L337-F340 PolarHBondContact O-N 2.96Å; I338-F340 VanDerWaalsContact C-N 3.31Å; I338-F340 PolarHBondContact O-N 3.18Å; F340-R343 PolarHBondContact O-N 3.44Å; F340-N344 WeakPolarHBondContact CD1-ND2 3.4Å; F340-N344 WeakPolarHBondContact CD2-ND2 3.19Å; F340-N344 VanDerWaalsContact CE1-ND2 3.35Å; F340-N344 WeakPolarHBondContact CE1-ND2 3.49Å; F340-N344 VanDerWaalsContact CE2-ND2 3.25Å; F340-N344 WeakPolarHBondContact CE2-ND2 3.41Å; F340-N344 WeakPolarHBondContact CG-ND2 3.31Å; F340-N344 VanDerWaalsContact CZ-ND2 3.26Å; F340-N344 WeakPolarHBondContact CZ-ND2 3.12Å; F340-N344 PolarHBondContact O-N 3.31Å; F340-N344 PolarHBondContact O-ND2 3.22Å |
| 341 | M | 53.3 | Low | 59.1 | Low | 91 Ų | 91 | 101.1 Ų | 101.1 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.4 | -53.5 | 174.9 | -74.4 | 175.5 | 67.8 | 0 | 0 | 111.3 | L337 I338 R343 N344 E345 | L337-M341 HydrophobicContact CD1-CG 4.46Å; L337-M341 HydrophobicContact CG-SD 4.32Å; L337-M341 WeakPolarHBondContact O-CG 3.41Å; L337-M341 PolarHBondContact O-N 3.14Å; I338-M341 PolarHBondContact O-N 2.64Å; M341-R343 VanDerWaalsContact C-N 3.27Å; M341-R343 PolarHBondContact O-N 2.82Å; M341-N344 PolarHBondContact O-N 3.34Å; M341-E345 WeakPolarHBondContact O-CB 3.28Å; M341-E345 PolarHBondContact O-N 2.75Å |
| 342 | L | 60.4 | Low | 60.4 | Low | 88 Ų | 88 | 97 Ų | 97 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -32.8 | -179.5 | -68.6 | 170.5 | 0 | 0 | 0 | 113 | L315 I338 R346 | L315-L342 HydrophobicContact CD2-CD2 4.17Å; I338-L342 HydrophobicContact CG2-CD1 3.84Å; I338-L342 HydrophobicContact CG2-CG 4.41Å; I338-L342 WeakPolarHBondContact O-CG 3.5Å; I338-L342 PolarHBondContact O-N 2.99Å; L342-R346 WeakPolarHBondContact O-CB 3.44Å; L342-R346 PolarHBondContact O-N 2.85Å |
| 343 | R | 66.8 | Low | 61.3 | Low | 175 Ų | 175 | 96.9 Ų | 96.9 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.4 | -49.8 | 175.4 | -166.9 | -179.6 | -169.9 | -176.4 | 3.8 | 111.8 | K339 F340 M341 E345 R346 Q347 | K339-R343 WeakPolarHBondContact O-CB 3.28Å; K339-R343 PolarHBondContact O-N 2.91Å; K339-R343 VanDerWaalsContact O-N 3.16Å; F340-R343 PolarHBondContact O-N 3.44Å; M341-R343 VanDerWaalsContact C-N 3.27Å; M341-R343 PolarHBondContact O-N 2.82Å; R343-E345 VanDerWaalsContact C-N 3.34Å; R343-E345 PolarHBondContact O-N 3.41Å; R343-R346 PolarHBondContact O-N 2.83Å; R343-Q347 WeakPolarHBondContact O-CG 3.34Å; R343-Q347 PolarHBondContact O-N 3.45Å; R343-Q347 PolarHBondContact O-OE1 2.94Å |
| 344 | N | 55.8 | Low | 62.5 | Low | 39 Ų | 39 | 92.9 Ų | 92.9 | 21% | 0.209 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 178 | -74.4 | -89.1 | 0 | 0 | 0 | 111.4 | K39 F340 M341 Q347 F348 | K39-N344 PolarHBondContact NZ-OD1 3.07Å; F340-N344 WeakPolarHBondContact CD1-ND2 3.4Å; F340-N344 WeakPolarHBondContact CD2-ND2 3.19Å; F340-N344 VanDerWaalsContact CE1-ND2 3.35Å; F340-N344 WeakPolarHBondContact CE1-ND2 3.49Å; F340-N344 VanDerWaalsContact CE2-ND2 3.25Å; F340-N344 WeakPolarHBondContact CE2-ND2 3.41Å; F340-N344 WeakPolarHBondContact CG-ND2 3.31Å; F340-N344 VanDerWaalsContact CZ-ND2 3.26Å; F340-N344 WeakPolarHBondContact CZ-ND2 3.12Å; F340-N344 PolarHBondContact O-N 3.31Å; F340-N344 PolarHBondContact O-ND2 3.22Å; M341-N344 PolarHBondContact O-N 3.34Å; N344-Q347 PolarHBondContact O-N 2.73Å; N344-F348 WeakPolarHBondContact O-CB 3.43Å; N344-F348 PolarHBondContact O-N 3.01Å |
| 345 | E | 61.6 | Low | 64.3 | Low | 74 Ų | 74 | 95.3 Ų | 95.3 | 35% | 0.346 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | -180 | -165 | -162.7 | 135.6 | 0 | 0 | 111.7 | M341 R343 F348 K349 | M341-E345 WeakPolarHBondContact O-CB 3.28Å; M341-E345 PolarHBondContact O-N 2.75Å; R343-E345 VanDerWaalsContact C-N 3.34Å; R343-E345 PolarHBondContact O-N 3.41Å; E345-F348 PolarHBondContact O-N 3.24Å; E345-K349 HydrophobicContact CG-CD 4.37Å; E345-K349 WeakPolarHBondContact O-CB 3.35Å; E345-K349 WeakPolarHBondContact O-CG 3.48Å; E345-K349 PolarHBondContact O-N 2.95Å; E345-K349 WeakPolarHBondContact OE1-CE 3.42Å; E345-K349 IonicContact OE1-NZ 2.6Å; E345-K349 PolarHBondContact OE1-NZ 3.34Å |
| 346 | R | 61.1 | Low | 65.5 | Low | 187 Ų | 187 | 92.2 Ų | 92.2 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.2 | -52.1 | 171.6 | -177.9 | -176.9 | -67 | -164.6 | -2.4 | 111 | L342 R343 F348 K349 E350 | L342-R346 WeakPolarHBondContact O-CB 3.44Å; L342-R346 PolarHBondContact O-N 2.85Å; R343-R346 PolarHBondContact O-N 2.83Å; R346-F348 VanDerWaalsContact C-N 3.3Å; R346-F348 PolarHBondContact O-N 3Å; R346-K349 PolarHBondContact O-N 3.11Å; R346-K349 VanDerWaalsContact O-N 3.15Å; R346-E350 WeakPolarHBondContact O-CB 3.5Å; R346-E350 PolarHBondContact O-N 2.91Å |
| 347 | Q | 54.5 | Low | 66.6 | Low | 97 Ų | 97 | 94 Ų | 94 | 45% | 0.453 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | -178.1 | -70.7 | 177.2 | -62.7 | 0 | 0 | 112.4 | R343 N344 E350 E351 | R343-Q347 WeakPolarHBondContact O-CG 3.34Å; R343-Q347 PolarHBondContact O-N 3.45Å; R343-Q347 PolarHBondContact O-OE1 2.94Å; N344-Q347 PolarHBondContact O-N 2.73Å; Q347-E350 PolarHBondContact O-N 2.83Å; Q347-E351 WeakPolarHBondContact O-CB 3.24Å; Q347-E351 PolarHBondContact O-N 3.27Å |
| 348 | F | 61.9 | Low | 68.2 | Low | 85 Ų | 85 | 97.2 Ų | 97.2 | 37% | 0.373 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 174.1 | 176.3 | -107.8 | 0 | 0 | 0 | 112.8 | N344 E345 R346 E350 K352 | N344-F348 WeakPolarHBondContact O-CB 3.43Å; N344-F348 PolarHBondContact O-N 3.01Å; E345-F348 PolarHBondContact O-N 3.24Å; R346-F348 VanDerWaalsContact C-N 3.3Å; R346-F348 PolarHBondContact O-N 3Å; F348-E350 VanDerWaalsContact C-N 3.3Å; F348-K352 VanDerWaalsContact O-CB 3.26Å; F348-K352 WeakPolarHBondContact O-CB 3.37Å; F348-K352 PolarHBondContact O-N 3.09Å; F348-K352 VanDerWaalsContact O-N 3.07Å |
| 349 | K | 70.4 | Confident | 69.2 | Low | 80 Ų | 80 | 98 Ų | 98 | 35% | 0.348 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 173.8 | -76.2 | 173.1 | 169.1 | 175.4 | 0 | 111.7 | E311 E345 R346 L353 | E311-K349 IonicContact OE1-NZ 3.7Å; E311-K349 PolarHBondContact OE1-NZ 3.1Å; E311-K349 IonicContact OE2-NZ 3.77Å; E345-K349 HydrophobicContact CG-CD 4.37Å; E345-K349 WeakPolarHBondContact O-CB 3.35Å; E345-K349 WeakPolarHBondContact O-CG 3.48Å; E345-K349 PolarHBondContact O-N 2.95Å; E345-K349 WeakPolarHBondContact OE1-CE 3.42Å; E345-K349 IonicContact OE1-NZ 2.6Å; E345-K349 PolarHBondContact OE1-NZ 3.34Å; R346-K349 PolarHBondContact O-N 3.11Å; R346-K349 VanDerWaalsContact O-N 3.15Å; K349-L353 WeakPolarHBondContact O-CB 3.33Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 3.12Å; K349-L353 VanDerWaalsContact O-N 3.11Å |
| 350 | E | 68.3 | Low | 70 | Confident | 123 Ų | 123 | 93.9 Ų | 93.9 | 58% | 0.575 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -72.6 | -51.3 | 177.1 | -173 | 172.6 | -171.8 | 0 | 0 | 112.6 | R346 Q347 F348 K352 L353 A354 | R346-E350 WeakPolarHBondContact O-CB 3.5Å; R346-E350 PolarHBondContact O-N 2.91Å; Q347-E350 PolarHBondContact O-N 2.83Å; F348-E350 VanDerWaalsContact C-N 3.3Å; E350-K352 VanDerWaalsContact C-N 3.31Å; E350-K352 PolarHBondContact O-N 3.27Å; E350-L353 PolarHBondContact O-N 3.32Å; E350-L353 VanDerWaalsContact O-N 3.13Å; E350-A354 PolarHBondContact O-N 2.8Å |
| 351 | E | 70.8 | Confident | 71.1 | Confident | 92 Ų | 92 | 92.7 Ų | 92.7 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 174.9 | -171.2 | -170.5 | -173.9 | 0 | 0 | 111.1 | R36 Q347 L353 A354 E355 | R36-E351 IonicContact CZ-OE1 3.84Å; R36-E351 IonicContact CZ-OE2 3.87Å; R36-E351 IonicContact NH1-OE1 2.79Å; R36-E351 PolarHBondContact NH1-OE1 2.72Å; R36-E351 IonicContact NH1-OE2 2.64Å; R36-E351 PolarHBondContact NH1-OE2 2.77Å; Q347-E351 WeakPolarHBondContact O-CB 3.24Å; Q347-E351 PolarHBondContact O-N 3.27Å; E351-L353 VanDerWaalsContact C-N 3.33Å; E351-L353 PolarHBondContact O-N 2.96Å; E351-A354 PolarHBondContact O-N 3.41Å; E351-E355 PolarHBondContact O-N 3.33Å |
| 352 | K | 77.4 | Confident | 73 | Confident | 48 Ų | 48 | 90.9 Ų | 90.9 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.1 | -29.1 | 178.9 | -171.2 | 156.6 | -169.5 | 168.7 | 0 | 113.1 | F348 E350 Q356 | F348-K352 VanDerWaalsContact O-CB 3.26Å; F348-K352 WeakPolarHBondContact O-CB 3.37Å; F348-K352 PolarHBondContact O-N 3.09Å; F348-K352 VanDerWaalsContact O-N 3.07Å; E350-K352 VanDerWaalsContact C-N 3.31Å; E350-K352 PolarHBondContact O-N 3.27Å; K352-Q356 WeakPolarHBondContact O-CG 3.34Å; K352-Q356 PolarHBondContact O-N 3.48Å; K352-Q356 VanDerWaalsContact O-N 3.16Å |
| 353 | L | 73.6 | Confident | 74.3 | Confident | 111 Ų | 111 | 87.7 Ų | 87.7 | 58% | 0.581 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.8 | -42.7 | 171.3 | -91.7 | 166.7 | 0 | 0 | 0 | 111.5 | K349 E350 E351 E355 Q356 L357 | K349-L353 WeakPolarHBondContact O-CB 3.33Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 3.12Å; K349-L353 VanDerWaalsContact O-N 3.11Å; E350-L353 PolarHBondContact O-N 3.32Å; E350-L353 VanDerWaalsContact O-N 3.13Å; E351-L353 VanDerWaalsContact C-N 3.33Å; E351-L353 PolarHBondContact O-N 2.96Å; L353-E355 PolarHBondContact O-N 3.41Å; L353-Q356 PolarHBondContact O-N 3.11Å; L353-L357 WeakPolarHBondContact O-CB 3.4Å; L353-L357 PolarHBondContact O-N 2.88Å |
| 354 | A | 75.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 86.4 Ų | 86.4 | 51% | 0.512 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E350 E351 L357 K358 | E350-A354 PolarHBondContact O-N 2.8Å; E351-A354 PolarHBondContact O-N 3.41Å; A354-L357 PolarHBondContact O-N 2.93Å; A354-K358 PolarHBondContact O-N 3.1Å |
| 355 | E | 81.6 | Confident | 77.2 | Confident | 91 Ų | 91 | 90.1 Ų | 90.1 | 43% | 0.425 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.6 | -169.8 | 165.1 | -129.8 | 0 | 0 | 112.3 | E351 L353 K358 Q359 | E351-E355 PolarHBondContact O-N 3.33Å; L353-E355 PolarHBondContact O-N 3.41Å; E355-K358 PolarHBondContact O-N 2.86Å; E355-Q359 WeakPolarHBondContact O-CG 3.35Å; E355-Q359 PolarHBondContact O-N 2.98Å; E355-Q359 VanDerWaalsContact O-N 3.11Å |
| 356 | Q | 79.6 | Confident | 78.7 | Confident | 33 Ų | 33 | 89.1 Ų | 89.1 | 15% | 0.154 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 173.3 | -71 | -169.5 | -95.3 | 0 | 0 | 112.5 | K352 L353 Q359 A360 | K352-Q356 WeakPolarHBondContact O-CG 3.34Å; K352-Q356 PolarHBondContact O-N 3.48Å; K352-Q356 VanDerWaalsContact O-N 3.16Å; L353-Q356 PolarHBondContact O-N 3.11Å; Q356-Q359 PolarHBondContact O-N 3Å; Q356-A360 WeakPolarHBondContact O-CB 3.35Å; Q356-A360 PolarHBondContact O-N 3.48Å |
| 357 | L | 80.3 | Confident | 80.2 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 65% | 0.649 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 174 | -109.7 | 167.3 | 0 | 0 | 0 | 111.6 | L353 A354 A360 E361 | L353-L357 WeakPolarHBondContact O-CB 3.4Å; L353-L357 PolarHBondContact O-N 2.88Å; A354-L357 PolarHBondContact O-N 2.93Å; L357-A360 PolarHBondContact O-N 2.64Å; L357-E361 PolarHBondContact O-N 2.91Å |
| 358 | K | 87.4 | Confident | 82 | Confident | 152 Ų | 152 | 83 Ų | 83 | 66% | 0.661 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 176.7 | -171.8 | -175.6 | 176.3 | -171.7 | 0 | 111.8 | A354 E355 A360 E361 E362 | A354-K358 PolarHBondContact O-N 3.1Å; E355-K358 PolarHBondContact O-N 2.86Å; K358-A360 VanDerWaalsContact C-N 3.33Å; K358-A360 PolarHBondContact O-N 2.85Å; K358-E361 PolarHBondContact O-N 3.4Å; K358-E362 WeakPolarHBondContact O-CB 3.31Å; K358-E362 PolarHBondContact O-N 2.92Å |
| 359 | Q | 83.1 | Confident | 83.6 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 177.5 | -72 | 174.2 | -13.6 | 0 | 0 | 112.3 | E355 Q356 L363 | E355-Q359 WeakPolarHBondContact O-CG 3.35Å; E355-Q359 PolarHBondContact O-N 2.98Å; E355-Q359 VanDerWaalsContact O-N 3.11Å; Q356-Q359 PolarHBondContact O-N 3Å; Q359-L363 WeakPolarHBondContact O-CB 3.47Å; Q359-L363 PolarHBondContact O-N 2.89Å |
| 360 | A | 82.2 | Confident | 84.7 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q356 L357 K358 L363 R364 | Q356-A360 WeakPolarHBondContact O-CB 3.35Å; Q356-A360 PolarHBondContact O-N 3.48Å; L357-A360 PolarHBondContact O-N 2.64Å; K358-A360 VanDerWaalsContact C-N 3.33Å; K358-A360 PolarHBondContact O-N 2.85Å; A360-L363 PolarHBondContact O-N 2.86Å; A360-R364 WeakPolarHBondContact O-CB 3.42Å; A360-R364 PolarHBondContact O-N 2.96Å |
| 361 | E | 88.8 | Confident | 85.7 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 176.4 | -173.7 | 59.6 | -154.1 | 0 | 0 | 111.6 | L357 K358 R364 Q365 | L357-E361 PolarHBondContact O-N 2.91Å; K358-E361 PolarHBondContact O-N 3.4Å; E361-R364 VanDerWaalsContact CD-NH1 3.28Å; E361-R364 WeakPolarHBondContact O-CB 3.45Å; E361-R364 PolarHBondContact O-N 2.87Å; E361-R364 IonicContact OE1-CZ 2.73Å; E361-R364 IonicContact OE1-NH1 2.76Å; E361-R364 PolarHBondContact OE1-NH1 2.94Å; E361-R364 VanDerWaalsContact OE2-CD 3.31Å; E361-R364 WeakPolarHBondContact OE2-CD 3.34Å; E361-R364 IonicContact OE2-CZ 2.62Å; E361-R364 IonicContact OE2-NH1 2.72Å; E361-R364 PolarHBondContact OE2-NH1 3.43Å; E361-Q365 VanDerWaalsContact O-CG 3.31Å; E361-Q365 WeakPolarHBondContact O-CG 3.35Å; E361-Q365 PolarHBondContact O-N 2.94Å |
| 362 | E | 91.3 | Very high | 86.7 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 171.6 | -168.6 | -178.1 | 154.7 | 0 | 0 | 111 | L92 K96 K358 R364 Q365 Y366 | L92-E362 HydrophobicContact CD1-CG 4.14Å; L92-E362 HydrophobicContact CD2-CG 4.49Å; K96-E362 VanDerWaalsContact CE-OE1 3.26Å; K96-E362 WeakPolarHBondContact CE-OE1 3.49Å; K96-E362 IonicContact NZ-OE1 2.72Å; K96-E362 PolarHBondContact NZ-OE1 3.18Å; K358-E362 WeakPolarHBondContact O-CB 3.31Å; K358-E362 PolarHBondContact O-N 2.92Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 3.49Å; E362-Q365 PolarHBondContact O-N 3.39Å; E362-Y366 HydrophobicContact CG-CD2 4.12Å; E362-Y366 HydrophobicContact CG-CE2 3.92Å; E362-Y366 VanDerWaalsContact O-CD2 3.26Å; E362-Y366 WeakPolarHBondContact O-CD2 3.45Å; E362-Y366 PolarHBondContact O-N 3.4Å |
| 363 | L | 88.4 | Confident | 87.5 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 175.3 | -179.7 | 63.2 | 0 | 0 | 0 | 112.8 | E91 L92 Y95 Q359 A360 K367 | E91-L363 HydrophobicContact CG-CD1 4.18Å; L92-L363 HydrophobicContact CB-CD1 4.34Å; L92-L363 HydrophobicContact CD1-CB 4.28Å; L92-L363 HydrophobicContact CD1-CD1 4.31Å; Y95-L363 HydrophobicContact CD2-CD1 3.61Å; Y95-L363 HydrophobicContact CE2-CD1 4.14Å; Y95-L363 HydrophobicContact CG-CD1 4.35Å; Q359-L363 WeakPolarHBondContact O-CB 3.47Å; Q359-L363 PolarHBondContact O-N 2.89Å; A360-L363 PolarHBondContact O-N 2.86Å; L363-K367 HydrophobicContact CG-CD 4.43Å; L363-K367 WeakPolarHBondContact O-CG 3.33Å; L363-K367 PolarHBondContact O-N 2.94Å |
| 364 | R | 91.1 | Very high | 88.4 | Confident | 149 Ų | 149 | 71.9 Ų | 71.9 | 56% | 0.562 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 174.2 | 178.1 | -172.1 | 171.2 | -137.6 | -3.7 | 111.4 | A360 E361 E362 K367 V368 | A360-R364 WeakPolarHBondContact O-CB 3.42Å; A360-R364 PolarHBondContact O-N 2.96Å; E361-R364 VanDerWaalsContact CD-NH1 3.28Å; E361-R364 WeakPolarHBondContact O-CB 3.45Å; E361-R364 PolarHBondContact O-N 2.87Å; E361-R364 IonicContact OE1-CZ 2.73Å; E361-R364 IonicContact OE1-NH1 2.76Å; E361-R364 PolarHBondContact OE1-NH1 2.94Å; E361-R364 VanDerWaalsContact OE2-CD 3.31Å; E361-R364 WeakPolarHBondContact OE2-CD 3.34Å; E361-R364 IonicContact OE2-CZ 2.62Å; E361-R364 IonicContact OE2-NH1 2.72Å; E361-R364 PolarHBondContact OE2-NH1 3.43Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 3.49Å; R364-K367 PolarHBondContact O-N 3.44Å; R364-V368 WeakPolarHBondContact O-CG2 3.4Å; R364-V368 PolarHBondContact O-N 3.45Å |
| 365 | Q | 93.3 | Very high | 89.1 | Confident | 116 Ų | 116 | 76.7 Ų | 76.7 | 54% | 0.542 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 177 | -72.1 | 168.2 | 6.3 | 0 | 0 | 111.3 | E361 E362 K367 V368 L369 | E361-Q365 VanDerWaalsContact O-CG 3.31Å; E361-Q365 WeakPolarHBondContact O-CG 3.35Å; E361-Q365 PolarHBondContact O-N 2.94Å; E362-Q365 PolarHBondContact O-N 3.39Å; Q365-K367 VanDerWaalsContact C-N 3.33Å; Q365-K367 PolarHBondContact O-N 2.93Å; Q365-V368 PolarHBondContact O-N 3.13Å; Q365-L369 WeakPolarHBondContact O-CB 3.35Å; Q365-L369 PolarHBondContact O-N 3.33Å |
| 366 | Y | 91.7 | Very high | 89.7 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 174.6 | -83.6 | -71 | 0 | 0 | 0 | 113.4 | L92 K96 V99 E362 L369 V370 | L92-Y366 HydrophobicContact CD1-CD2 3.6Å; L92-Y366 HydrophobicContact CD1-CE2 4.12Å; L92-Y366 HydrophobicContact CD1-CG 4.44Å; K96-Y366 HydrophobicContact CD-CE2 4.22Å; K96-Y366 VanDerWaalsContact CE-CZ 3.49Å; K96-Y366 WeakPolarHBondContact CE-OH 3.29Å; K96-Y366 HydrophobicContact CG-CD1 4.23Å; K96-Y366 HydrophobicContact CG-CD2 4.34Å; K96-Y366 HydrophobicContact CG-CE1 3.73Å; K96-Y366 HydrophobicContact CG-CE2 3.84Å; V99-Y366 HydrophobicContact CB-CD1 4.49Å; V99-Y366 HydrophobicContact CG2-CD1 3.87Å; V99-Y366 HydrophobicContact CG2-CE1 4.41Å; E362-Y366 HydrophobicContact CG-CD2 4.12Å; E362-Y366 HydrophobicContact CG-CE2 3.92Å; E362-Y366 VanDerWaalsContact O-CD2 3.26Å; E362-Y366 WeakPolarHBondContact O-CD2 3.45Å; E362-Y366 PolarHBondContact O-N 3.4Å; Y366-L369 PolarHBondContact O-N 3.45Å; Y366-V370 WeakPolarHBondContact O-CG2 3.45Å; Y366-V370 PolarHBondContact O-N 3.41Å |
| 367 | K | 92.4 | Very high | 90.3 | Very high | 60 Ų | 60 | 73.7 Ų | 73.7 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 174.8 | -77.1 | 172.2 | 179.7 | -178.9 | 0 | 113 | E91 Y95 L363 R364 Q365 H371 | E91-K367 WeakPolarHBondContact OE1-CE 3.45Å; E91-K367 IonicContact OE1-NZ 3.14Å; E91-K367 PolarHBondContact OE1-NZ 2.99Å; Y95-K367 HydrophobicContact CD1-CG 4.12Å; Y95-K367 HydrophobicContact CD2-CG 4.45Å; Y95-K367 HydrophobicContact CE1-CG 3.6Å; Y95-K367 HydrophobicContact CE2-CD 4.28Å; Y95-K367 HydrophobicContact CE2-CG 3.97Å; Y95-K367 VanDerWaalsContact CZ-CE 3.41Å; Y95-K367 WeakPolarHBondContact OH-CE 3.45Å; L363-K367 HydrophobicContact CG-CD 4.43Å; L363-K367 WeakPolarHBondContact O-CG 3.33Å; L363-K367 PolarHBondContact O-N 2.94Å; R364-K367 PolarHBondContact O-N 3.44Å; Q365-K367 VanDerWaalsContact C-N 3.33Å; Q365-K367 PolarHBondContact O-N 2.93Å; K367-H371 PolarHBondContact O-CD2 3.15Å; K367-H371 VanDerWaalsContact O-CD2 3.31Å; K367-H371 PolarHBondContact O-N 2.93Å |
| 368 | V | 93.9 | Very high | 90.8 | Very high | 95 Ų | 95 | 72 Ų | 72 | 58% | 0.576 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | R364 Q365 H371 A372 | R364-V368 WeakPolarHBondContact O-CG2 3.4Å; R364-V368 PolarHBondContact O-N 3.45Å; Q365-V368 PolarHBondContact O-N 3.13Å; V368-H371 PolarHBondContact O-N 3.06Å; V368-A372 PolarHBondContact O-N 2.88Å |
| 369 | L | 94.3 | Very high | 91.1 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 179.1 | -178.8 | 57.1 | 0 | 0 | 0 | 112.4 | V99 Q365 Y366 H371 A372 Q373 | V99-L369 HydrophobicContact CG1-CD2 3.72Å; V99-L369 HydrophobicContact CG1-CG 4.3Å; V99-L369 HydrophobicContact CG2-CD2 4.08Å; V99-L369 HydrophobicContact CG2-CG 4.14Å; Q365-L369 WeakPolarHBondContact O-CB 3.35Å; Q365-L369 PolarHBondContact O-N 3.33Å; Y366-L369 PolarHBondContact O-N 3.45Å; L369-H371 PolarHBondContact O-N 3.3Å; L369-A372 WeakPolarHBondContact O-CB 3.37Å; L369-A372 PolarHBondContact O-N 3.37Å; L369-Q373 HydrophobicContact CD1-CG 4.2Å; L369-Q373 WeakPolarHBondContact O-CG 3.4Å; L369-Q373 PolarHBondContact O-N 2.89Å |
| 370 | V | 93.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.8 | -48.7 | 174 | 164.3 | 0 | 0 | 0 | 0 | 110.8 | Y95 L98 V99 Y366 A372 Q373 E374 | Y95-V370 HydrophobicContact CD1-CB 4.47Å; Y95-V370 HydrophobicContact CD1-CG2 3.88Å; Y95-V370 HydrophobicContact CE1-CG2 4.38Å; L98-V370 HydrophobicContact CD2-CG1 3.78Å; L98-V370 HydrophobicContact CD2-CG2 4.01Å; L98-V370 HydrophobicContact CG-CG1 4.42Å; L98-V370 HydrophobicContact CG-CG2 4.12Å; V99-V370 HydrophobicContact CG2-CG2 3.46Å; V99-V370 VanDerWaalsContact CG2-CG2 3.46Å; Y366-V370 WeakPolarHBondContact O-CG2 3.45Å; Y366-V370 PolarHBondContact O-N 3.41Å; V370-A372 PolarHBondContact O-N 2.88Å; V370-Q373 PolarHBondContact O-N 3.29Å; V370-E374 HydrophobicContact CG1-CG 4.18Å; V370-E374 VanDerWaalsContact CG1-OE1 3.23Å; V370-E374 WeakPolarHBondContact CG1-OE1 3.33Å; V370-E374 WeakPolarHBondContact O-CB 3.38Å; V370-E374 VanDerWaalsContact O-CG 3.26Å; V370-E374 WeakPolarHBondContact O-CG 3.43Å; V370-E374 PolarHBondContact O-N 3.04Å |
| 371 | H | 89.3 | Confident | 92 | Very high | 95 Ų | 95 | 69.3 Ų | 69.3 | 44% | 0.44 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -20.3 | 177.3 | -69.9 | -39.2 | 0 | 0 | 0 | 114.1 | K367 V368 L369 E374 R375 | K367-H371 PolarHBondContact O-CD2 3.15Å; K367-H371 VanDerWaalsContact O-CD2 3.31Å; K367-H371 PolarHBondContact O-N 2.93Å; V368-H371 PolarHBondContact O-N 3.06Å; L369-H371 PolarHBondContact O-N 3.3Å; H371-E374 IonicContact CE1-OE2 2.7Å; H371-E374 IonicContact CG-OE2 3.86Å; H371-E374 IonicContact ND1-OE2 3.8Å; H371-E374 PolarHBondContact ND1-OE2 2.98Å; H371-R375 VanDerWaalsContact C-NH1 3.34Å; H371-R375 WeakPolarHBondContact O-CG 3.4Å; H371-R375 PolarHBondContact O-NH1 3.08Å |
| 372 | A | 92.1 | Very high | 92.1 | Very high | 47 Ų | 47 | 69.9 Ų | 69.9 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76 | -47.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | V368 L369 V370 E374 R375 E376 | V368-A372 PolarHBondContact O-N 2.88Å; L369-A372 WeakPolarHBondContact O-CB 3.37Å; L369-A372 PolarHBondContact O-N 3.37Å; V370-A372 PolarHBondContact O-N 2.88Å; A372-E374 VanDerWaalsContact C-N 3.34Å; A372-E374 PolarHBondContact O-N 3.16Å; A372-R375 PolarHBondContact O-N 2.83Å; A372-E376 PolarHBondContact O-N 3.45Å; A372-E376 VanDerWaalsContact O-N 3.09Å |
| 373 | Q | 93.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 177.4 | -68.3 | -179.1 | -52.2 | 0 | 0 | 112.4 | Q102 L106 L369 V370 E376 L377 | Q102-Q373 HydrophobicContact CB-CB 4.05Å; L106-Q373 HydrophobicContact CD1-CB 3.94Å; L106-Q373 HydrophobicContact CD1-CG 3.83Å; L369-Q373 HydrophobicContact CD1-CG 4.2Å; L369-Q373 WeakPolarHBondContact O-CG 3.4Å; L369-Q373 PolarHBondContact O-N 2.89Å; V370-Q373 PolarHBondContact O-N 3.29Å; Q373-E376 PolarHBondContact O-N 3.39Å; Q373-L377 VanDerWaalsContact O-CB 3.3Å; Q373-L377 WeakPolarHBondContact O-CB 3.5Å; Q373-L377 WeakPolarHBondContact O-CG 3.41Å; Q373-L377 PolarHBondContact O-N 3.12Å |
| 374 | E | 92.1 | Very high | 92.4 | Very high | 68 Ų | 68 | 68.3 Ų | 68.3 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.1 | -75.5 | 169 | 169 | 0 | 0 | 112.2 | Q102 V370 H371 A372 L377 T378 | Q102-E374 VanDerWaalsContact NE2-CG 3.33Å; V370-E374 HydrophobicContact CG1-CG 4.18Å; V370-E374 VanDerWaalsContact CG1-OE1 3.23Å; V370-E374 WeakPolarHBondContact CG1-OE1 3.33Å; V370-E374 WeakPolarHBondContact O-CB 3.38Å; V370-E374 VanDerWaalsContact O-CG 3.26Å; V370-E374 WeakPolarHBondContact O-CG 3.43Å; V370-E374 PolarHBondContact O-N 3.04Å; H371-E374 IonicContact CE1-OE2 2.7Å; H371-E374 IonicContact CG-OE2 3.86Å; H371-E374 IonicContact ND1-OE2 3.8Å; H371-E374 PolarHBondContact ND1-OE2 2.98Å; A372-E374 VanDerWaalsContact C-N 3.34Å; A372-E374 PolarHBondContact O-N 3.16Å; E374-L377 PolarHBondContact O-N 3.29Å; E374-T378 PolarHBondContact O-N 2.94Å; E374-T378 PolarHBondContact O-OG1 3.19Å |
| 375 | R | 91.3 | Very high | 92.4 | Very high | 163 Ų | 163 | 66.4 Ų | 66.4 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.1 | -45.7 | 177.2 | -70.3 | 176.6 | -170.5 | 104.5 | -6.4 | 111.5 | H371 A372 L377 T378 Q379 | H371-R375 VanDerWaalsContact C-NH1 3.34Å; H371-R375 WeakPolarHBondContact O-CG 3.4Å; H371-R375 PolarHBondContact O-NH1 3.08Å; A372-R375 PolarHBondContact O-N 2.83Å; R375-L377 VanDerWaalsContact C-N 3.34Å; R375-L377 PolarHBondContact O-N 3.29Å; R375-T378 WeakPolarHBondContact O-CB 3.36Å; R375-T378 PolarHBondContact O-N 3.34Å; R375-Q379 WeakPolarHBondContact O-CG 3.34Å; R375-Q379 PolarHBondContact O-N 2.96Å; R375-Q379 PolarHBondContact O-OE1 3.45Å |
| 376 | E | 93.9 | Very high | 92.4 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.1 | -166.8 | -167.9 | 162.9 | 0 | 0 | 111 | L106 R110 A372 Q373 T378 Q379 L380 | L106-E376 HydrophobicContact CD2-CB 3.85Å; L106-E376 HydrophobicContact CD2-CG 3.73Å; R110-E376 IonicContact CZ-OE1 2.83Å; R110-E376 IonicContact CZ-OE2 3.95Å; R110-E376 IonicContact NE-OE1 2.71Å; R110-E376 PolarHBondContact NE-OE1 3.23Å; R110-E376 IonicContact NH2-OE1 2.66Å; R110-E376 PolarHBondContact NH2-OE1 3.28Å; R110-E376 IonicContact NH2-OE2 3.25Å; R110-E376 PolarHBondContact NH2-OE2 3.17Å; A372-E376 PolarHBondContact O-N 3.45Å; A372-E376 VanDerWaalsContact O-N 3.09Å; Q373-E376 PolarHBondContact O-N 3.39Å; E376-T378 VanDerWaalsContact C-N 3.29Å; E376-T378 PolarHBondContact O-N 2.94Å; E376-Q379 PolarHBondContact O-N 2.98Å; E376-L380 HydrophobicContact CG-CD1 4.03Å; E376-L380 HydrophobicContact CG-CG 4.11Å; E376-L380 VanDerWaalsContact O-CG 3.31Å; E376-L380 WeakPolarHBondContact O-CG 3.44Å; E376-L380 PolarHBondContact O-N 3.45Å |
| 377 | L | 91.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 173.9 | -79.3 | 171.4 | 0 | 0 | 0 | 111.8 | Q102 E105 L106 L109 Q373 E374 R375 K381 | Q102-L377 HydrophobicContact CB-CD1 3.92Å; Q102-L377 HydrophobicContact CG-CD1 3.79Å; E105-L377 HydrophobicContact CB-CD2 3.93Å; E105-L377 HydrophobicContact CG-CD2 3.64Å; L106-L377 HydrophobicContact CD2-CB 4.42Å; L106-L377 HydrophobicContact CD2-CD2 3.67Å; L106-L377 HydrophobicContact CD2-CG 3.7Å; L106-L377 HydrophobicContact CG-CD2 3.76Å; L106-L377 HydrophobicContact CG-CG 3.88Å; L109-L377 HydrophobicContact CD1-CD2 3.7Å; Q373-L377 VanDerWaalsContact O-CB 3.3Å; Q373-L377 WeakPolarHBondContact O-CB 3.5Å; Q373-L377 WeakPolarHBondContact O-CG 3.41Å; Q373-L377 PolarHBondContact O-N 3.12Å; E374-L377 PolarHBondContact O-N 3.29Å; R375-L377 VanDerWaalsContact C-N 3.34Å; R375-L377 PolarHBondContact O-N 3.29Å; L377-K381 VanDerWaalsContact O-CB 3.32Å; L377-K381 WeakPolarHBondContact O-CB 3.44Å; L377-K381 WeakPolarHBondContact O-CD 3.47Å; L377-K381 WeakPolarHBondContact O-CG 3.34Å; L377-K381 PolarHBondContact O-N 3.28Å; L377-K381 VanDerWaalsContact O-N 3.11Å |
| 378 | T | 91.4 | Very high | 92.5 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -50.3 | 173.8 | -61 | 0 | 0 | 0 | 0 | 111.4 | E374 R375 E376 L380 K381 E382 | E374-T378 PolarHBondContact O-N 2.94Å; E374-T378 PolarHBondContact O-OG1 3.19Å; R375-T378 WeakPolarHBondContact O-CB 3.36Å; R375-T378 PolarHBondContact O-N 3.34Å; E376-T378 VanDerWaalsContact C-N 3.29Å; E376-T378 PolarHBondContact O-N 2.94Å; T378-L380 PolarHBondContact O-N 3.38Å; T378-K381 PolarHBondContact O-N 2.88Å; T378-E382 WeakPolarHBondContact O-CB 3.41Å; T378-E382 PolarHBondContact O-N 3.06Å |
| 379 | Q | 92.3 | Very high | 92.4 | Very high | 97 Ų | 97 | 58.6 Ų | 58.6 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | -179.4 | -70.5 | 170 | -60.6 | 0 | 0 | 112.6 | R375 E376 E382 K383 | R375-Q379 WeakPolarHBondContact O-CG 3.34Å; R375-Q379 PolarHBondContact O-N 2.96Å; R375-Q379 PolarHBondContact O-OE1 3.45Å; E376-Q379 PolarHBondContact O-N 2.98Å; Q379-E382 PolarHBondContact O-N 2.87Å; Q379-K383 PolarHBondContact O-N 2.86Å |
| 380 | L | 91.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.6 | -34.7 | 179.5 | -60.9 | 179.8 | 0 | 0 | 0 | 112.3 | L106 L109 R110 L113 E376 T378 L384 | L106-L380 HydrophobicContact CD2-CD1 3.74Å; L109-L380 HydrophobicContact CB-CB 4.29Å; L109-L380 HydrophobicContact CB-CD1 4.4Å; R110-L380 HydrophobicContact CG-CD1 3.64Å; L113-L380 HydrophobicContact CD1-CB 3.95Å; L113-L380 HydrophobicContact CD1-CD2 3.51Å; L113-L380 HydrophobicContact CD1-CG 4.21Å; E376-L380 HydrophobicContact CG-CD1 4.03Å; E376-L380 HydrophobicContact CG-CG 4.11Å; E376-L380 VanDerWaalsContact O-CG 3.31Å; E376-L380 WeakPolarHBondContact O-CG 3.44Å; E376-L380 PolarHBondContact O-N 3.45Å; T378-L380 PolarHBondContact O-N 3.38Å; L380-L384 WeakPolarHBondContact O-CB 3.31Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 3.36Å |
| 381 | K | 92.8 | Very high | 92.3 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 172.7 | -74.8 | 172.5 | -174.8 | -179 | 0 | 111.8 | E105 L109 L377 T378 L384 R385 | E105-K381 WeakPolarHBondContact OE1-CE 3.31Å; E105-K381 IonicContact OE1-NZ 3.88Å; E105-K381 PolarHBondContact OE1-NZ 3.3Å; L109-K381 HydrophobicContact CD1-CD 4.5Å; L109-K381 HydrophobicContact CD1-CG 3.88Å; L377-K381 VanDerWaalsContact O-CB 3.32Å; L377-K381 WeakPolarHBondContact O-CB 3.44Å; L377-K381 WeakPolarHBondContact O-CD 3.47Å; L377-K381 WeakPolarHBondContact O-CG 3.34Å; L377-K381 PolarHBondContact O-N 3.28Å; L377-K381 VanDerWaalsContact O-N 3.11Å; T378-K381 PolarHBondContact O-N 2.88Å; K381-L384 PolarHBondContact O-N 3.19Å; K381-R385 PolarHBondContact O-N 2.66Å |
| 382 | E | 91.8 | Very high | 92.5 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 174.6 | -172.2 | 130.6 | -105.8 | 0 | 0 | 111.3 | T378 Q379 L384 R385 E386 | T378-E382 WeakPolarHBondContact O-CB 3.41Å; T378-E382 PolarHBondContact O-N 3.06Å; Q379-E382 PolarHBondContact O-N 2.87Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 3.1Å; E382-R385 WeakPolarHBondContact O-CB 3.32Å; E382-R385 PolarHBondContact O-N 3.06Å; E382-R385 VanDerWaalsContact O-N 3.16Å; E382-R385 IonicContact OE1-CZ 2.84Å; E382-R385 VanDerWaalsContact OE1-CZ 3.25Å; E382-R385 IonicContact OE1-NH1 4Å; E382-R385 PolarHBondContact OE1-NH1 3.34Å; E382-R385 IonicContact OE1-NH2 2.91Å; E382-R385 PolarHBondContact OE1-NH2 2.84Å; E382-E386 WeakPolarHBondContact O-CG 3.37Å; E382-E386 PolarHBondContact O-N 3.02Å |
| 383 | K | 92.2 | Very high | 92.5 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 14% | 0.143 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -36.7 | 174.7 | -73.4 | -171 | 176.4 | -178.5 | 0 | 113.7 | L113 E165 Q379 G387 | L113-K383 HydrophobicContact CD2-CB 3.97Å; E165-K383 VanDerWaalsContact CG-NZ 3.32Å; E165-K383 VanDerWaalsContact N-NZ 3.19Å; E165-K383 IonicContact OE1-NZ 3.68Å; E165-K383 WeakPolarHBondContact OE2-CE 3.47Å; E165-K383 IonicContact OE2-NZ 2.76Å; E165-K383 PolarHBondContact OE2-NZ 3.29Å; Q379-K383 PolarHBondContact O-N 2.86Å; K383-G387 PolarHBondContact O-N 3.08Å |
| 384 | L | 92.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 173.5 | -78.5 | 166.9 | 0 | 0 | 0 | 112.3 | L109 K112 L113 L380 K381 E382 R388 L433 | L109-L384 HydrophobicContact CB-CD1 4.02Å; L109-L384 HydrophobicContact CD2-CD1 3.45Å; L109-L384 VanDerWaalsContact CD2-CD1 3.45Å; L109-L384 HydrophobicContact CG-CD1 4.28Å; K112-L384 HydrophobicContact CB-CD2 4Å; L113-L384 HydrophobicContact CD1-CG 4.41Å; L113-L384 HydrophobicContact CD2-CD2 3.68Å; L113-L384 HydrophobicContact CD2-CG 3.7Å; L113-L384 HydrophobicContact CG-CD1 4.37Å; L113-L384 HydrophobicContact CG-CD2 3.73Å; L113-L384 HydrophobicContact CG-CG 3.73Å; L380-L384 WeakPolarHBondContact O-CB 3.31Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 3.36Å; K381-L384 PolarHBondContact O-N 3.19Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 3.1Å; L384-R388 VanDerWaalsContact O-CB 3.31Å; L384-R388 WeakPolarHBondContact O-CB 3.35Å; L384-R388 PolarHBondContact O-N 2.9Å; L384-L433 HydrophobicContact CD2-CD2 3.63Å |
| 385 | R | 92.4 | Very high | 92.5 | Very high | 108 Ų | 108 | 54 Ų | 54 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.1 | -54.4 | 174 | -173.9 | -167.6 | 71.3 | -137.7 | -7.8 | 110.3 | K381 E382 G387 R388 D389 | K381-R385 PolarHBondContact O-N 2.66Å; E382-R385 WeakPolarHBondContact O-CB 3.32Å; E382-R385 PolarHBondContact O-N 3.06Å; E382-R385 VanDerWaalsContact O-N 3.16Å; E382-R385 IonicContact OE1-CZ 2.84Å; E382-R385 VanDerWaalsContact OE1-CZ 3.25Å; E382-R385 IonicContact OE1-NH1 4Å; E382-R385 PolarHBondContact OE1-NH1 3.34Å; E382-R385 IonicContact OE1-NH2 2.91Å; E382-R385 PolarHBondContact OE1-NH2 2.84Å; R385-G387 VanDerWaalsContact C-N 3.34Å; R385-G387 PolarHBondContact O-N 3.08Å; R385-R388 WeakPolarHBondContact O-CB 3.31Å; R385-R388 PolarHBondContact O-N 3.41Å; R385-R388 VanDerWaalsContact O-N 3.1Å; R385-D389 VanDerWaalsContact O-CG 3.3Å; R385-D389 PolarHBondContact O-N 3.49Å |
| 386 | E | 91.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 29% | 0.285 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.2 | -32.7 | -175.8 | -67.8 | -172.2 | -163.1 | 0 | 0 | 113.6 | K161 E382 A390 | K161-E386 HydrophobicContact CD-CB 4.49Å; K161-E386 WeakPolarHBondContact CE-OE2 3.38Å; K161-E386 IonicContact NZ-OE2 2.85Å; K161-E386 PolarHBondContact NZ-OE2 3.09Å; E382-E386 WeakPolarHBondContact O-CG 3.37Å; E382-E386 PolarHBondContact O-N 3.02Å; E386-A390 WeakPolarHBondContact O-CB 3.02Å; E386-A390 PolarHBondContact O-N 3.48Å |
| 387 | G | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L158 K383 R385 D389 A390 S391 | L158-G387 WeakPolarHBondContact CD1-O 3.42Å; K383-G387 PolarHBondContact O-N 3.08Å; R385-G387 VanDerWaalsContact C-N 3.34Å; R385-G387 PolarHBondContact O-N 3.08Å; G387-D389 VanDerWaalsContact C-N 3.33Å; G387-D389 PolarHBondContact O-N 3.31Å; G387-A390 PolarHBondContact O-N 3.49Å; G387-S391 WeakPolarHBondContact O-CB 3.42Å; G387-S391 PolarHBondContact O-N 2.89Å; G387-S391 PolarHBondContact O-OG 2.86Å |
| 388 | R | 93.5 | Very high | 92.3 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 18% | 0.181 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 175.3 | -169.7 | -165.7 | -50.3 | 158.4 | 6.1 | 111.6 | L384 R385 S391 R392 V430 L433 | L384-R388 VanDerWaalsContact O-CB 3.31Å; L384-R388 WeakPolarHBondContact O-CB 3.35Å; L384-R388 PolarHBondContact O-N 2.9Å; R385-R388 WeakPolarHBondContact O-CB 3.31Å; R385-R388 PolarHBondContact O-N 3.41Å; R385-R388 VanDerWaalsContact O-N 3.1Å; R388-S391 WeakPolarHBondContact O-CB 3.36Å; R388-S391 PolarHBondContact O-N 3.43Å; R388-R392 PolarHBondContact O-N 3.35Å; R388-V430 HydrophobicContact CG-CG1 4.04Å; R388-L433 HydrophobicContact CB-CB 3.91Å; R388-L433 HydrophobicContact CG-CB 4.28Å; R388-L433 PolarHBondContact NE-O 2.91Å; R388-L433 PolarHBondContact NH2-O 3.21Å |
| 389 | D | 92.2 | Very high | 92.2 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68 | -45.2 | 179.9 | -66.1 | -35.1 | 0 | 0 | 0 | 111.7 | R385 G387 S391 R392 S393 | R385-D389 VanDerWaalsContact O-CG 3.3Å; R385-D389 PolarHBondContact O-N 3.49Å; G387-D389 VanDerWaalsContact C-N 3.33Å; G387-D389 PolarHBondContact O-N 3.31Å; D389-S391 VanDerWaalsContact C-N 3.3Å; D389-S391 PolarHBondContact O-N 2.96Å; D389-R392 WeakPolarHBondContact O-CB 3.43Å; D389-R392 PolarHBondContact O-N 2.97Å; D389-R392 VanDerWaalsContact O-N 3.11Å; D389-R392 IonicContact OD1-CZ 2.68Å; D389-R392 IonicContact OD1-NH1 2.67Å; D389-R392 PolarHBondContact OD1-NH1 3.4Å; D389-R392 IonicContact OD1-NH2 2.97Å; D389-R392 PolarHBondContact OD1-NH2 2.9Å; D389-S393 PolarHBondContact O-N 3.15Å; D389-S393 PolarHBondContact O-OG 3.36Å |
| 390 | A | 92.6 | Very high | 91.9 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -34.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L158 E386 G387 R392 S393 L394 | L158-A390 HydrophobicContact CD1-CB 3.98Å; E386-A390 WeakPolarHBondContact O-CB 3.02Å; E386-A390 PolarHBondContact O-N 3.48Å; G387-A390 PolarHBondContact O-N 3.49Å; A390-R392 VanDerWaalsContact C-N 3.32Å; A390-S393 PolarHBondContact O-N 3.21Å; A390-L394 WeakPolarHBondContact O-CB 3.46Å; A390-L394 PolarHBondContact O-N 2.96Å |
| 391 | S | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 172.5 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | L158 G387 R388 D389 N395 L433 | L158-S391 WeakPolarHBondContact CD2-OG 3.46Å; G387-S391 WeakPolarHBondContact O-CB 3.42Å; G387-S391 PolarHBondContact O-N 2.89Å; G387-S391 PolarHBondContact O-OG 2.86Å; R388-S391 WeakPolarHBondContact O-CB 3.36Å; R388-S391 PolarHBondContact O-N 3.43Å; D389-S391 VanDerWaalsContact C-N 3.3Å; D389-S391 PolarHBondContact O-N 2.96Å; S391-N395 VanDerWaalsContact O-CB 3.31Å; S391-N395 WeakPolarHBondContact O-CB 3.47Å; S391-N395 PolarHBondContact O-N 2.99Å; S391-L433 WeakPolarHBondContact OG-CD1 3.22Å |
| 392 | R | 92.9 | Very high | 90.8 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 36% | 0.362 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.3 | -46.4 | 174.8 | -159.6 | -167 | -59.2 | 97.8 | 4 | 110.8 | R388 D389 A390 L394 N395 E396 V430 | R388-R392 PolarHBondContact O-N 3.35Å; D389-R392 WeakPolarHBondContact O-CB 3.43Å; D389-R392 PolarHBondContact O-N 2.97Å; D389-R392 VanDerWaalsContact O-N 3.11Å; D389-R392 IonicContact OD1-CZ 2.68Å; D389-R392 IonicContact OD1-NH1 2.67Å; D389-R392 PolarHBondContact OD1-NH1 3.4Å; D389-R392 IonicContact OD1-NH2 2.97Å; D389-R392 PolarHBondContact OD1-NH2 2.9Å; A390-R392 VanDerWaalsContact C-N 3.32Å; R392-L394 PolarHBondContact O-N 2.81Å; R392-N395 WeakPolarHBondContact O-CB 3.44Å; R392-N395 PolarHBondContact O-N 3.4Å; R392-E396 WeakPolarHBondContact CD-OE1 3.31Å; R392-E396 WeakPolarHBondContact CG-OE1 3.45Å; R392-E396 WeakPolarHBondContact O-CG 3.32Å; R392-E396 PolarHBondContact O-N 2.97Å; R392-V430 HydrophobicContact CB-CG2 4.28Å |
| 393 | S | 93.1 | Very high | 89.8 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62 | -39.6 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | D389 A390 E396 H397 | D389-S393 PolarHBondContact O-N 3.15Å; D389-S393 PolarHBondContact O-OG 3.36Å; A390-S393 PolarHBondContact O-N 3.21Å; S393-E396 PolarHBondContact O-N 2.84Å; S393-H397 WeakPolarHBondContact O-CB 3.42Å; S393-H397 PolarHBondContact O-N 3.11Å |
| 394 | L | 92.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 173.3 | 175.3 | 56.4 | 0 | 0 | 0 | 111.9 | L123 L127 L154 A155 L158 A390 R392 H397 L398 | L123-L394 HydrophobicContact CD2-CD2 3.56Å; L123-L394 HydrophobicContact CD2-CG 4.36Å; L123-L394 HydrophobicContact CG-CD2 4.36Å; L127-L394 HydrophobicContact CD1-CD1 4.4Å; L154-L394 HydrophobicContact CB-CD1 3.96Å; L154-L394 HydrophobicContact CD1-CD1 4.38Å; A155-L394 HydrophobicContact CB-CD2 3.9Å; L158-L394 HydrophobicContact CD2-CD2 4.44Å; A390-L394 WeakPolarHBondContact O-CB 3.46Å; A390-L394 PolarHBondContact O-N 2.96Å; R392-L394 PolarHBondContact O-N 2.81Å; L394-H397 WeakPolarHBondContact O-CB 3.29Å; L394-H397 PolarHBondContact O-N 3.42Å; L394-L398 HydrophobicContact CD1-CD1 4.07Å; L394-L398 HydrophobicContact CD1-CG 4.08Å; L394-L398 HydrophobicContact CG-CD1 4.24Å; L394-L398 VanDerWaalsContact O-CG 3.31Å; L394-L398 WeakPolarHBondContact O-CG 3.45Å; L394-L398 PolarHBondContact O-N 3.32Å |
| 395 | N | 92.4 | Very high | 86.4 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 174.2 | 175.5 | 38.4 | 0 | 0 | 0 | 112.3 | S391 R392 Q399 A426 Q427 | S391-N395 VanDerWaalsContact O-CB 3.31Å; S391-N395 WeakPolarHBondContact O-CB 3.47Å; S391-N395 PolarHBondContact O-N 2.99Å; R392-N395 WeakPolarHBondContact O-CB 3.44Å; R392-N395 PolarHBondContact O-N 3.4Å; N395-Q399 PolarHBondContact ND2-NE2 3.39Å; N395-Q399 VanDerWaalsContact ND2-NE2 3.17Å; N395-Q399 WeakPolarHBondContact O-CB 3.41Å; N395-Q399 VanDerWaalsContact O-CG 3.28Å; N395-Q399 WeakPolarHBondContact O-CG 3.39Å; N395-Q399 PolarHBondContact O-N 3.07Å; N395-Q399 PolarHBondContact OD1-NE2 3.32Å; N395-A426 HydrophobicContact CB-CB 3.77Å; N395-Q427 WeakPolarHBondContact ND2-CG 3.49Å; N395-Q427 VanDerWaalsContact OD1-CG 3.32Å; N395-Q427 WeakPolarHBondContact OD1-CG 3.46Å; N395-Q427 PolarHBondContact OD1-NE2 2.71Å |
| 396 | E | 91.9 | Very high | 84.4 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.5 | -72.9 | 163 | -162.1 | 0 | 0 | 111.8 | R392 S393 Q399 A400 | R392-E396 WeakPolarHBondContact CD-OE1 3.31Å; R392-E396 WeakPolarHBondContact CG-OE1 3.45Å; R392-E396 WeakPolarHBondContact O-CG 3.32Å; R392-E396 PolarHBondContact O-N 2.97Å; S393-E396 PolarHBondContact O-N 2.84Å; E396-Q399 PolarHBondContact O-N 2.73Å; E396-A400 PolarHBondContact O-N 2.81Å |
| 397 | H | 91.7 | Very high | 82.7 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 174.7 | -173.5 | 80.5 | 0 | 0 | 0 | 112.3 | Q147 E150 L154 S393 L394 Q399 A400 L401 | Q147-H397 PolarHBondContact O-NE2 3.4Å; Q147-H397 PolarHBondContact OE1-CE1 3.48Å; Q147-H397 VanDerWaalsContact OE1-CE1 3.28Å; E150-H397 IonicContact OE2-CE1 2.73Å; L154-H397 HydrophobicContact CD1-CB 4.34Å; S393-H397 WeakPolarHBondContact O-CB 3.42Å; S393-H397 PolarHBondContact O-N 3.11Å; L394-H397 WeakPolarHBondContact O-CB 3.29Å; L394-H397 PolarHBondContact O-N 3.42Å; H397-Q399 VanDerWaalsContact C-N 3.29Å; H397-Q399 PolarHBondContact O-N 3.48Å; H397-A400 WeakPolarHBondContact O-CB 3.5Å; H397-A400 PolarHBondContact O-N 3.17Å; H397-L401 PolarHBondContact O-N 3.38Å |
| 398 | L | 89.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 178.1 | -62.3 | 172.9 | 0 | 0 | 0 | 112.2 | L123 L127 L394 L401 L402 L419 C423 A426 | L123-L398 HydrophobicContact CD1-CD1 4.4Å; L127-L398 HydrophobicContact CD1-CD1 4.3Å; L127-L398 HydrophobicContact CD1-CD2 4.19Å; L127-L398 HydrophobicContact CD2-CD1 4.25Å; L127-L398 HydrophobicContact CD2-CD2 3.62Å; L394-L398 HydrophobicContact CD1-CD1 4.07Å; L394-L398 HydrophobicContact CD1-CG 4.08Å; L394-L398 HydrophobicContact CG-CD1 4.24Å; L394-L398 VanDerWaalsContact O-CG 3.31Å; L394-L398 WeakPolarHBondContact O-CG 3.45Å; L394-L398 PolarHBondContact O-N 3.32Å; L398-L401 PolarHBondContact O-N 3.28Å; L398-L402 PolarHBondContact O-N 2.84Å; L398-L419 HydrophobicContact CD2-CD1 3.94Å; L398-C423 VanDerWaalsContact C-SG 3.53Å; L398-C423 WeakPolarHBondContact CB-SG 3.3Å; L398-A426 HydrophobicContact CD1-CB 4.25Å |
| 399 | Q | 89.3 | Confident | 79.2 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 40% | 0.402 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.3 | -33.8 | 172.9 | -78 | 177.3 | 55.3 | 0 | 0 | 113.5 | N395 E396 H397 L401 L402 | N395-Q399 PolarHBondContact ND2-NE2 3.39Å; N395-Q399 VanDerWaalsContact ND2-NE2 3.17Å; N395-Q399 WeakPolarHBondContact O-CB 3.41Å; N395-Q399 VanDerWaalsContact O-CG 3.28Å; N395-Q399 WeakPolarHBondContact O-CG 3.39Å; N395-Q399 PolarHBondContact O-N 3.07Å; N395-Q399 PolarHBondContact OD1-NE2 3.32Å; E396-Q399 PolarHBondContact O-N 2.73Å; H397-Q399 VanDerWaalsContact C-N 3.29Å; H397-Q399 PolarHBondContact O-N 3.48Å; Q399-L401 PolarHBondContact O-N 3.42Å; Q399-L402 PolarHBondContact O-N 3.18Å; Q399-L402 VanDerWaalsContact O-N 3.16Å |
| 400 | A | 87.3 | Confident | 77.7 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E396 H397 L402 T403 | E396-A400 PolarHBondContact O-N 2.81Å; H397-A400 WeakPolarHBondContact O-CB 3.5Å; H397-A400 PolarHBondContact O-N 3.17Å; A400-L402 VanDerWaalsContact C-N 3.29Å; A400-L402 PolarHBondContact O-N 2.75Å; A400-T403 WeakPolarHBondContact O-CB 3.45Å; A400-T403 VanDerWaalsContact O-CG2 3.28Å; A400-T403 WeakPolarHBondContact O-CG2 3.28Å; A400-T403 PolarHBondContact O-N 3.23Å; A400-T403 PolarHBondContact O-OG1 3.43Å |
| 401 | L | 82.4 | Confident | 76.1 | Confident | 35 Ų | 35 | 80.7 Ų | 80.7 | 18% | 0.183 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -72.4 | -18 | 176.4 | -61.2 | 171.3 | 0 | 0 | 0 | 113.8 | Q147 H397 L398 Q399 T403 L419 | Q147-L401 HydrophobicContact CB-CD1 4.05Å; Q147-L401 HydrophobicContact CB-CD2 3.48Å; Q147-L401 VanDerWaalsContact CB-CD2 3.48Å; Q147-L401 HydrophobicContact CB-CG 4.35Å; Q147-L401 HydrophobicContact CG-CD2 4.05Å; H397-L401 PolarHBondContact O-N 3.38Å; L398-L401 PolarHBondContact O-N 3.28Å; Q399-L401 PolarHBondContact O-N 3.42Å; L401-T403 VanDerWaalsContact C-N 3.26Å; L401-T403 PolarHBondContact O-N 2.96Å; L401-L419 HydrophobicContact CB-CD1 4.37Å; L401-L419 HydrophobicContact CB-CD2 3.65Å; L401-L419 WeakPolarHBondContact O-CD2 3.45Å |
| 402 | L | 77.7 | Confident | 74.8 | Confident | 46 Ų | 46 | 82.1 Ų | 82.1 | 24% | 0.241 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 0.9 | 170.9 | -78.5 | 176.8 | 0 | 0 | 0 | 114.1 | L398 Q399 A400 Q416 L419 A420 C423 | L398-L402 PolarHBondContact O-N 2.84Å; Q399-L402 PolarHBondContact O-N 3.18Å; Q399-L402 VanDerWaalsContact O-N 3.16Å; A400-L402 VanDerWaalsContact C-N 3.29Å; A400-L402 PolarHBondContact O-N 2.75Å; L402-Q416 HydrophobicContact CD2-CG 4.09Å; L402-L419 HydrophobicContact CD2-CB 4.12Å; L402-L419 HydrophobicContact CD2-CD2 3.89Å; L402-L419 HydrophobicContact CD2-CG 3.97Å; L402-L419 HydrophobicContact CG-CD2 4.04Å; L402-L419 HydrophobicContact CG-CG 4.1Å; L402-A420 HydrophobicContact CD1-CB 4.31Å; L402-A420 HydrophobicContact CD2-CB 4.14Å; L402-C423 HydrophobicContact CD1-CB 4.19Å; L402-C423 WeakPolarHBondContact CD1-SG 3.47Å |
| 403 | T | 70.8 | Confident | 73.7 | Confident | 100 Ų | 100 | 83 Ų | 83 | 61% | 0.613 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -59.3 | 135.3 | 180 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | A400 L401 Y405 | A400-T403 WeakPolarHBondContact O-CB 3.45Å; A400-T403 VanDerWaalsContact O-CG2 3.28Å; A400-T403 WeakPolarHBondContact O-CG2 3.28Å; A400-T403 PolarHBondContact O-N 3.23Å; A400-T403 PolarHBondContact O-OG1 3.43Å; L401-T403 VanDerWaalsContact C-N 3.26Å; L401-T403 PolarHBondContact O-N 2.96Å; T403-Y405 PolarHBondContact O-N 3.38Å |
| 404 | P | 57.3 | Low | 73 | Confident | 121 Ų | 121 | 85 Ų | 85 | 79% | 0.786 | 45% | 0.451 | S | S | * | . | trans | -78.8 | 87.4 | -160.8 | 30.6 | -37.1 | 0 | 0 | 0 | 113 | ||||
| 405 | Y | 55.7 | Low | 72.3 | Confident | 172 Ų | 172 | 88 Ų | 88 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | trans | -74.6 | 138.1 | 155.9 | -135.6 | -86.8 | 0 | 0 | 0 | 109.1 | Q140 T403 P407 | Q140-Y405 VanDerWaalsContact NE2-CE1 3.3Å; Q140-Y405 VanDerWaalsContact NE2-CZ 3.26Å; T403-Y405 PolarHBondContact O-N 3.38Å; Y405-P407 VanDerWaalsContact O-CD 3.22Å; Y405-P407 WeakPolarHBondContact O-CD 3.39Å | ||
| 406 | E | 51.2 | Low | 71.8 | Confident | 172 Ų | 172 | 90.6 Ų | 90.6 | 80% | 0.804 | 48% | 0.478 | S | S | * | . | trans | -66.3 | 116.7 | 177.9 | -69.5 | -173.6 | 123.9 | 0 | 0 | 110.3 | D408 | E406-D408 PolarHBondContact O-N 3.33Å; E406-D408 VanDerWaalsContact O-N 3.13Å | ||
| 407 | P | 55.7 | Low | 71.5 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 37% | 0.37 | 48% | 0.482 | S | S | . | . | trans | -86.4 | 91 | -175.2 | 33.1 | -30.9 | 0 | 0 | 0 | 110.2 | Y405 K409 Q413 | Y405-P407 VanDerWaalsContact O-CD 3.22Å; Y405-P407 WeakPolarHBondContact O-CD 3.39Å; P407-K409 PolarHBondContact O-N 3Å; P407-Q413 HydrophobicContact CB-CG 4.35Å; P407-Q413 HydrophobicContact CG-CG 4.11Å | ||
| 408 | D | 52.8 | Low | 71.2 | Confident | 162 Ų | 162 | 92.8 Ų | 92.8 | 87% | 0.866 | 49% | 0.488 | S | S | * | . | trans | -54.6 | -4 | 178.8 | -90.9 | -23.8 | 0 | 0 | 0 | 115.9 | E406 | E406-D408 PolarHBondContact O-N 3.33Å; E406-D408 VanDerWaalsContact O-N 3.13Å | ||
| 409 | K | 60.4 | Low | 71.1 | Confident | 141 Ų | 141 | 93.2 Ų | 93.2 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -146.9 | 147.2 | -174.7 | -60.8 | -177.2 | -178.9 | -178.7 | 0 | 111.6 | P407 Q411 G412 | P407-K409 PolarHBondContact O-N 3Å; K409-Q411 PolarHBondContact O-N 3.42Å; K409-G412 PolarHBondContact O-N 3.43Å |
| 410 | S | 61.3 | Low | 71.1 | Confident | 92 Ų | 92 | 90.4 Ų | 90.4 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56.9 | -32.1 | 173.9 | 54 | 0 | 0 | 0 | 0 | 114 | G412 Q413 D414 | S410-G412 PolarHBondContact O-N 3.39Å; S410-Q413 WeakPolarHBondContact O-CB 3.27Å; S410-Q413 PolarHBondContact O-N 3.35Å; S410-D414 PolarHBondContact O-N 3.26Å |
| 411 | Q | 58.8 | Low | 71.2 | Confident | 139 Ų | 139 | 90.9 Ų | 90.9 | 65% | 0.65 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.9 | -28.8 | 174.7 | -170.8 | 179.3 | 7.4 | 0 | 0 | 112.9 | K409 L415 | K409-Q411 PolarHBondContact O-N 3.42Å; Q411-L415 PolarHBondContact O-N 2.92Å |
| 412 | G | 66.6 | Low | 71.6 | Confident | 30 Ų | 30 | 89.2 Ų | 89.2 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76 | -25.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K409 S410 Q416 | K409-G412 PolarHBondContact O-N 3.43Å; S410-G412 PolarHBondContact O-N 3.39Å; G412-Q416 VanDerWaalsContact O-CB 3.26Å; G412-Q416 WeakPolarHBondContact O-CB 3.32Å; G412-Q416 PolarHBondContact O-N 3.46Å; G412-Q416 VanDerWaalsContact O-N 3.07Å |
| 413 | Q | 69.2 | Low | 72.2 | Confident | 113 Ų | 113 | 87.3 Ų | 87.3 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75.3 | -40.7 | 178.1 | -59.7 | -179.9 | -51.7 | 0 | 0 | 111.2 | P407 S410 Q416 E417 | P407-Q413 HydrophobicContact CB-CG 4.35Å; P407-Q413 HydrophobicContact CG-CG 4.11Å; S410-Q413 WeakPolarHBondContact O-CB 3.27Å; S410-Q413 PolarHBondContact O-N 3.35Å; Q413-Q416 PolarHBondContact O-N 3.42Å; Q413-E417 PolarHBondContact O-N 3.4Å |
| 414 | D | 78.3 | Confident | 73.2 | Confident | 109 Ų | 109 | 88 Ų | 88 | 58% | 0.583 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.3 | -49.8 | 174.8 | -170.6 | 58.9 | 0 | 0 | 0 | 111.5 | S410 Q416 E417 Q418 | S410-D414 PolarHBondContact O-N 3.26Å; D414-Q416 VanDerWaalsContact C-N 3.31Å; D414-Q416 PolarHBondContact O-N 3.4Å; D414-E417 PolarHBondContact O-N 3.26Å; D414-Q418 WeakPolarHBondContact O-CG 3.46Å; D414-Q418 PolarHBondContact O-N 3.07Å |
| 415 | L | 78.7 | Confident | 74.8 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 174.4 | -174.7 | 148.3 | 0 | 0 | 0 | 112.3 | L144 Q411 Q418 L419 | L144-L415 HydrophobicContact CD1-CD2 4.49Å; L144-L415 HydrophobicContact CD2-CD1 4.48Å; L144-L415 HydrophobicContact CD2-CD2 4.32Å; Q411-L415 PolarHBondContact O-N 2.92Å; L415-Q418 PolarHBondContact O-N 3.28Å; L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 PolarHBondContact O-N 2.86Å |
| 416 | Q | 80.8 | Confident | 76.6 | Confident | 72 Ų | 72 | 77 Ų | 77 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 176.2 | -171.9 | 175.8 | 25.8 | 0 | 0 | 112.3 | L402 G412 Q413 D414 A420 | L402-Q416 HydrophobicContact CD2-CG 4.09Å; G412-Q416 VanDerWaalsContact O-CB 3.26Å; G412-Q416 WeakPolarHBondContact O-CB 3.32Å; G412-Q416 PolarHBondContact O-N 3.46Å; G412-Q416 VanDerWaalsContact O-N 3.07Å; Q413-Q416 PolarHBondContact O-N 3.42Å; D414-Q416 VanDerWaalsContact C-N 3.31Å; D414-Q416 PolarHBondContact O-N 3.4Å; Q416-A420 WeakPolarHBondContact O-CB 3.47Å; Q416-A420 PolarHBondContact O-N 3.44Å |
| 417 | E | 85.6 | Confident | 78.4 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 59% | 0.593 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.6 | -40.5 | 175.1 | -177.6 | 161.3 | -166.5 | 0 | 0 | 111.6 | Q413 D414 A420 E421 | Q413-E417 PolarHBondContact O-N 3.4Å; D414-E417 PolarHBondContact O-N 3.26Å; E417-A420 WeakPolarHBondContact O-CB 3.44Å; E417-A420 PolarHBondContact O-N 3.43Å; E417-E421 PolarHBondContact O-N 3.37Å |
| 418 | Q | 86.8 | Confident | 80.1 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.6 | -35.4 | 174.6 | -69.8 | -64.1 | -70.9 | 0 | 0 | 113.4 | H126 L130 D414 L415 A420 E421 G422 | H126-Q418 PolarHBondContact CE1-OE1 2.85Å; H126-Q418 PolarHBondContact NE2-O 3.36Å; L130-Q418 HydrophobicContact CD1-CB 4Å; L130-Q418 HydrophobicContact CD2-CB 3.54Å; L130-Q418 HydrophobicContact CD2-CG 4.02Å; L130-Q418 HydrophobicContact CG-CB 4.38Å; D414-Q418 WeakPolarHBondContact O-CG 3.46Å; D414-Q418 PolarHBondContact O-N 3.07Å; L415-Q418 PolarHBondContact O-N 3.28Å; Q418-A420 VanDerWaalsContact C-N 3.34Å; Q418-E421 PolarHBondContact NE2-OE2 3.46Å; Q418-E421 VanDerWaalsContact O-CB 3.3Å; Q418-E421 WeakPolarHBondContact O-CB 3.3Å; Q418-E421 PolarHBondContact O-N 2.95Å; Q418-G422 PolarHBondContact O-N 2.96Å |
| 419 | L | 86.6 | Confident | 82 | Confident | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68 | -36.2 | 172.1 | -175.6 | 66.2 | 0 | 0 | 0 | 111.4 | L398 L401 L402 L415 E421 G422 C423 | L398-L419 HydrophobicContact CD2-CD1 3.94Å; L401-L419 HydrophobicContact CB-CD1 4.37Å; L401-L419 HydrophobicContact CB-CD2 3.65Å; L401-L419 WeakPolarHBondContact O-CD2 3.45Å; L402-L419 HydrophobicContact CD2-CB 4.12Å; L402-L419 HydrophobicContact CD2-CD2 3.89Å; L402-L419 HydrophobicContact CD2-CG 3.97Å; L402-L419 HydrophobicContact CG-CD2 4.04Å; L402-L419 HydrophobicContact CG-CG 4.1Å; L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 PolarHBondContact O-N 2.86Å; L419-E421 VanDerWaalsContact C-N 3.29Å; L419-E421 PolarHBondContact O-N 3.21Å; L419-G422 PolarHBondContact O-N 2.99Å; L419-C423 PolarHBondContact O-N 3.4Å; L419-C423 PolarHBondContact O-SG 3.26Å |
| 420 | A | 88.5 | Confident | 83.5 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.6 | -30 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L402 Q416 E417 Q418 C423 R424 | L402-A420 HydrophobicContact CD1-CB 4.31Å; L402-A420 HydrophobicContact CD2-CB 4.14Å; Q416-A420 WeakPolarHBondContact O-CB 3.47Å; Q416-A420 PolarHBondContact O-N 3.44Å; E417-A420 WeakPolarHBondContact O-CB 3.44Å; E417-A420 PolarHBondContact O-N 3.43Å; Q418-A420 VanDerWaalsContact C-N 3.34Å; A420-C423 PolarHBondContact O-N 3.19Å; A420-R424 WeakPolarHBondContact O-CG 3.48Å; A420-R424 PolarHBondContact O-N 2.92Å; A420-R424 PolarHBondContact O-NH1 2.91Å |
| 421 | E | 89.9 | Confident | 84.8 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -46 | 168.7 | -168.8 | 126.7 | -106.9 | 0 | 0 | 111.9 | E417 Q418 L419 C423 R424 L425 | E417-E421 PolarHBondContact O-N 3.37Å; Q418-E421 PolarHBondContact NE2-OE2 3.46Å; Q418-E421 VanDerWaalsContact O-CB 3.3Å; Q418-E421 WeakPolarHBondContact O-CB 3.3Å; Q418-E421 PolarHBondContact O-N 2.95Å; L419-E421 VanDerWaalsContact C-N 3.29Å; L419-E421 PolarHBondContact O-N 3.21Å; E421-C423 VanDerWaalsContact C-N 3.25Å; E421-C423 PolarHBondContact O-N 3.09Å; E421-R424 VanDerWaalsContact CA-CZ 3.48Å; E421-R424 WeakPolarHBondContact O-CB 3.3Å; E421-R424 PolarHBondContact O-N 3.28Å; E421-R424 IonicContact OE1-CZ 3.93Å; E421-R424 IonicContact OE1-NE 2.81Å; E421-R424 IonicContact OE1-NH2 3.78Å; E421-R424 PolarHBondContact OE1-NH2 3.47Å; E421-R424 IonicContact OE2-NH2 3Å; E421-L425 HydrophobicContact CG-CD1 4.33Å; E421-L425 WeakPolarHBondContact O-CG 3.39Å; E421-L425 PolarHBondContact O-N 3.33Å |
| 422 | G | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.8 | -40.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q418 L419 L425 A426 | Q418-G422 PolarHBondContact O-N 2.96Å; L419-G422 PolarHBondContact O-N 2.99Å; G422-L425 PolarHBondContact O-N 3.31Å; G422-A426 WeakPolarHBondContact O-CB 3.38Å; G422-A426 PolarHBondContact O-N 3.41Å |
| 423 | C | 89.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 173.6 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | L398 L402 L419 A420 E421 L425 A426 Q427 | L398-C423 VanDerWaalsContact C-SG 3.53Å; L398-C423 WeakPolarHBondContact CB-SG 3.3Å; L402-C423 HydrophobicContact CD1-CB 4.19Å; L402-C423 WeakPolarHBondContact CD1-SG 3.47Å; L419-C423 PolarHBondContact O-N 3.4Å; L419-C423 PolarHBondContact O-SG 3.26Å; A420-C423 PolarHBondContact O-N 3.19Å; E421-C423 VanDerWaalsContact C-N 3.25Å; E421-C423 PolarHBondContact O-N 3.09Å; C423-L425 VanDerWaalsContact C-N 3.32Å; C423-L425 PolarHBondContact O-N 3.06Å; C423-A426 PolarHBondContact O-N 3.49Å; C423-Q427 WeakPolarHBondContact O-CB 3.34Å; C423-Q427 VanDerWaalsContact O-CG 3.27Å; C423-Q427 WeakPolarHBondContact O-CG 3.28Å; C423-Q427 PolarHBondContact O-N 2.97Å |
| 424 | R | 91.9 | Very high | 88.1 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.4 | -70.6 | -175.2 | -59 | -95.2 | 16.6 | 111.3 | A420 E421 Q427 H428 | A420-R424 WeakPolarHBondContact O-CG 3.48Å; A420-R424 PolarHBondContact O-N 2.92Å; A420-R424 PolarHBondContact O-NH1 2.91Å; E421-R424 VanDerWaalsContact CA-CZ 3.48Å; E421-R424 WeakPolarHBondContact O-CB 3.3Å; E421-R424 PolarHBondContact O-N 3.28Å; E421-R424 IonicContact OE1-CZ 3.93Å; E421-R424 IonicContact OE1-NE 2.81Å; E421-R424 IonicContact OE1-NH2 3.78Å; E421-R424 PolarHBondContact OE1-NH2 3.47Å; E421-R424 IonicContact OE2-NH2 3Å; R424-Q427 PolarHBondContact O-N 3.47Å; R424-H428 WeakPolarHBondContact O-CB 3.42Å; R424-H428 PolarHBondContact O-N 3.47Å |
| 425 | L | 92.1 | Very high | 87.8 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 177.4 | -69.9 | 171.7 | 0 | 0 | 0 | 111.8 | L123 H126 E421 G422 C423 H428 L429 | L123-L425 HydrophobicContact CD1-CB 3.98Å; L123-L425 HydrophobicContact CD1-CD1 4.42Å; H126-L425 HydrophobicContact CB-CD1 4.22Å; E421-L425 HydrophobicContact CG-CD1 4.33Å; E421-L425 WeakPolarHBondContact O-CG 3.39Å; E421-L425 PolarHBondContact O-N 3.33Å; G422-L425 PolarHBondContact O-N 3.31Å; C423-L425 VanDerWaalsContact C-N 3.32Å; C423-L425 PolarHBondContact O-N 3.06Å; L425-H428 PolarHBondContact O-N 2.95Å; L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.44Å; L425-L429 PolarHBondContact O-N 3.48Å |
| 426 | A | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L123 N395 L398 G422 C423 L429 V430 | L123-A426 HydrophobicContact CD2-CB 3.89Å; N395-A426 HydrophobicContact CB-CB 3.77Å; L398-A426 HydrophobicContact CD1-CB 4.25Å; G422-A426 WeakPolarHBondContact O-CB 3.38Å; G422-A426 PolarHBondContact O-N 3.41Å; C423-A426 PolarHBondContact O-N 3.49Å; A426-L429 WeakPolarHBondContact O-CB 3.3Å; A426-L429 PolarHBondContact O-N 3.41Å; A426-V430 WeakPolarHBondContact O-CG2 3.29Å; A426-V430 PolarHBondContact O-N 3.31Å |
| 427 | Q | 91 | Very high | 85.2 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 173.5 | -71.9 | 171.2 | 17.5 | 0 | 0 | 112.2 | N395 C423 R424 L429 V430 Q431 | N395-Q427 WeakPolarHBondContact ND2-CG 3.49Å; N395-Q427 VanDerWaalsContact OD1-CG 3.32Å; N395-Q427 WeakPolarHBondContact OD1-CG 3.46Å; N395-Q427 PolarHBondContact OD1-NE2 2.71Å; C423-Q427 WeakPolarHBondContact O-CB 3.34Å; C423-Q427 VanDerWaalsContact O-CG 3.27Å; C423-Q427 WeakPolarHBondContact O-CG 3.28Å; C423-Q427 PolarHBondContact O-N 2.97Å; R424-Q427 PolarHBondContact O-N 3.47Å; Q427-L429 VanDerWaalsContact C-N 3.26Å; Q427-L429 PolarHBondContact O-N 2.88Å; Q427-V430 PolarHBondContact O-N 3.13Å; Q427-Q431 WeakPolarHBondContact O-CG 3.46Å; Q427-Q431 PolarHBondContact O-N 3.02Å |
| 428 | H | 91.3 | Very high | 83.2 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 175.1 | 178.9 | -102.3 | 0 | 0 | 0 | 111.9 | R424 L425 Q431 K432 | R424-H428 WeakPolarHBondContact O-CB 3.42Å; R424-H428 PolarHBondContact O-N 3.47Å; L425-H428 PolarHBondContact O-N 2.95Å; H428-Q431 WeakPolarHBondContact O-CB 3.37Å; H428-Q431 PolarHBondContact O-N 3.29Å; H428-K432 PolarHBondContact O-N 3.48Å |
| 429 | L | 91.4 | Very high | 80.9 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 175.2 | -179.2 | 58 | 0 | 0 | 0 | 112.6 | G116 A119 S120 L123 L158 L425 A426 Q427 Q431 K432 L433 | G116-L429 WeakPolarHBondContact O-CD1 3.39Å; A119-L429 HydrophobicContact CB-CD1 3.95Å; S120-L429 WeakPolarHBondContact OG-CD2 3.46Å; L123-L429 HydrophobicContact CD2-CD2 4.1Å; L158-L429 HydrophobicContact CD2-CD2 3.6Å; L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.44Å; L425-L429 PolarHBondContact O-N 3.48Å; A426-L429 WeakPolarHBondContact O-CB 3.3Å; A426-L429 PolarHBondContact O-N 3.41Å; Q427-L429 VanDerWaalsContact C-N 3.26Å; Q427-L429 PolarHBondContact O-N 2.88Å; L429-Q431 VanDerWaalsContact C-N 3.3Å; L429-Q431 PolarHBondContact O-N 3.25Å; L429-K432 PolarHBondContact O-N 2.93Å; L429-L433 HydrophobicContact CD1-CD1 3.89Å; L429-L433 HydrophobicContact CD1-CG 4.32Å; L429-L433 HydrophobicContact CG-CD1 4.11Å; L429-L433 WeakPolarHBondContact O-CB 3.38Å; L429-L433 WeakPolarHBondContact O-CG 3.3Å; L429-L433 PolarHBondContact O-N 3.16Å; L429-L433 VanDerWaalsContact O-N 3.08Å |
| 430 | V | 91.8 | Very high | 78.6 | Confident | 26 Ų | 26 | 72.3 Ų | 72.3 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 169.8 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | R388 R392 A426 Q427 L433 S434 | R388-V430 HydrophobicContact CG-CG1 4.04Å; R392-V430 HydrophobicContact CB-CG2 4.28Å; A426-V430 WeakPolarHBondContact O-CG2 3.29Å; A426-V430 PolarHBondContact O-N 3.31Å; Q427-V430 PolarHBondContact O-N 3.13Å; V430-L433 PolarHBondContact O-N 2.86Å; V430-S434 PolarHBondContact O-N 3.44Å; V430-S434 PolarHBondContact O-OG 3.34Å |
| 431 | Q | 89.3 | Confident | 76.3 | Confident | 133 Ų | 133 | 78.8 Ų | 78.8 | 62% | 0.621 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.6 | -42.7 | 177.6 | -68.8 | 170.6 | -4.1 | 0 | 0 | 112.4 | Q427 H428 L429 L433 S434 | Q427-Q431 WeakPolarHBondContact O-CG 3.46Å; Q427-Q431 PolarHBondContact O-N 3.02Å; H428-Q431 WeakPolarHBondContact O-CB 3.37Å; H428-Q431 PolarHBondContact O-N 3.29Å; L429-Q431 VanDerWaalsContact C-N 3.3Å; L429-Q431 PolarHBondContact O-N 3.25Å; Q431-L433 VanDerWaalsContact C-N 3.29Å; Q431-L433 PolarHBondContact O-N 3.01Å; Q431-S434 WeakPolarHBondContact O-CB 3.26Å; Q431-S434 PolarHBondContact O-N 3.42Å; Q431-S434 VanDerWaalsContact O-N 3.1Å |
| 432 | K | 88.9 | Confident | 74 | Confident | 59 Ų | 59 | 82.8 Ų | 82.8 | 26% | 0.257 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 178.8 | -123.7 | -178.9 | -164.4 | -128.8 | 0 | 112.9 | K112 E115 H428 L429 S434 | K112-K432 PolarHBondContact NZ-O 3.26Å; E115-K432 HydrophobicContact CB-CD 4.25Å; E115-K432 IonicContact OE1-NZ 3.79Å; E115-K432 PolarHBondContact OE1-NZ 3.39Å; E115-K432 WeakPolarHBondContact OE2-CE 3.27Å; E115-K432 IonicContact OE2-NZ 2.7Å; E115-K432 PolarHBondContact OE2-NZ 2.97Å; H428-K432 PolarHBondContact O-N 3.48Å; L429-K432 PolarHBondContact O-N 2.93Å; K432-S434 VanDerWaalsContact C-N 3.31Å |
| 433 | L | 88.9 | Confident | 71.8 | Confident | 1 Ų | 1 | 90.7 Ų | 90.7 | 1% | 0.005 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.3 | 177.1 | -64.4 | 169 | 0 | 0 | 0 | 113.5 | L162 L384 R388 S391 L429 V430 Q431 | L162-L433 HydrophobicContact CD1-CD1 4.16Å; L162-L433 HydrophobicContact CD1-CD2 4.34Å; L162-L433 HydrophobicContact CD2-CD1 4.5Å; L162-L433 HydrophobicContact CD2-CD2 3.89Å; L384-L433 HydrophobicContact CD2-CD2 3.63Å; R388-L433 HydrophobicContact CB-CB 3.91Å; R388-L433 HydrophobicContact CG-CB 4.28Å; R388-L433 PolarHBondContact NE-O 2.91Å; R388-L433 PolarHBondContact NH2-O 3.21Å; S391-L433 WeakPolarHBondContact OG-CD1 3.22Å; L429-L433 HydrophobicContact CD1-CD1 3.89Å; L429-L433 HydrophobicContact CD1-CG 4.32Å; L429-L433 HydrophobicContact CG-CD1 4.11Å; L429-L433 WeakPolarHBondContact O-CB 3.38Å; L429-L433 WeakPolarHBondContact O-CG 3.3Å; L429-L433 PolarHBondContact O-N 3.16Å; L429-L433 VanDerWaalsContact O-N 3.08Å; V430-L433 PolarHBondContact O-N 2.86Å; Q431-L433 VanDerWaalsContact C-N 3.29Å; Q431-L433 PolarHBondContact O-N 3.01Å |
| 434 | S | 86.5 | Confident | 69.8 | Low | 37 Ų | 37 | 98.3 Ų | 98.3 | 26% | 0.259 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -76.8 | 160.2 | 171.1 | -74.3 | 0 | 0 | 0 | 0 | 112.6 | K112 V430 Q431 K432 | K112-S434 PolarHBondContact NZ-O 3.02Å; V430-S434 PolarHBondContact O-N 3.44Å; V430-S434 PolarHBondContact O-OG 3.34Å; Q431-S434 WeakPolarHBondContact O-CB 3.26Å; Q431-S434 PolarHBondContact O-N 3.42Å; Q431-S434 VanDerWaalsContact O-N 3.1Å; K432-S434 VanDerWaalsContact C-N 3.31Å |
| 435 | P | 72 | Confident | 67.2 | Low | 80 Ų | 80 | 98.5 Ų | 98.5 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | trans | -64.9 | 148.1 | 171.5 | -10.9 | 29 | 0 | 0 | 0 | 109.5 | N437 | P435-N437 PolarHBondContact O-N 2.9Å; P435-N437 VanDerWaalsContact O-N 3.12Å | ||
| 436 | E | 57.6 | Low | 64.9 | Low | 157 Ų | 157 | 104.5 Ų | 104.5 | 73% | 0.734 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -81 | 21.7 | 178.8 | -148.7 | 88.3 | -178.6 | 0 | 0 | 112.8 | K112 | K112-E436 WeakPolarHBondContact CE-OE2 3.36Å; K112-E436 IonicContact NZ-OE2 3.76Å; K112-E436 PolarHBondContact NZ-OE2 2.97Å |
| 437 | N | 46.5 | Very low | 62.4 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | trans | -96.8 | 112.2 | -179.1 | -95.3 | 23.7 | 0 | 0 | 0 | 110.5 | P435 N439 | P435-N437 PolarHBondContact O-N 2.9Å; P435-N437 VanDerWaalsContact O-N 3.12Å; N437-N439 PolarHBondContact O-N 3.05Å | ||
| 438 | D | 44.6 | Very low | 59.9 | Low | 152 Ų | 152 | 115 Ų | 115 | 81% | 0.813 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -65.5 | 114.9 | 167.5 | -74.5 | -54.5 | 0 | 0 | 0 | 111.2 | ||
| 439 | N | 38.4 | Very low | 57.8 | Low | 147 Ų | 147 | 116.7 Ų | 116.7 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | trans | 62.5 | 95.6 | 173.3 | -35.8 | -95.4 | 0 | 0 | 0 | 115.7 | N437 | N437-N439 PolarHBondContact O-N 3.05Š| ||
| 440 | D | 37.2 | Very low | 55.2 | Low | 138 Ų | 138 | 119.8 Ų | 119.8 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | trans | -134.9 | 140.3 | 132.7 | -90.4 | -50.9 | 0 | 0 | 0 | 106.8 | D442 | D440-D442 PolarHBondContact O-N 2.91Š| ||
| 441 | D | 40.1 | Very low | 52.6 | Low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 68% | 0.676 | S | S | * | * | trans | -77.4 | 104.2 | 174.5 | -73.2 | -60.7 | 0 | 0 | 0 | 108.6 | E443 | D441-E443 PolarHBondContact O-N 2.75Š| ||
| 442 | D | 41.8 | Very low | 50.1 | Low | 151 Ų | 151 | 129.4 Ų | 129.4 | 81% | 0.807 | 68% | 0.682 | S | S | * | * | trans | -66.9 | 72.6 | 177.3 | -81.9 | -36.3 | 0 | 0 | 0 | 111.8 | D440 | D440-D442 PolarHBondContact O-N 2.91Š| ||
| 443 | E | 45.1 | Very low | 47.5 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -78.6 | 127.6 | 158.5 | -82.9 | -79.6 | -176.4 | 0 | 0 | 109.2 | D441 V445 | D441-E443 PolarHBondContact O-N 2.75Å; E443-V445 PolarHBondContact O-N 2.87Å | ||
| 444 | D | 47.2 | Very low | 45.1 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | -60 | 88 | -167.2 | -83.7 | -56.1 | 0 | 0 | 0 | 114.5 | ||||
| 445 | V | 37.4 | Very low | 42.5 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -95.6 | 102.7 | 166 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | E443 V447 | E443-V445 PolarHBondContact O-N 2.87Å; V445-V447 HydrophobicContact CG1-CG2 4.41Å; V445-V447 PolarHBondContact O-N 3.22Å | ||
| 446 | Q | 43.4 | Very low | 40.5 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -61.1 | 102.6 | 164.4 | -67.3 | -174.6 | -0 | 0 | 0 | 109.5 | E448 | Q446-E448 VanDerWaalsContact C-N 3.35Å; Q446-E448 PolarHBondContact O-N 2.91Å | ||
| 447 | V | 39.8 | Very low | 39.2 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 91.2 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | V445 | V445-V447 HydrophobicContact CG1-CG2 4.41Å; V445-V447 PolarHBondContact O-N 3.22Å | ||
| 448 | E | 38.8 | Very low | 38.3 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -54.3 | 143.2 | 174.2 | -167.4 | 179.1 | -141.7 | 0 | 0 | 112.2 | Q446 A450 | Q446-E448 VanDerWaalsContact C-N 3.35Å; Q446-E448 PolarHBondContact O-N 2.91Å; E448-A450 PolarHBondContact O-N 3.07Å | ||
| 449 | V | 48.1 | Very low | 37.9 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -33.9 | 109.9 | -171.1 | -179 | 0 | 0 | 0 | 0 | 114.5 | E451 | V449-E451 PolarHBondContact O-N 2.9Š| ||
| 450 | A | 35.3 | Very low | 37.4 | Very low | 66 Ų | 66 | 149.5 Ų | 149.5 | 55% | 0.545 | 80% | 0.8 | S | S | . | * | trans | -98.1 | 63.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E448 K452 | E448-A450 PolarHBondContact O-N 3.07Å; A450-K452 PolarHBondContact O-N 3.21Å | ||
| 451 | E | 37.7 | Very low | 37.1 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 68 | 164.9 | -167.1 | -172.6 | -176.1 | 0 | 0 | 110.5 | V449 | V449-E451 PolarHBondContact O-N 2.9Š| ||
| 452 | K | 37.8 | Very low | 36.4 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -128.9 | 10.9 | -166.1 | -75 | 177.1 | -179.3 | 160.4 | 0 | 115.3 | A450 Q454 | A450-K452 PolarHBondContact O-N 3.21Å; K452-Q454 PolarHBondContact O-N 3.26Å; K452-Q454 VanDerWaalsContact O-N 3.09Å | ||
| 453 | V | 32.7 | Very low | 35.8 | Very low | 127 Ų | 127 | 154.4 Ų | 154.4 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 46.4 | 175 | -162.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 454 | Q | 38.9 | Very low | 35.2 | Very low | 168 Ų | 168 | 156.1 Ų | 156.1 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.4 | 35.8 | 171.4 | -140.1 | 172.8 | 98.7 | 0 | 0 | 116.9 | K452 | K452-Q454 PolarHBondContact O-N 3.26Å; K452-Q454 VanDerWaalsContact O-N 3.09Å |
| 455 | K | 32.3 | Very low | 34.5 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -143.7 | 30.9 | -179.1 | -116.1 | 166.9 | -169.3 | 169 | 0 | 118.2 | ||||
| 456 | S | 30.1 | Very low | 34.1 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -130.8 | 93.8 | 171.9 | 49 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 457 | S | 30.4 | Very low | 33.4 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -158 | 75.6 | 176.5 | -75.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 458 | A | 26.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 157.4 Ų | 157.4 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -161.8 | 111.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 459 | P | 37.4 | Very low | 32.4 | Very low | 130 Ų | 130 | 157.4 Ų | 157.4 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -83.3 | 157.2 | 169.9 | 34.7 | -33.8 | 0 | 0 | 0 | 110.9 | ||||
| 460 | R | 27.7 | Very low | 31.6 | Very low | 246 Ų | 246 | 156.7 Ų | 156.7 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -150.1 | 148 | 158.8 | -134.3 | 174.2 | -174.5 | -172.5 | -1.1 | 113.8 | ||||
| 461 | E | 29.9 | Very low | 31.7 | Very low | 185 Ų | 185 | 159.4 Ų | 159.4 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -83.8 | 166.4 | -166.6 | -64.2 | 156.4 | 97.3 | 0 | 0 | 114.7 | ||||
| 462 | M | 27.3 | Very low | 31.3 | Very low | 182 Ų | 182 | 158.5 Ų | 158.5 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -43.2 | 130.9 | 166 | -63.9 | 166.9 | 136.8 | 0 | 0 | 114.7 | ||||
| 463 | Q | 28.2 | Very low | 30.9 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -130.9 | 108.1 | 133.4 | -63.8 | -171.9 | -17.8 | 0 | 0 | 104.9 | ||||
| 464 | K | 31.9 | Very low | 31.1 | Very low | 202 Ų | 202 | 157.9 Ų | 157.9 | 88% | 0.878 | 83% | 0.828 | S | S | * | * | 70.7 | 124.4 | 69.4 | -160.2 | 179.7 | -173.4 | -173.7 | 0 | 111.2 | |||||
| 465 | A | 32.4 | Very low | 30.6 | Very low | 101 Ų | 101 | 158.2 Ų | 158.2 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -76.2 | 150.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 466 | E | 29.8 | Very low | 30.7 | Very low | 203 Ų | 203 | 157.9 Ų | 157.9 | 95% | 0.949 | 84% | 0.836 | S | S | * | * | trans | -135.3 | 165.4 | 150.8 | -165.4 | 147.2 | -145 | 0 | 0 | 108.1 | ||||
| 467 | E | 28.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 160.9 Ų | 160.9 | 71% | 0.706 | 84% | 0.838 | S | S | * | * | trans | -113.4 | 152.1 | -159.4 | -157.2 | -161.2 | 153.2 | 0 | 0 | 111.8 | ||||
| 468 | K | 28.8 | Very low | 30.6 | Very low | 170 Ų | 170 | 161.4 Ų | 161.4 | 74% | 0.739 | 84% | 0.84 | S | S | * | * | trans | 77 | 157 | 170.7 | -47.3 | -174.7 | -171 | -178.6 | 0 | 113.1 | ||||
| 469 | E | 27.8 | Very low | 30.6 | Very low | 178 Ų | 178 | 161.1 Ų | 161.1 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | cis | -136.8 | 160.6 | 20.5 | -165.8 | 163 | -133.1 | 0 | 0 | 113.5 | ||||
| 470 | V | 32.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 161.7 Ų | 161.7 | 70% | 0.697 | 83% | 0.832 | S | S | * | * | trans | -91 | 138.8 | -179.3 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | E472 | V470-E472 HydrophobicContact CG1-CG 3.87Š| ||
| 471 | P | 35.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 156.8 Ų | 156.8 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | trans | -110.9 | 119.1 | 141.9 | -4.1 | 24.2 | 0 | 0 | 0 | 110.3 | ||||
| 472 | E | 31.2 | Very low | 30.2 | Very low | 172 Ų | 172 | 157 Ų | 157 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -76.6 | 131.2 | 159.5 | -62.9 | 175.6 | 123.9 | 0 | 0 | 107.8 | V470 | V470-E472 HydrophobicContact CG1-CG 3.87Š| ||
| 473 | D | 28.9 | Very low | 30.2 | Very low | 159 Ų | 159 | 154.4 Ų | 154.4 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | 173.9 | 103.2 | 142.3 | -97.4 | -21.5 | 0 | 0 | 0 | 111.1 | ||||
| 474 | S | 35.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 177.3 | 85.3 | 152.8 | -79.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 475 | L | 30 | Very low | 30.2 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -95.4 | 116.8 | 171.1 | -75.1 | 171 | 0 | 0 | 0 | 110 | ||||
| 476 | E | 32.6 | Very low | 30.1 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -152.1 | 78 | 165.1 | -160.7 | 96.9 | -132.4 | 0 | 0 | 106.7 | ||||
| 477 | E | 27.8 | Very low | 30.1 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | 48.1 | 91.9 | 101.6 | -169.5 | 165.4 | -165.8 | 0 | 0 | 114.8 | |||||
| 478 | C | 30.8 | Very low | 30.1 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | trans | -156.2 | 101.6 | 148.8 | -117.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 479 | A | 26.5 | Very low | 30.1 | Very low | 88 Ų | 88 | 147.4 Ų | 147.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -85.8 | 175 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 480 | I | 30.3 | Very low | 30.1 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 73% | 0.728 | 82% | 0.822 | S | S | * | * | cis | -154.2 | 140.6 | 25.4 | -62.2 | 166.3 | 0 | 0 | 0 | 108.8 | Y482 | I480-Y482 HydrophobicContact CG2-CD2 4.39Š| ||
| 481 | T | 30.6 | Very low | 30.1 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -154.8 | 118.9 | 131 | 36.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 482 | Y | 25.9 | Very low | 29.9 | Very low | 191 Ų | 191 | 145 Ų | 145 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -82.5 | 149 | 170.6 | -88.9 | -97.9 | 0 | 0 | 0 | 111.5 | I480 | I480-Y482 HydrophobicContact CG2-CD2 4.39Š| ||
| 483 | S | 28.7 | Very low | 30 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -145.9 | 99.9 | 147.8 | -83.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 484 | N | 27.4 | Very low | 30.9 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -113.5 | 133.8 | 175.9 | -99.6 | -14 | 0 | 0 | 0 | 109.7 | ||||
| 485 | S | 31.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 123.5 | 163.3 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 486 | H | 30.8 | Very low | 30.6 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -57.6 | 161.3 | 175.8 | -54.4 | -96.2 | 0 | 0 | 0 | 112.3 | ||||
| 487 | G | 29.1 | Very low | 30.5 | Very low | 76 Ų | 76 | 148 Ų | 148 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | cis | -168.1 | -168.4 | 3.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 488 | S | 28.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | cis | -153.6 | 178.1 | 17.2 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 489 | Y | 29.6 | Very low | 30.3 | Very low | 213 Ų | 213 | 147.9 Ų | 147.9 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -55.8 | 165 | 165.9 | -85.7 | -117.9 | 0 | 0 | 0 | 112 | ||||
| 490 | D | 27.2 | Very low | 30.5 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | cis | -155.2 | -166.8 | 44.2 | -158.4 | 3.2 | 0 | 0 | 0 | 114.9 | ||||
| 491 | S | 32.3 | Very low | 30.4 | Very low | 83 Ų | 83 | 149.8 Ų | 149.8 | 58% | 0.58 | 79% | 0.79 | S | S | * | * | trans | -132.1 | 161 | -154.6 | -151.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 492 | N | 31.2 | Very low | 30.2 | Very low | 128 Ų | 128 | 151 Ų | 151 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | trans | 77.6 | 122.9 | 149 | -82 | -51.3 | 0 | 0 | 0 | 123.6 | ||||
| 493 | Q | 34.6 | Very low | 30.3 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 81.4 | 172.2 | 131.7 | -59 | -88 | -16.6 | 0 | 0 | 117.7 | ||||
| 494 | P | 47.4 | Very low | 30.2 | Very low | 89 Ų | 89 | 150.6 Ų | 150.6 | 58% | 0.578 | 77% | 0.774 | S | S | * | * | -142.8 | 168.2 | -75.6 | 41.7 | -25 | 0 | 0 | 0 | 115.1 | |||||
| 495 | H | 29.6 | Very low | 30.2 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 93% | 0.931 | 77% | 0.766 | S | S | * | * | trans | -141.4 | 158.3 | 157.9 | -86.6 | -63.2 | 0 | 0 | 0 | 115.7 | ||||
| 496 | R | 29.6 | Very low | 30.1 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -97.2 | 135.2 | -169.6 | -73.3 | 175.7 | 176.9 | 179.5 | -1.1 | 110.1 | ||||
| 497 | K | 29.8 | Very low | 30.2 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | 83.5 | 120.4 | 67.9 | -151.4 | -168.6 | -172 | -179.1 | 0 | 113.6 | |||||
| 498 | T | 28.4 | Very low | 30.1 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | 81.1 | 102.4 | 157.1 | 5.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 499 | K | 26.7 | Very low | 30.2 | Very low | 188 Ų | 188 | 149 Ų | 149 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | 64.1 | 151 | 118.3 | -158.9 | -165.7 | 177.8 | -174.9 | 0 | 121.3 | |||||
| 500 | I | 30.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | 113.2 | 146.4 | 158.4 | -58.5 | 179.5 | 0 | 0 | 0 | 113.5 | ||||
| 501 | T | 28.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -111 | 171.5 | -162.1 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 502 | F | 25.7 | Very low | 30.4 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | 118.4 | 105.4 | 138.2 | -135.1 | -115.9 | 0 | 0 | 0 | 117.3 | ||||
| 503 | E | 28.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 62% | 0.617 | 74% | 0.743 | S | S | * | * | trans | 68 | 153.8 | 131 | -97.2 | 67.2 | 160 | 0 | 0 | 125.6 | ||||
| 504 | E | 27.4 | Very low | 30.2 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | 45.8 | 135.7 | 159.5 | -66.4 | -173.2 | 113.6 | 0 | 0 | 121.2 | ||||
| 505 | D | 27.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 144 Ų | 144 | 60% | 0.599 | 76% | 0.758 | S | S | * | * | cis | 165.4 | 172.6 | -8.3 | 170.2 | 33.6 | 0 | 0 | 0 | 105 | ||||
| 506 | K | 29.7 | Very low | 29.8 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 68% | 0.683 | 75% | 0.751 | S | S | * | * | trans | 72.2 | 104.8 | 155.6 | -92.6 | 171.5 | -168.1 | 81.8 | 0 | 121.1 | ||||
| 507 | V | 31.6 | Very low | 29.7 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 69.7 | 154.5 | 138.3 | -56.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 508 | D | 28.8 | Very low | 30 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -151.2 | 155.3 | 23.5 | -144.3 | -29 | 0 | 0 | 0 | 116.6 | ||||
| 509 | S | 29.9 | Very low | 30.5 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | trans | 52 | 113.1 | 147.5 | -77.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 510 | T | 27.6 | Very low | 30.6 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | 64.7 | 126.2 | 110.5 | -48.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 511 | L | 31.9 | Very low | 30.8 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | 168.2 | 113.6 | 111.2 | -165.4 | 73.7 | 0 | 0 | 0 | 116 | |||||
| 512 | I | 34 | Very low | 30.8 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | trans | 57.4 | 139 | 148.4 | -61.3 | 172.1 | 0 | 0 | 0 | 121.4 | ||||
| 513 | G | 28.9 | Very low | 31 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | trans | -159.6 | -11.2 | 177 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 514 | S | 32 | Very low | 31.1 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | 71.8 | 163 | 176.6 | -45.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 515 | S | 38.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | cis | -177 | 132.2 | -34.8 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 516 | S | 31.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | 155.3 | 153.3 | 153.7 | 42.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 517 | H | 27.8 | Very low | 31.9 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | cis | -163.3 | 121.3 | -29.1 | -151 | -79.9 | 0 | 0 | 0 | 105 | ||||
| 518 | V | 35.4 | Very low | 32.3 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 58% | 0.582 | 74% | 0.74 | S | S | * | * | 77.5 | 118.3 | 52.8 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 519 | E | 38.1 | Very low | 32.1 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | cis | -166.2 | -157.8 | -3.2 | -143.7 | 116.7 | -94.9 | 0 | 0 | 111.5 | ||||
| 520 | W | 29.9 | Very low | 32 | Very low | 222 Ų | 222 | 136 Ų | 136 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | 102.8 | 132.6 | 162.6 | -70 | 65.6 | 0 | 0 | 0 | 118.6 | ||||
| 521 | E | 34.1 | Very low | 32 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -168 | 171.3 | -29 | -131.9 | 178.3 | -163.4 | 0 | 0 | 111.8 | ||||
| 522 | D | 28.9 | Very low | 31.9 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | 79.3 | 141.6 | 156.6 | -145.1 | 18.6 | 0 | 0 | 0 | 123.3 | ||||
| 523 | A | 29 | Very low | 31.8 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -94 | -175.2 | -150.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 524 | V | 31.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | -179.2 | 118.7 | 112.3 | 148.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 525 | H | 29.3 | Very low | 32.4 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | trans | 56.5 | 121.1 | 145.6 | -63.3 | 60.8 | 0 | 0 | 0 | 120.1 | ||||
| 526 | I | 32.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 145 Ų | 145 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | 85.8 | 127.9 | 64.4 | -71.8 | 167.2 | 0 | 0 | 0 | 113.6 | |||||
| 527 | I | 40.5 | Very low | 32.8 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -79.5 | 156.7 | 178.8 | -57.1 | 159.4 | 0 | 0 | 0 | 110.2 | E529 | I527-E529 HydrophobicContact CG2-CG 4.34Š| ||
| 528 | P | 38.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | -128.9 | 137.1 | 127.5 | 36 | -29.4 | 0 | 0 | 0 | 113.2 | |||||
| 529 | E | 24.6 | Very low | 33 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -80.5 | 135.4 | 158.8 | -62.5 | 167.4 | 124.4 | 0 | 0 | 108 | I527 | I527-E529 HydrophobicContact CG2-CG 4.34Š| ||
| 530 | N | 27.5 | Very low | 32.7 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -122.7 | 131.3 | 144 | -74.5 | 15.8 | 0 | 0 | 0 | 103.6 | ||||
| 531 | E | 28.4 | Very low | 32.6 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | 49.7 | 130.9 | 71.8 | -66.6 | -171.3 | 152.2 | 0 | 0 | 113.2 | |||||
| 532 | S | 29.3 | Very low | 33.1 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | cis | -167.8 | -172.9 | -20.9 | 57.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 533 | D | 32.6 | Very low | 33 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 70.1 | 142.1 | 167.5 | -46.5 | 0.3 | 0 | 0 | 0 | 114.5 | ||||
| 534 | D | 35 | Very low | 33.4 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | cis | -117.8 | 162.2 | 5 | -87.7 | -57.8 | 0 | 0 | 0 | 113.1 | ||||
| 535 | E | 36.8 | Very low | 34.1 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -71.2 | 158.3 | 178.2 | -61 | -78.9 | -168 | 0 | 0 | 113.6 | ||||
| 536 | E | 41.2 | Very low | 34.2 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | -173 | 122.3 | 106.6 | -98.9 | -170.8 | -176.5 | 0 | 0 | 112.6 | |||||
| 537 | E | 37.9 | Very low | 34.2 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | 51.7 | 126.9 | 134.1 | -57.8 | -63.9 | 117.2 | 0 | 0 | 122.6 | ||||
| 538 | E | 35.2 | Very low | 33.7 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 49.4 | 155.7 | 131.6 | -64.6 | -157.5 | 151.5 | 0 | 0 | 122.5 | ||||
| 539 | E | 32.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | cis | -148.7 | 178.4 | -17.3 | -126.1 | -153.3 | 159.5 | 0 | 0 | 108.9 | ||||
| 540 | K | 32.2 | Very low | 33.8 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 70% | 0.7 | 75% | 0.751 | S | S | * | * | trans | 4.4 | 148 | 159.2 | -37.9 | -76.2 | 168.5 | 170 | 0 | 121.4 | ||||
| 541 | G | 27.9 | Very low | 34.1 | Very low | 68 Ų | 68 | 141.2 Ų | 141.2 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -77.7 | -152 | 143.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 542 | P | 43.4 | Very low | 34.3 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | cis | -136.2 | 166.7 | -9.3 | 42.2 | -25.8 | 0 | 0 | 0 | 115 | ||||
| 543 | V | 28 | Very low | 34.4 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | 42.4 | 106.4 | 139.1 | -178.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 544 | S | 36.3 | Very low | 34.4 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | 71.5 | 169.5 | 144.1 | -101.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 545 | P | 46.5 | Very low | 34.2 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | cis | -140.1 | 165.2 | -9.9 | 35.6 | -15.7 | 0 | 0 | 0 | 118.6 | ||||
| 546 | R | 31.6 | Very low | 33.8 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | 63 | 123.4 | 144 | -85.3 | -176.2 | 169.8 | 173.1 | -2.5 | 125.2 | ||||
| 547 | N | 32.2 | Very low | 34.1 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | 83.6 | 146.4 | 126.8 | -78.9 | 5.1 | 0 | 0 | 0 | 125.1 | |||||
| 548 | L | 30.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 71.9 | 161.7 | 165 | -60.8 | 165.1 | 0 | 0 | 0 | 118.3 | ||||
| 549 | Q | 31.8 | Very low | 33.5 | Very low | 145 Ų | 145 | 143 Ų | 143 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | cis | -168.7 | 157.9 | -48.2 | -160.7 | 178.7 | -84.8 | 0 | 0 | 109.1 | ||||
| 550 | E | 33.2 | Very low | 33.5 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 74.7 | 155.9 | 168 | -43 | -172.9 | 167.9 | 0 | 0 | 115.6 | ||||
| 551 | S | 34.3 | Very low | 33.3 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | cis | -151.4 | 173.9 | 9.5 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 552 | E | 31.6 | Very low | 33.4 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 65.8 | 157.7 | 158.1 | -72.8 | 140.9 | 147.5 | 0 | 0 | 119.7 | ||||
| 553 | E | 30.6 | Very low | 32.8 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | cis | -146.4 | -168.8 | 13.3 | -146.1 | 167.5 | -145.7 | 0 | 0 | 113.8 | ||||
| 554 | E | 33.1 | Very low | 32.8 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | -72.7 | -178.7 | -168.4 | -57.6 | 179.3 | 116.5 | 0 | 0 | 117.2 | ||||
| 555 | E | 30.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | cis | -151.8 | 176.9 | -0.4 | -144 | -164.1 | 161.9 | 0 | 0 | 111.2 | ||||
| 556 | V | 29.5 | Very low | 32 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | -144.2 | 118.4 | -177.8 | 179.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 557 | P | 46.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -134.6 | 153.4 | 132.9 | 28.9 | -13 | 0 | 0 | 0 | 112.7 | ||||
| 558 | Q | 29.6 | Very low | 31.7 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | cis | 106.5 | 146.8 | 11 | -159.7 | 176.2 | 3.6 | 0 | 0 | 115.1 | ||||
| 559 | E | 30.6 | Very low | 31.6 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | 78.1 | 146.6 | 176.8 | -64.9 | -165.7 | -174.7 | 0 | 0 | 117.8 | ||||
| 560 | S | 31.7 | Very low | 31.5 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 52% | 0.517 | 77% | 0.767 | S | S | . | * | cis | -167.1 | 168.1 | -10.1 | 44.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 561 | W | 29.9 | Very low | 32.3 | Very low | 223 Ų | 223 | 144.3 Ų | 144.3 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 65.7 | 137.5 | 169.7 | -43.8 | 103.4 | 0 | 0 | 0 | 117.7 | ||||
| 562 | D | 28.7 | Very low | 32.5 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | cis | 96.7 | 163.7 | 23.4 | -159 | 20.8 | 0 | 0 | 0 | 114.8 | ||||
| 563 | E | 31.3 | Very low | 32.3 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | 77.9 | 139.8 | -175.2 | -148 | 81.2 | -108.5 | 0 | 0 | 116.1 | ||||
| 564 | G | 28.7 | Very low | 32.1 | Very low | 60 Ų | 60 | 145 Ų | 145 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | -153.3 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 565 | Y | 29.4 | Very low | 31.9 | Very low | 231 Ų | 231 | 145.2 Ų | 145.2 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -140.9 | 151 | 178.1 | -96.7 | -88.4 | 0 | 0 | 0 | 112.9 | ||||
| 566 | S | 36.2 | Very low | 31.7 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -117.4 | 143.8 | -175.9 | -64.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 567 | T | 30 | Very low | 31.7 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | -164.3 | 118.9 | 147.3 | 17.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 568 | L | 26.6 | Very low | 30.6 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | cis | 84.6 | 96.2 | 48.8 | -149.2 | 179.4 | 0 | 0 | 0 | 113.4 | ||||
| 569 | S | 29.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -167.3 | 140.1 | 150.3 | -81.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 570 | I | 29.6 | Very low | 30.2 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | trans | -160.4 | 155.6 | -168.5 | -57.2 | 176 | 0 | 0 | 0 | 106.2 | ||||
| 571 | P | 49.2 | Very low | 30 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | cis | -116.4 | -134 | -29.2 | 37.6 | -16.9 | 0 | 0 | 0 | 108.2 | ||||
| 572 | P | 39.5 | Very low | 29.9 | Very low | 100 Ų | 100 | 145 Ų | 145 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | -130.6 | 175.5 | -25 | 35.6 | -15.7 | 0 | 0 | 0 | 116.7 | ||||
| 573 | E | 26.8 | Very low | 29.7 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | 13.6 | 138.8 | 141.9 | -52.3 | 174.1 | 154.2 | 0 | 0 | 118.9 | ||||
| 574 | M | 25.9 | Very low | 29.8 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | 179 | 134.8 | 62.3 | -178.6 | -166.3 | -54.1 | 0 | 0 | 111 | |||||
| 575 | L | 29 | Very low | 29.6 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -174.3 | 135.9 | 140.7 | -106.8 | 175.7 | 0 | 0 | 0 | 111.6 | ||||
| 576 | A | 26.7 | Very low | 29.5 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -91.2 | 175.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 577 | S | 29.3 | Very low | 29.3 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | cis | -161.4 | -179.3 | 21.5 | -163.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 578 | Y | 25.1 | Very low | 29.5 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 65.5 | 89.7 | 169.1 | -85.3 | -88.2 | 0 | 0 | 0 | 118.5 | ||||
| 579 | Q | 26.5 | Very low | 30.1 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | -149 | 165.7 | 93.9 | -102.6 | -174.2 | 8.8 | 0 | 0 | 110.5 | |||||
| 580 | S | 25.7 | Very low | 30.5 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -116.1 | 126.2 | -162.3 | -167.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 581 | Y | 26.4 | Very low | 30.6 | Very low | 211 Ų | 211 | 146.3 Ų | 146.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 40.8 | 92.2 | 151.2 | -76.7 | -101 | 0 | 0 | 0 | 118.8 | ||||
| 582 | S | 27 | Very low | 29.9 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | -107.7 | 128.5 | 127.4 | 58.4 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 583 | S | 26.1 | Very low | 29.7 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | trans | -115 | 119.2 | -174.2 | -170.5 | 0 | 0 | 0 | 0 | 110.9 | F585 | S583-F585 PolarHBondContact O-N 3.37Š| ||
| 584 | T | 32 | Very low | 30 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | -77 | 105.8 | -174.6 | -41.8 | 0 | 0 | 0 | 0 | 111.5 | H586 | T584-H586 VanDerWaalsContact CG2-CD2 3.46Å; T584-H586 WeakPolarHBondContact CG2-CD2 3.5Å; T584-H586 WeakPolarHBondContact CG2-NE2 3.43Å | ||
| 585 | F | 24.4 | Very low | 30.3 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -104.6 | 94.5 | 165.1 | -82 | -83.3 | 0 | 0 | 0 | 110.3 | S583 | S583-F585 PolarHBondContact O-N 3.37Š| ||
| 586 | H | 28.4 | Very low | 30.6 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | -78.3 | 141.6 | 162 | -73.3 | -70.2 | 0 | 0 | 0 | 110 | T584 L588 | T584-H586 VanDerWaalsContact CG2-CD2 3.46Å; T584-H586 WeakPolarHBondContact CG2-CD2 3.5Å; T584-H586 WeakPolarHBondContact CG2-NE2 3.43Å; H586-L588 PolarHBondContact O-N 2.7Å | ||
| 587 | S | 32.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 111 | -169.9 | -55.2 | 0 | 0 | 0 | 0 | 113.7 | E589 | S587-E589 PolarHBondContact O-N 3.42Š| ||
| 588 | L | 33.1 | Very low | 31.2 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 41.9 | 171.7 | -162.7 | 74.7 | 0 | 0 | 0 | 112.4 | H586 | H586-L588 PolarHBondContact O-N 2.7Š|
| 589 | E | 38.9 | Very low | 31.7 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | -29.7 | -174.3 | -164.4 | 158.2 | -157.6 | 0 | 0 | 113.6 | S587 Q591 | S587-E589 PolarHBondContact O-N 3.42Å; E589-Q591 PolarHBondContact O-N 3.49Å |
| 590 | E | 38.8 | Very low | 32.2 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -76.8 | -17.3 | 180 | -71.5 | -168.6 | 120.8 | 0 | 0 | 114.5 | Q592 | E590-Q592 PolarHBondContact O-N 2.98Š|
| 591 | Q | 31.6 | Very low | 32.5 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -87.4 | 1.7 | -173.3 | -146.3 | 169.7 | 18 | 0 | 0 | 115.3 | E589 | E589-Q591 PolarHBondContact O-N 3.49Š|
| 592 | Q | 34.3 | Very low | 32.7 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -89.9 | -7.8 | 174.3 | -67.3 | -166.3 | 36 | 0 | 0 | 114.2 | E590 | E590-Q592 PolarHBondContact O-N 2.98Š|
| 593 | V | 35.2 | Very low | 33 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -76.4 | -27.5 | -173.8 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | M595 | V593-M595 PolarHBondContact O-N 3.3Š|
| 594 | C | 32.6 | Very low | 33.2 | Very low | 111 Ų | 111 | 153 Ų | 153 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -87.9 | 1.1 | -170.3 | -61.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 595 | M | 33.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -108.9 | -2.4 | -178.8 | -65.9 | -163 | -63.9 | 0 | 0 | 114.9 | V593 | V593-M595 PolarHBondContact O-N 3.3Š|
| 596 | A | 33.7 | Very low | 33.5 | Very low | 87 Ų | 87 | 155.7 Ų | 155.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -90.8 | -4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 597 | V | 37.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 154.4 Ų | 154.4 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -97.4 | -38.6 | -167.6 | 177.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 598 | D | 31.6 | Very low | 33.8 | Very low | 125 Ų | 125 | 158.9 Ų | 158.9 | 67% | 0.668 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -91.8 | -9.7 | -162.4 | -67.5 | -50.3 | 0 | 0 | 0 | 116.6 | G600 | D598-G600 PolarHBondContact O-N 2.82Å; D598-G600 VanDerWaalsContact O-N 3.12Å |
| 599 | I | 36.4 | Very low | 33.8 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -65.9 | -18.4 | -179.2 | -61.3 | 178.5 | 0 | 0 | 0 | 112 | R601 | I599-R601 PolarHBondContact O-N 3.13Š|
| 600 | G | 36.4 | Very low | 33.4 | Very low | 73 Ų | 73 | 158 Ų | 158 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -79.4 | -6.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | D598 | D598-G600 PolarHBondContact O-N 2.82Å; D598-G600 VanDerWaalsContact O-N 3.12Å |
| 601 | R | 32.6 | Very low | 33.1 | Very low | 224 Ų | 224 | 156.6 Ų | 156.6 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -116.6 | -0.2 | -163.8 | -84.2 | -167.4 | 175.1 | -81.2 | 1.9 | 119 | I599 | I599-R601 PolarHBondContact O-N 3.13Š|
| 602 | H | 29.6 | Very low | 33.1 | Very low | 184 Ų | 184 | 156 Ų | 156 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -116.2 | 26.5 | -169.3 | -95.2 | -68 | 0 | 0 | 0 | 117.3 | ||
| 603 | R | 34.3 | Very low | 32.8 | Very low | 238 Ų | 238 | 157.2 Ų | 157.2 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -143.2 | 26.6 | -175.2 | -123.1 | -176.3 | -149.3 | -74.3 | -0.8 | 118.8 | ||
| 604 | W | 30.8 | Very low | 32.5 | Very low | 253 Ų | 253 | 156.2 Ų | 156.2 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -138.2 | 14 | -179.5 | -134.9 | 31.2 | 0 | 0 | 0 | 119.6 | ||
| 605 | D | 29.6 | Very low | 32.3 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -128 | 68.6 | 174.7 | -80.1 | -62.3 | 0 | 0 | 0 | 113.2 | ||||
| 606 | Q | 32.8 | Very low | 31.9 | Very low | 189 Ų | 189 | 153.6 Ų | 153.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -155.3 | 50.5 | 165 | -157.9 | 162.1 | 88.4 | 0 | 0 | 115.7 | ||||
| 607 | V | 34.3 | Very low | 32.5 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -154.2 | 102.8 | 143.9 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 608 | K | 32 | Very low | 32.1 | Very low | 202 Ų | 202 | 161.4 Ų | 161.4 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | 169.8 | 113.2 | 146.2 | -96 | -77.9 | 178 | 175.5 | 0 | 108.2 | ||||
| 609 | K | 34.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 163.7 Ų | 163.7 | 70% | 0.704 | 82% | 0.818 | S | S | * | * | trans | -119.2 | 151.9 | 175.8 | -144.4 | 177.8 | 169.8 | -81.7 | 0 | 107.4 | ||||
| 610 | E | 30.5 | Very low | 31.5 | Very low | 133 Ų | 133 | 161.4 Ų | 161.4 | 62% | 0.621 | 82% | 0.816 | S | S | * | * | trans | 61.8 | 144.1 | 178.8 | -76.5 | 87.2 | -129.9 | 0 | 0 | 115.2 | ||||
| 611 | D | 31.3 | Very low | 31.1 | Very low | 146 Ų | 146 | 169.8 Ų | 169.8 | 78% | 0.781 | 83% | 0.825 | S | S | * | * | cis | -119.9 | 175.4 | 16.8 | -70.3 | -59.7 | 0 | 0 | 0 | 115.3 | ||||
| 612 | Q | 31.2 | Very low | 30.9 | Very low | 150 Ų | 150 | 166.6 Ų | 166.6 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -44.5 | 139 | 173.6 | -83.8 | 85.4 | 9.2 | 0 | 0 | 115.5 | ||||
| 613 | E | 29.1 | Very low | 30.8 | Very low | 179 Ų | 179 | 164.1 Ų | 164.1 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | 77.2 | 106.9 | 60.9 | -176.6 | -171.8 | -147.3 | 0 | 0 | 114.2 | |||||
| 614 | A | 29.5 | Very low | 30.6 | Very low | 89 Ų | 89 | 159.9 Ų | 159.9 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 178.9 | 125.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 615 | T | 28.6 | Very low | 30.5 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 52.2 | 118.2 | 140.3 | -46.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 616 | G | 24.6 | Very low | 30.6 | Very low | 62 Ų | 62 | 152.4 Ų | 152.4 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | trans | -120.6 | -154.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 617 | P | 45.5 | Very low | 30.6 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | cis | -136.3 | 143.8 | -32.3 | 37.1 | -22.1 | 0 | 0 | 0 | 112.9 | ||||
| 618 | R | 29.2 | Very low | 30.2 | Very low | 242 Ų | 242 | 148.2 Ų | 148.2 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | trans | -147.4 | 120.1 | 170.1 | -72.6 | -162.1 | 175.5 | -164.8 | -3.5 | 117.1 | ||||
| 619 | L | 26.8 | Very low | 30.8 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | 38.9 | 149.4 | 130.3 | -57.3 | 178.9 | 0 | 0 | 0 | 123.1 | ||||
| 620 | S | 29.2 | Very low | 30.6 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -95.9 | 151.5 | -173 | 51.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 621 | R | 28.2 | Very low | 30.5 | Very low | 249 Ų | 249 | 145.6 Ų | 145.6 | 94% | 0.94 | 78% | 0.783 | S | S | * | * | trans | -155.5 | -175.2 | 140.7 | -148.3 | 159.2 | -176.6 | 165.7 | 3.3 | 112.1 | ||||
| 622 | E | 27.4 | Very low | 30.4 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -126.7 | 159.9 | -146.3 | -121.7 | -176.6 | 128 | 0 | 0 | 114.3 | ||||
| 623 | L | 27 | Very low | 30.4 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 80 | 134.5 | 147.3 | -69.4 | 165.3 | 0 | 0 | 0 | 124.1 | ||||
| 624 | L | 31.5 | Very low | 30.2 | Very low | 148 Ų | 148 | 145 Ų | 145 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 62 | 125.8 | 140.4 | -74.7 | 164.1 | 0 | 0 | 0 | 123 | ||||
| 625 | D | 28.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | -167.3 | 172.8 | 97.5 | -124.4 | -17.2 | 0 | 0 | 0 | 109.8 | |||||
| 626 | E | 31.4 | Very low | 30.2 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 58% | 0.575 | 78% | 0.779 | S | S | * | * | cis | -158.6 | 153.2 | 5.6 | -149.6 | -171.6 | -177.1 | 0 | 0 | 111.1 | ||||
| 627 | K | 32.4 | Very low | 30.4 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 57.8 | 143.6 | 163.3 | -68.9 | 146.9 | -173.2 | 157.2 | 0 | 119.5 | ||||
| 628 | G | 26.6 | Very low | 29.5 | Very low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | cis | 124.5 | 151.6 | 5.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 629 | P | 43.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | cis | -128.1 | -167.1 | 7.4 | 44 | -28 | 0 | 0 | 0 | 115 | ||||
| 630 | E | 30.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -86.9 | 169.9 | -179.9 | -42.9 | 106.9 | 117.7 | 0 | 0 | 115.9 | ||||
| 631 | V | 30.1 | Very low | 29.2 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | -172.2 | 163.7 | 122.1 | 144.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 632 | L | 28.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | trans | -99.8 | 179.5 | -156.3 | -70.1 | 165.8 | 0 | 0 | 0 | 116.9 | ||||
| 633 | Q | 29.6 | Very low | 29.5 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -44.9 | 167.1 | 167.2 | -56.8 | 145.2 | -41.9 | 0 | 0 | 113.4 | ||||
| 634 | D | 26.5 | Very low | 29.6 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | cis | -169.2 | 171.6 | 35 | -160.1 | 4.2 | 0 | 0 | 0 | 113.6 | ||||
| 635 | S | 28.9 | Very low | 29.5 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | 59.3 | 127.5 | 151.3 | 69.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 636 | L | 29.3 | Very low | 29.5 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | 20.5 | 138 | 140.7 | -58.8 | 166 | 0 | 0 | 0 | 119.7 | ||||
| 637 | D | 26.9 | Very low | 29.4 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | -171.5 | 162.8 | 54.6 | -171.8 | 22.4 | 0 | 0 | 0 | 114.1 | |||||
| 638 | R | 27.1 | Very low | 29.2 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | 35.8 | 136.6 | 157.2 | -98.1 | 174.2 | -77.4 | -115.2 | -15 | 125.7 | ||||
| 639 | C | 25.3 | Very low | 29.2 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | 69.4 | 130.2 | 145.9 | -63.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 640 | Y | 25.9 | Very low | 28.4 | Very low | 212 Ų | 212 | 133.9 Ų | 133.9 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | cis | -150.1 | 162.2 | 34.6 | -103.5 | -78.3 | 0 | 0 | 0 | 114.5 | ||||
| 641 | S | 28.5 | Very low | 28.3 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 67.9 | 100.1 | 152.5 | -57.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 642 | T | 28.5 | Very low | 28.1 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -61.6 | 156.2 | 136.5 | 2.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 643 | P | 32.2 | Very low | 27.9 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | -111 | 119 | 106.1 | -12.1 | 29.9 | 0 | 0 | 0 | 110 | |||||
| 644 | S | 30.6 | Very low | 27.7 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | 52.4 | 115.1 | 96.8 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 645 | G | 28.2 | Very low | 27.9 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | cis | 140.5 | 169.9 | 12.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 646 | C | 28.5 | Very low | 27.6 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | cis | -146 | 143 | 3.6 | -81.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 647 | L | 29.9 | Very low | 27.4 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 49 | 147.3 | 132 | -73.1 | 72.7 | 0 | 0 | 0 | 120.5 | ||||
| 648 | E | 29.3 | Very low | 27.4 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | cis | -162.3 | 120.4 | -17.5 | -115.9 | 158.2 | -163.6 | 0 | 0 | 103.6 | ||||
| 649 | L | 26.3 | Very low | 27.4 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | 84.5 | 126.4 | 73.6 | -79.8 | 173.6 | 0 | 0 | 0 | 115.7 | |||||
| 650 | T | 26.2 | Very low | 27.3 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | 65.6 | 116 | 147.7 | 47.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 651 | D | 28.4 | Very low | 27.2 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | 69 | 110.7 | 120.8 | -55 | -2.9 | 0 | 0 | 0 | 121.6 | |||||
| 652 | S | 26 | Very low | 27.1 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -147.1 | 138.7 | 134.5 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 653 | C | 23.8 | Very low | 27 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | trans | -97 | 113.5 | -173.9 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 654 | Q | 26 | Very low | 26.9 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -155.3 | 126 | 154.1 | -80.7 | -49.5 | -38.8 | 0 | 0 | 111.8 | ||||
| 655 | P | 30.1 | Very low | 26.9 | Very low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -127.4 | 105.1 | 171.9 | 35.9 | -20.8 | 0 | 0 | 0 | 114 | ||||
| 656 | Y | 22.8 | Very low | 26.8 | Very low | 212 Ų | 212 | 151.1 Ų | 151.1 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -164.1 | 144.1 | 156.1 | -127 | -74.3 | 0 | 0 | 0 | 116 | ||||
| 657 | R | 25.4 | Very low | 26.8 | Very low | 222 Ų | 222 | 156.8 Ų | 156.8 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 64.2 | 143.3 | 161.9 | -92.5 | 145.6 | -176.6 | -80.5 | -3.6 | 117.4 | ||||
| 658 | S | 26.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -159.5 | 148 | -16.9 | -166.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 659 | A | 26.6 | Very low | 26.4 | Very low | 93 Ų | 93 | 151.8 Ų | 151.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -79.9 | 157.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 660 | F | 23.5 | Very low | 26.4 | Very low | 196 Ų | 196 | 153.3 Ų | 153.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -102.9 | -176.7 | 161.6 | -96 | -97.5 | 0 | 0 | 0 | 110 | ||||
| 661 | Y | 24.3 | Very low | 26.5 | Very low | 208 Ų | 208 | 152.4 Ų | 152.4 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | 89 | 100 | 161.9 | -81.1 | -88.3 | 0 | 0 | 0 | 120.3 | ||||
| 662 | V | 25.9 | Very low | 26.5 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | 78.3 | 140.5 | 119.4 | 161.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 663 | L | 27.1 | Very low | 26.6 | Very low | 158 Ų | 158 | 155.8 Ų | 155.8 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -85.2 | 139.7 | 166 | -65.8 | 73 | 0 | 0 | 0 | 109.5 | ||||
| 664 | E | 28.8 | Very low | 27.1 | Very low | 192 Ų | 192 | 159.1 Ų | 159.1 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | -154.5 | 175.3 | 123.6 | -127 | -177 | 167.9 | 0 | 0 | 112.5 | |||||
| 665 | Q | 31.2 | Very low | 27.3 | Very low | 165 Ų | 165 | 158.3 Ų | 158.3 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | trans | -77.6 | 145.6 | -173.3 | -63.6 | 178.9 | 65 | 0 | 0 | 112.2 | ||||
| 666 | Q | 27.4 | Very low | 27.3 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -131.9 | 111.8 | 151.2 | -163.7 | 160 | 58.6 | 0 | 0 | 110.2 | ||||
| 667 | R | 27.1 | Very low | 27.9 | Very low | 226 Ų | 226 | 153.8 Ų | 153.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -70.6 | 133.8 | 167.5 | -69.3 | -178.6 | 173 | -151.1 | 0.5 | 108.7 | ||||
| 668 | V | 25.5 | Very low | 28.4 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | trans | -129 | 112.5 | 159.1 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | F670 | V668-F670 HydrophobicContact CG1-CD2 3.83Å; V668-F670 HydrophobicContact CG1-CE2 3.52Å; V668-F670 HydrophobicContact CG1-CZ 4.41Å | ||
| 669 | G | 24.9 | Very low | 28.7 | Very low | 71 Ų | 71 | 156.6 Ų | 156.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -95.4 | 141.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 670 | F | 27.9 | Very low | 29 | Very low | 178 Ų | 178 | 160 Ų | 160 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -126.8 | 111.9 | 164.1 | -84.9 | -74.4 | 0 | 0 | 0 | 108.8 | V668 | V668-F670 HydrophobicContact CG1-CD2 3.83Å; V668-F670 HydrophobicContact CG1-CE2 3.52Å; V668-F670 HydrophobicContact CG1-CZ 4.41Å | ||
| 671 | A | 27.1 | Very low | 29.5 | Very low | 87 Ų | 87 | 159.7 Ų | 159.7 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 153.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 672 | F | 28.6 | Very low | 29.9 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -141.2 | 114.9 | 163.5 | -118.1 | -81.9 | 0 | 0 | 0 | 107.7 | ||||
| 673 | D | 27.8 | Very low | 30.2 | Very low | 152 Ų | 152 | 162.8 Ų | 162.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -70.1 | 143.9 | 176.9 | -71.2 | -60.6 | 0 | 0 | 0 | 111 | D675 | D673-D675 PolarHBondContact O-N 3.04Š| ||
| 674 | M | 34.9 | Very low | 30.8 | Very low | 181 Ų | 181 | 164.6 Ų | 164.6 | 89% | 0.892 | 83% | 0.828 | S | S | * | * | trans | -89.6 | 90.3 | 176.5 | -83.8 | -77.4 | -63.6 | 0 | 0 | 109.6 | ||||
| 675 | D | 30.6 | Very low | 31.4 | Very low | 168 Ų | 168 | 164.9 Ų | 164.9 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -144.3 | 146.9 | 170.8 | -139.2 | -24.7 | 0 | 0 | 0 | 112.5 | D673 | D673-D675 PolarHBondContact O-N 3.04Š| ||
| 676 | G | 29.4 | Very low | 32.1 | Very low | 64 Ų | 64 | 163.4 Ų | 163.4 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | trans | 113.3 | 23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | K678 | G676-K678 PolarHBondContact O-N 3.31Š| ||
| 677 | I | 36.1 | Very low | 32.4 | Very low | 160 Ų | 160 | 162.5 Ų | 162.5 | 82% | 0.821 | 82% | 0.822 | S | S | * | * | trans | -71.6 | 114.9 | 157.7 | -65.9 | 179.8 | 0 | 0 | 0 | 107.7 | ||||
| 678 | K | 35.5 | Very low | 32.6 | Very low | 191 Ų | 191 | 159.4 Ų | 159.4 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 137.5 | 168.7 | -69 | -174.4 | 177.1 | -175.8 | 0 | 109.1 | G676 | G676-K678 PolarHBondContact O-N 3.31Š|
| 679 | K | 32.3 | Very low | 33.2 | Very low | 194 Ų | 194 | 160 Ų | 160 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 140.5 | 175.8 | -58 | -177.1 | 179.2 | -173.9 | 0 | 110.1 | ||
| 680 | D | 33.1 | Very low | 34.2 | Very low | 164 Ų | 164 | 162.6 Ų | 162.6 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84 | 153.6 | 151.4 | -62.7 | -55.2 | 0 | 0 | 0 | 108.4 | ||
| 681 | E | 34.5 | Very low | 34.5 | Very low | 190 Ų | 190 | 160 Ų | 160 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 126.8 | -176.5 | -65.8 | 170.9 | 134.8 | 0 | 0 | 110.8 | ||
| 682 | E | 32.9 | Very low | 34.9 | Very low | 200 Ų | 200 | 161.5 Ų | 161.5 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | trans | -132.8 | 130.7 | 153.4 | -73.1 | -168.5 | 144.1 | 0 | 0 | 108 | ||||
| 683 | E | 31.5 | Very low | 34.8 | Very low | 195 Ų | 195 | 164.2 Ų | 164.2 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | trans | -95.6 | 133.9 | 175.2 | -63.4 | 179 | 121.9 | 0 | 0 | 109.9 | ||||
| 684 | E | 39.8 | Very low | 34.9 | Very low | 197 Ų | 197 | 165.1 Ų | 165.1 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -136.7 | 143.3 | 159.6 | -84.9 | -100.1 | 121.7 | 0 | 0 | 107.2 | ||||
| 685 | E | 40.4 | Very low | 34.6 | Very low | 198 Ų | 198 | 161.7 Ų | 161.7 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -85.3 | 121.8 | -157.6 | -69.2 | -172.6 | 120.4 | 0 | 0 | 116.6 | ||||
| 686 | D | 45.9 | Very low | 34.5 | Very low | 133 Ų | 133 | 163.7 Ų | 163.7 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | 59.6 | 114.8 | 137.5 | -145.9 | 29 | 0 | 0 | 0 | 122.3 | ||||
| 687 | Q | 34.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 166.6 Ų | 166.6 | 76% | 0.757 | 83% | 0.831 | S | S | * | * | trans | 70.4 | 121 | 163.3 | -51.4 | -52.9 | -54.6 | 0 | 0 | 121.2 | ||||
| 688 | D | 32 | Very low | 34 | Very low | 162 Ų | 162 | 166 Ų | 166 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | -79.3 | 150.5 | 179.1 | -65.1 | -71.5 | 0 | 0 | 0 | 116.5 | ||||
| 689 | P | 37.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 163.3 Ų | 163.3 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -105.9 | 156.1 | 160.6 | 37.5 | -30.8 | 0 | 0 | 0 | 114.4 | ||||
| 690 | P | 46.4 | Very low | 33.5 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -96.9 | 166.4 | -170.7 | 37.6 | -37.7 | 0 | 0 | 0 | 117.3 | ||||
| 691 | C | 33.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 160.6 Ų | 160.6 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -82 | 164.9 | -175.8 | -33.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 692 | P | 35.8 | Very low | 33 | Very low | 118 Ų | 118 | 157.2 Ų | 157.2 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -147.2 | 114.5 | 140.8 | 35.3 | -17 | 0 | 0 | 0 | 118.7 | ||||
| 693 | R | 27.6 | Very low | 33.1 | Very low | 253 Ų | 253 | 155.5 Ų | 155.5 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | 63.4 | 161.2 | 129.6 | -69.1 | -173 | 170.8 | 178 | -2.3 | 124.7 | |||||
| 694 | L | 28.7 | Very low | 33.2 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -103 | 164.7 | -163.3 | -57.2 | 153.7 | 0 | 0 | 0 | 114.6 | ||||
| 695 | S | 29.6 | Very low | 32.7 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | -179.1 | 141 | 124.2 | 60.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 696 | R | 28.1 | Very low | 32.4 | Very low | 210 Ų | 210 | 148 Ų | 148 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | 68.3 | 150.2 | 146.6 | -91.7 | -178.8 | 144.6 | 114.3 | 11.8 | 120 | ||||
| 697 | E | 28.7 | Very low | 31.6 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 58% | 0.584 | 79% | 0.794 | S | S | * | * | cis | -163.9 | 139.6 | -3.2 | -166.7 | 145.6 | -134 | 0 | 0 | 113.2 | ||||
| 698 | L | 26.8 | Very low | 31.4 | Very low | 149 Ų | 149 | 150 Ų | 150 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | 58.5 | 163.9 | 163.5 | -65.3 | 171.1 | 0 | 0 | 0 | 118.7 | ||||
| 699 | L | 27.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | cis | -146.9 | 126.2 | 15.9 | -173.7 | 65 | 0 | 0 | 0 | 113.6 | ||||
| 700 | E | 29.1 | Very low | 30.8 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | trans | 41.1 | 118 | 136.8 | -148.6 | 162.7 | -120.9 | 0 | 0 | 122.9 | V702 | E700-V702 HydrophobicContact CG-CG2 4.18Š| ||
| 701 | V | 27.2 | Very low | 30.2 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 139.2 | 144.9 | 175.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 702 | V | 30.3 | Very low | 30 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -107.8 | 135.4 | -171.7 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | E700 | E700-V702 HydrophobicContact CG-CG2 4.18Š| ||
| 703 | E | 34 | Very low | 29.6 | Very low | 165 Ų | 165 | 154 Ų | 154 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 167.1 | 171.5 | -66.6 | -177.5 | 115.3 | 0 | 0 | 111.8 | ||||
| 704 | P | 34.3 | Very low | 29.5 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | -132.1 | 159.2 | 111.9 | 37.2 | -30.7 | 0 | 0 | 0 | 114.3 | |||||
| 705 | E | 28.3 | Very low | 29.5 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -78 | 168.9 | -169.9 | -62.7 | 161.1 | 106.8 | 0 | 0 | 114.3 | ||||
| 706 | V | 35.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | -86.6 | 135.6 | 169 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 707 | L | 29.1 | Very low | 29.4 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -133.3 | 149.3 | 150.7 | -83.8 | -176.9 | 0 | 0 | 0 | 112.5 | ||||
| 708 | Q | 29.5 | Very low | 29.3 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -88.9 | -176.1 | 171.4 | -60.6 | 161.4 | -54.2 | 0 | 0 | 107.4 | ||||
| 709 | D | 27.1 | Very low | 29.3 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -162.9 | 176.4 | 19.3 | -160.5 | 9.4 | 0 | 0 | 0 | 112.2 | ||||
| 710 | S | 29.9 | Very low | 29.1 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 74.3 | 135.8 | 151.5 | 75.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 711 | L | 34.2 | Very low | 28.8 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -107.5 | 148.3 | 164.2 | -69.4 | 155 | 0 | 0 | 0 | 108.8 | ||||
| 712 | D | 28 | Very low | 28.6 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 66% | 0.658 | 78% | 0.777 | S | S | * | * | -160 | 153.8 | 128.1 | -148.2 | -4.5 | 0 | 0 | 0 | 115 | |||||
| 713 | R | 27.5 | Very low | 28.4 | Very low | 193 Ų | 193 | 143 Ų | 143 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | 53.4 | 100.3 | 148.9 | -116.2 | 161.1 | -75.7 | -129.4 | -1.5 | 123.2 | ||||
| 714 | C | 27.3 | Very low | 28 | Very low | 102 Ų | 102 | 144 Ų | 144 | 69% | 0.689 | 79% | 0.786 | S | S | * | * | 61.8 | 121.7 | 118.3 | -62.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 715 | Y | 27.7 | Very low | 28.3 | Very low | 222 Ų | 222 | 142.8 Ų | 142.8 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | trans | 44.1 | 109.4 | 134.3 | -62.7 | -73.1 | 0 | 0 | 0 | 120.8 | ||||
| 716 | S | 26.6 | Very low | 28.1 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | -158 | 158.5 | 110.5 | -83.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 717 | T | 29.3 | Very low | 27.7 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -70 | 159.3 | -177.6 | -20.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 718 | P | 26.8 | Very low | 27.5 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -121.3 | 129 | 133 | 34.2 | -28 | 0 | 0 | 0 | 110.9 | ||||
| 719 | S | 25.8 | Very low | 27.6 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -106.9 | 164.5 | 162.2 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 720 | S | 23.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 110 | 140.3 | 158.6 | 77.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 721 | C | 22.2 | Very low | 27.5 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | 70 | 136.3 | 161 | -61.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 722 | L | 23.8 | Very low | 27.1 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | cis | -165 | -175.8 | -12.9 | -125.6 | 168.9 | 0 | 0 | 0 | 109.7 | ||||
| 723 | E | 26.8 | Very low | 27 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 70.5 | 93.8 | 159.2 | -71.5 | 171.5 | 166.2 | 0 | 0 | 120.2 | ||||
| 724 | Q | 23.9 | Very low | 27.1 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | -65 | 167.8 | 128.3 | -83.9 | -177.8 | -30.1 | 0 | 0 | 110.3 | |||||
| 725 | P | 40.8 | Very low | 27.2 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | cis | -141.5 | -173.6 | 23.7 | 44.2 | -25.5 | 0 | 0 | 0 | 117.6 | ||||
| 726 | D | 25.8 | Very low | 27.3 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 59.4 | 118.5 | 155.4 | -58.7 | -27.4 | 0 | 0 | 0 | 120.1 | ||||
| 727 | S | 24.9 | Very low | 27.5 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | -175.1 | 155.4 | 60.4 | 40.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 728 | C | 26.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | 68.2 | 150.1 | 161.4 | -65.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 729 | Q | 30.7 | Very low | 27.9 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -79.3 | 168.5 | -175.7 | -59.5 | 173 | -32.5 | 0 | 0 | 112.8 | ||||
| 730 | P | 31.1 | Very low | 28.2 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | -138.2 | 165 | 101.1 | 39.6 | -30.1 | 0 | 0 | 0 | 116.6 | |||||
| 731 | Y | 24 | Very low | 28.5 | Very low | 233 Ų | 233 | 148 Ų | 148 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -73.6 | 154.7 | 174.4 | -139.9 | -107.9 | 0 | 0 | 0 | 112.6 | ||||
| 732 | G | 26.8 | Very low | 28.9 | Very low | 66 Ų | 66 | 152.1 Ų | 152.1 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | 141.1 | 135 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 733 | S | 26.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 64.9 | 104.4 | 167.7 | -159.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 734 | S | 28.5 | Very low | 29.3 | Very low | 88 Ų | 88 | 146.3 Ų | 146.3 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | cis | 82.8 | 111.4 | 39.6 | 87.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 735 | F | 29.4 | Very low | 29.7 | Very low | 215 Ų | 215 | 147.3 Ų | 147.3 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | trans | -115.7 | 149.5 | 154.2 | -80.5 | -83 | 0 | 0 | 0 | 108.7 | ||||
| 736 | Y | 30.3 | Very low | 29.4 | Very low | 223 Ų | 223 | 148.1 Ų | 148.1 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -87.1 | 142.5 | -167.4 | -93.9 | -100.6 | 0 | 0 | 0 | 113.7 | ||||
| 737 | A | 30.2 | Very low | 29.8 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -73.6 | 161.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 738 | L | 32.8 | Very low | 30.1 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -115.5 | 124.3 | 176.4 | -131.8 | 159 | 0 | 0 | 0 | 108.6 | E740 | L738-E740 PolarHBondContact O-N 2.96Š| ||
| 739 | E | 31.6 | Very low | 30.5 | Very low | 145 Ų | 145 | 152 Ų | 152 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | trans | -73.5 | 114.5 | -175.7 | -61.1 | 178.6 | 132.3 | 0 | 0 | 111.6 | K741 | E739-K741 WeakPolarHBondContact OE2-CE 3.43Å; E739-K741 IonicContact OE2-NZ 2.64Å; E739-K741 PolarHBondContact OE2-NZ 3.21Å | ||
| 740 | E | 32.4 | Very low | 30.8 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 90% | 0.897 | 85% | 0.852 | S | S | * | * | trans | -82.3 | 127.9 | 158.8 | -172.7 | 162.1 | -147.1 | 0 | 0 | 109.3 | L738 | L738-E740 PolarHBondContact O-N 2.96Š| ||
| 741 | K | 31.1 | Very low | 30.8 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 65% | 0.652 | 85% | 0.853 | S | S | * | * | trans | -109.2 | 114.5 | -172.6 | -81 | 175.1 | 177 | 152.2 | 0 | 111.6 | E739 V743 | E739-K741 WeakPolarHBondContact OE2-CE 3.43Å; E739-K741 IonicContact OE2-NZ 2.64Å; E739-K741 PolarHBondContact OE2-NZ 3.21Å; K741-V743 PolarHBondContact O-N 3.19Å | ||
| 742 | H | 29.5 | Very low | 31.2 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 91% | 0.907 | 85% | 0.849 | S | S | * | * | trans | -49.4 | 129.7 | 168.3 | -72.8 | -89.8 | 0 | 0 | 0 | 111.7 | ||||
| 743 | V | 30.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 79% | 0.788 | 86% | 0.859 | S | S | * | * | trans | -119.2 | 112.6 | 158.6 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | K741 | K741-V743 PolarHBondContact O-N 3.19Š| ||
| 744 | G | 29 | Very low | 31.7 | Very low | 71 Ų | 71 | 154.4 Ų | 154.4 | 73% | 0.732 | 86% | 0.863 | S | S | * | * | trans | -80.3 | 137.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 745 | F | 31.6 | Very low | 31.9 | Very low | 207 Ų | 207 | 158.6 Ų | 158.6 | 91% | 0.908 | 88% | 0.879 | S | S | * | * | trans | -87.5 | 114.4 | 165 | -79 | -86.6 | 0 | 0 | 0 | 109.7 | ||||
| 746 | S | 34.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 83% | 0.825 | 87% | 0.874 | S | S | * | * | trans | -77 | 126.1 | 165.1 | -62.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 747 | L | 33.5 | Very low | 32.2 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 91% | 0.911 | 87% | 0.874 | S | S | * | * | trans | -71.2 | 133.3 | 155.2 | -77.7 | 161.4 | 0 | 0 | 0 | 108.3 | ||||
| 748 | D | 30.3 | Very low | 32.4 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 83% | 0.834 | 88% | 0.881 | S | S | * | * | trans | -120.6 | 154.4 | 164.8 | -164.3 | 10.9 | 0 | 0 | 0 | 108.8 | ||||
| 749 | V | 34.8 | Very low | 32.3 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 85% | 0.848 | 88% | 0.879 | S | S | * | * | trans | -120.1 | 113.6 | -169.6 | 178.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 750 | G | 38.2 | Very low | 32.4 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 100% | 1.567 | 90% | 0.897 | S | S | * | * | trans | -157.4 | 0 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 750 of 750 residues in 1093.5 ms
(Link to these results)