| 1 | M | 74.3 | Confident | 92.9 | Very high | 193 Ų | 193 | 109 Ų | 109 | 95% | 0.951 | 54% | 0.537 | S | S | * | . | | | | 0 | 139.6 | 0 | -76.1 | -62.7 | 154.5 | 0 | 0 | 108.4 | L5 L6 | M1-L5 HydrophobicContact SD-CD2 4.2Å; M1-L6 HydrophobicContact CB-CD2 4.4Å |
| 2 | D | 95.6 | Very high | 92.9 | Very high | 93 Ų | 93 | 110.3 Ų | 110.3 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | | | trans | -67.4 | 130.2 | 179.4 | -175.9 | -15 | 0 | 0 | 0 | 110.5 | S4 L5 L6 | D2-S4 WeakPolarHBondContact OD1-CB 3.34Å; D2-S4 PolarHBondContact OD1-N 2.83Å; D2-S4 PolarHBondContact OD1-OG 3.22Å; D2-S4 VanDerWaalsContact OD1-OG 3.06Å; D2-S4 PolarHBondContact OD2-OG 2.95Å; D2-S4 PolarHBondContact O-N 2.8Å; D2-L5 HydrophobicContact CB-CB 4.2Å; D2-L5 WeakPolarHBondContact O-CB 3.13Å; D2-L5 PolarHBondContact O-N 3.26Å; D2-L5 VanDerWaalsContact O-N 3.13Å; D2-L6 PolarHBondContact O-N 2.87Å |
| 3 | P | 93.4 | Very high | 92.9 | Very high | 94 Ų | 94 | 112 Ų | 112 | 61% | 0.61 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -51.8 | -32 | 171.7 | -27.4 | 34.7 | 0 | 0 | 0 | 114.3 | R7 | P3-R7 PolarHBondContact O-N 3.25Å; P3-R7 WeakPolarHBondContact O-CG 3.4Å |
| 4 | S | 95.7 | Very high | 92.8 | Very high | 38 Ų | 38 | 114.2 Ų | 114.2 | 27% | 0.266 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 175.8 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | D2 L6 R7 D8 | D2-S4 WeakPolarHBondContact OD1-CB 3.34Å; D2-S4 PolarHBondContact OD1-N 2.83Å; D2-S4 PolarHBondContact OD1-OG 3.22Å; D2-S4 VanDerWaalsContact OD1-OG 3.06Å; D2-S4 PolarHBondContact OD2-OG 2.95Å; D2-S4 PolarHBondContact O-N 2.8Å; S4-L6 VanDerWaalsContact C-N 3.28Å; S4-L6 PolarHBondContact O-N 3.34Å; S4-R7 WeakPolarHBondContact O-CB 3.35Å; S4-R7 PolarHBondContact O-N 2.76Å; S4-R7 VanDerWaalsContact O-N 3.08Å; S4-D8 PolarHBondContact O-N 3.06Å |
| 5 | L | 94.7 | Very high | 92.6 | Very high | 96 Ų | 96 | 117.3 Ų | 117.3 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.2 | -35.3 | 179.7 | -177.1 | 63.4 | 0 | 0 | 0 | 112.4 | M1 D2 D8 R9 | M1-L5 HydrophobicContact SD-CD2 4.2Å; D2-L5 HydrophobicContact CB-CB 4.2Å; D2-L5 WeakPolarHBondContact O-CB 3.13Å; D2-L5 PolarHBondContact O-N 3.26Å; D2-L5 VanDerWaalsContact O-N 3.13Å; L5-D8 PolarHBondContact O-N 3.21Å; L5-R9 WeakPolarHBondContact O-CB 3.22Å; L5-R9 PolarHBondContact O-N 2.8Å |
| 6 | L | 95.6 | Very high | 92.4 | Very high | 72 Ų | 72 | 112 Ų | 112 | 38% | 0.377 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 174.9 | -66.6 | 177.2 | 0 | 0 | 0 | 111.6 | M1 D2 S4 R9 E10 | M1-L6 HydrophobicContact CB-CD2 4.4Å; D2-L6 PolarHBondContact O-N 2.87Å; S4-L6 VanDerWaalsContact C-N 3.28Å; S4-L6 PolarHBondContact O-N 3.34Å; L6-R9 PolarHBondContact O-N 3.15Å; L6-E10 PolarHBondContact O-N 2.93Å; L6-E10 WeakPolarHBondContact O-CG 3.4Å |
| 7 | R | 95.8 | Very high | 92 | Very high | 163 Ų | 163 | 114.2 Ų | 114.2 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 175.7 | -65.3 | -176.3 | -59.7 | 162.7 | 3.6 | 111.5 | P3 S4 R9 E10 L11 | P3-R7 PolarHBondContact O-N 3.25Å; P3-R7 WeakPolarHBondContact O-CG 3.4Å; S4-R7 WeakPolarHBondContact O-CB 3.35Å; S4-R7 PolarHBondContact O-N 2.76Å; S4-R7 VanDerWaalsContact O-N 3.08Å; R7-R9 VanDerWaalsContact C-N 3.33Å; R7-R9 PolarHBondContact O-N 3.09Å; R7-E10 WeakPolarHBondContact O-CB 3.25Å; R7-E10 PolarHBondContact O-N 2.98Å; R7-L11 WeakPolarHBondContact O-CG 3.33Å; R7-L11 PolarHBondContact O-N 3.14Å |
| 8 | D | 93.9 | Very high | 91.6 | Very high | 92 Ų | 92 | 113.3 Ų | 113.3 | 49% | 0.492 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -39.9 | 178.5 | -69.3 | -12.9 | 0 | 0 | 0 | 111.7 | S4 L5 E10 L11 F12 | S4-D8 PolarHBondContact O-N 3.06Å; L5-D8 PolarHBondContact O-N 3.21Å; D8-E10 VanDerWaalsContact C-N 3.33Å; D8-E10 PolarHBondContact O-N 3.26Å; D8-L11 PolarHBondContact O-N 2.97Å; D8-F12 WeakPolarHBondContact O-CB 3.44Å; D8-F12 PolarHBondContact O-N 2.84Å |
| 9 | R | 95.4 | Very high | 90.8 | Very high | 154 Ų | 154 | 111.4 Ų | 111.4 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.2 | -43.4 | 173.3 | -174 | 179.8 | 112 | -101.8 | 6.3 | 111.9 | L5 L6 R7 K13 | L5-R9 WeakPolarHBondContact O-CB 3.22Å; L5-R9 PolarHBondContact O-N 2.8Å; L6-R9 PolarHBondContact O-N 3.15Å; R7-R9 VanDerWaalsContact C-N 3.33Å; R7-R9 PolarHBondContact O-N 3.09Å; R9-K13 PolarHBondContact O-N 3.01Å; R9-K13 WeakPolarHBondContact O-CB 3.42Å |
| 10 | E | 94.6 | Very high | 89.9 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.2 | -41.7 | 178.7 | -71.1 | 173.5 | -162.2 | 0 | 0 | 112 | L6 R7 D8 K14 | L6-E10 PolarHBondContact O-N 2.93Å; L6-E10 WeakPolarHBondContact O-CG 3.4Å; R7-E10 WeakPolarHBondContact O-CB 3.25Å; R7-E10 PolarHBondContact O-N 2.98Å; D8-E10 VanDerWaalsContact C-N 3.33Å; D8-E10 PolarHBondContact O-N 3.26Å; E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 3.3Å; E10-K14 VanDerWaalsContact O-N 3.14Å |
| 11 | L | 93.4 | Very high | 89.1 | Confident | 105 Ų | 105 | 109.6 Ų | 109.6 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -44.3 | 176.4 | -69.7 | 174.5 | 0 | 0 | 0 | 111.8 | R7 D8 K13 K14 R15 | R7-L11 WeakPolarHBondContact O-CG 3.33Å; R7-L11 PolarHBondContact O-N 3.14Å; D8-L11 PolarHBondContact O-N 2.97Å; L11-K13 PolarHBondContact O-N 3.48Å; L11-K14 PolarHBondContact O-N 3.14Å; L11-R15 PolarHBondContact O-N 3.38Å |
| 12 | F | 92.9 | Very high | 88.4 | Confident | 124 Ų | 124 | 105.5 Ų | 105.5 | 54% | 0.544 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.7 | -179.5 | -95.4 | 0 | 0 | 0 | 111.4 | D8 K14 R15 A16 V21 | D8-F12 WeakPolarHBondContact O-CB 3.44Å; D8-F12 PolarHBondContact O-N 2.84Å; F12-K14 VanDerWaalsContact C-N 3.32Å; F12-K14 PolarHBondContact O-N 3.24Å; F12-R15 PolarHBondContact O-N 2.86Å; F12-R15 VanDerWaalsContact O-N 3.15Å; F12-A16 HydrophobicContact CE1-CB 4.26Å; F12-A16 PolarHBondContact O-N 2.95Å; F12-A16 WeakPolarHBondContact O-CB 3.36Å; F12-V21 HydrophobicContact CE2-CG2 4.01Å; F12-V21 HydrophobicContact CZ-CG2 4.21Å |
| 13 | K | 92.2 | Very high | 86.8 | Confident | 133 Ų | 133 | 109.8 Ų | 109.8 | 58% | 0.578 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.2 | -43.5 | 176.1 | -173.6 | 178.3 | 66.6 | 174 | 0 | 111.8 | R9 L11 L17 | R9-K13 PolarHBondContact O-N 3.01Å; R9-K13 WeakPolarHBondContact O-CB 3.42Å; L11-K13 PolarHBondContact O-N 3.48Å; K13-L17 WeakPolarHBondContact O-CG 3.44Å; K13-L17 PolarHBondContact O-N 3.43Å |
| 14 | K | 91.6 | Very high | 85.5 | Confident | 143 Ų | 143 | 113.9 Ų | 113.9 | 62% | 0.622 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.1 | -43.8 | 175.7 | -72.4 | 175.8 | -178.3 | 176.2 | 0 | 111.8 | E10 L11 F12 | E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 3.3Å; E10-K14 VanDerWaalsContact O-N 3.14Å; L11-K14 PolarHBondContact O-N 3.14Å; F12-K14 VanDerWaalsContact C-N 3.32Å; F12-K14 PolarHBondContact O-N 3.24Å |
| 15 | R | 89.3 | Confident | 83.8 | Confident | 160 Ų | 160 | 124.2 Ų | 124.2 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.8 | -47 | 178.3 | -179.6 | 178.8 | -98.3 | 174.5 | -6.7 | 111.5 | L11 F12 L17 S18 T19 | L11-R15 PolarHBondContact O-N 3.38Å; F12-R15 PolarHBondContact O-N 2.86Å; F12-R15 VanDerWaalsContact O-N 3.15Å; R15-L17 VanDerWaalsContact C-N 3.26Å; R15-L17 PolarHBondContact O-N 3.44Å; R15-S18 PolarHBondContact O-N 3.42Å; R15-T19 VanDerWaalsContact O-OG1 3.09Å; R15-T19 PolarHBondContact O-OG1 3.31Å; R15-T19 PolarHBondContact O-N 2.83Å; R15-T19 CarbonylContact O-C 3.55Å; R15-T19 WeakPolarHBondContact CG-OG1 3.49Å; R15-T19 VanDerWaalsContact CG-OG1 3.22Å |
| 16 | A | 89.9 | Confident | 81.7 | Confident | 33 Ų | 33 | 123.5 Ų | 123.5 | 27% | 0.273 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.8 | -31.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F12 P20 | F12-A16 HydrophobicContact CE1-CB 4.26Å; F12-A16 PolarHBondContact O-N 2.95Å; F12-A16 WeakPolarHBondContact O-CB 3.36Å; A16-P20 WeakPolarHBondContact O-CA 3.49Å |
| 17 | L | 86.1 | Confident | 79.1 | Confident | 149 Ų | 149 | 126.6 Ų | 126.6 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.4 | -31.1 | 175.7 | -68.8 | 171.1 | 0 | 0 | 0 | 113.1 | K13 R15 | K13-L17 WeakPolarHBondContact O-CG 3.44Å; K13-L17 PolarHBondContact O-N 3.43Å; R15-L17 VanDerWaalsContact C-N 3.26Å; R15-L17 PolarHBondContact O-N 3.44Å |
| 18 | S | 84.1 | Confident | 76.9 | Confident | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.9 | -44.4 | -177.5 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | R15 | R15-S18 PolarHBondContact O-N 3.42Å |
| 19 | T | 76.5 | Confident | 74.9 | Confident | 77 Ų | 77 | 125.5 Ų | 125.5 | 47% | 0.472 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -124.6 | 91 | 178.2 | 58.8 | 0 | 0 | 0 | 0 | 107.5 | R15 V21 | R15-T19 VanDerWaalsContact O-OG1 3.09Å; R15-T19 PolarHBondContact O-OG1 3.31Å; R15-T19 PolarHBondContact O-N 2.83Å; R15-T19 CarbonylContact O-C 3.55Å; R15-T19 WeakPolarHBondContact CG-OG1 3.49Å; R15-T19 VanDerWaalsContact CG-OG1 3.22Å; T19-V21 PolarHBondContact O-N 2.96Å |
| 20 | P | 74 | Confident | 72.5 | Confident | 95 Ų | 95 | 126.7 Ų | 126.7 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | | | trans | -58.9 | 126.2 | 178.1 | 23.7 | -32.5 | 0 | 0 | 0 | 109.2 | A16 V22 | A16-P20 WeakPolarHBondContact O-CA 3.49Å; P20-V22 PolarHBondContact O-N 3.17Å |
| 21 | V | 71.3 | Confident | 70.5 | Confident | 90 Ų | 90 | 127.1 Ų | 127.1 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | | | trans | -73.1 | 19.8 | -174 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | F12 T19 E23 | F12-V21 HydrophobicContact CE2-CG2 4.01Å; F12-V21 HydrophobicContact CZ-CG2 4.21Å; T19-V21 PolarHBondContact O-N 2.96Å; V21-E23 VanDerWaalsContact C-N 3.3Å; V21-E23 PolarHBondContact O-N 3.43Å |
| 22 | V | 60.8 | Low | 68.5 | Low | 108 Ų | 108 | 128 Ų | 128 | 66% | 0.655 | 69% | 0.687 | S | S | * | * | | | trans | -81.4 | 84.6 | 178.4 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | P20 K24 | P20-V22 PolarHBondContact O-N 3.17Å; V22-K24 HydrophobicContact CG1-CG 3.85Å; V22-K24 PolarHBondContact O-N 3.18Å |
| 23 | E | 62.4 | Low | 66.4 | Low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | | | trans | -62.2 | 83.4 | 155.9 | -69.6 | -176.4 | -178.5 | 0 | 0 | 108.4 | V21 R25 | V21-E23 VanDerWaalsContact C-N 3.3Å; V21-E23 PolarHBondContact O-N 3.43Å; E23-R25 PolarHBondContact O-N 2.92Å |
| 24 | K | 65.8 | Low | 64.1 | Low | 180 Ų | 180 | 125.5 Ų | 125.5 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | | | trans | -69.4 | 111.4 | 151.3 | -68.7 | -161.5 | 170.8 | -174.3 | 0 | 104.9 | V22 A26 | V22-K24 HydrophobicContact CG1-CG 3.85Å; V22-K24 PolarHBondContact O-N 3.18Å; K24-A26 PolarHBondContact O-N 3.01Å |
| 25 | R | 60.3 | Low | 61.9 | Low | 254 Ų | 254 | 124.1 Ų | 124.1 | 96% | 0.958 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -38.4 | 100.2 | 177.9 | -73.5 | -177.3 | 177.5 | 114.3 | -1 | 111.5 | E23 | E23-R25 PolarHBondContact O-N 2.92Š|
| 26 | A | 49.8 | Very low | 59.8 | Low | 82 Ų | 82 | 121.7 Ų | 121.7 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | trans | -159.6 | 112.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | K24 | K24-A26 PolarHBondContact O-N 3.01Š|
| 27 | V | 41.2 | Very low | 57.8 | Low | 136 Ų | 136 | 125.5 Ų | 125.5 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | trans | 63.3 | 131.7 | 160.6 | -73.6 | 0 | 0 | 0 | 0 | 121 | S29 | V27-S29 PolarHBondContact O-N 2.94Š|
| 28 | P | 50.2 | Low | 56.5 | Low | 136 Ų | 136 | 128.4 Ų | 128.4 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | | | trans | -77.3 | 104.8 | 174.1 | 33.3 | -29.1 | 0 | 0 | 0 | 108.4 | | |
| 29 | S | 50.3 | Low | 55.2 | Low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -138.7 | 111 | 163.2 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | V27 | V27-S29 PolarHBondContact O-N 2.94Š|
| 30 | E | 46.4 | Very low | 54.4 | Low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 72 | 89.7 | 158.3 | -60.2 | -167.4 | 116.6 | 0 | 0 | 117.2 | | |
| 31 | S | 51.7 | Low | 53.3 | Low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -29.2 | 121.4 | 134.2 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | S33 | S31-S33 PolarHBondContact O-N 2.88Š|
| 32 | P | 51.3 | Low | 52.2 | Low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -76.5 | 88.3 | 156.9 | 30.8 | -27.2 | 0 | 0 | 0 | 106.4 | | |
| 33 | S | 48.4 | Very low | 51.8 | Low | 97 Ų | 97 | 147.2 Ų | 147.2 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | -53.2 | 155 | 165.6 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | S31 | S31-S33 PolarHBondContact O-N 2.88Š|
| 34 | S | 45.7 | Very low | 51.1 | Low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | 81.5 | 85.9 | 144.8 | 62.6 | 0 | 0 | 0 | 0 | 119 | | |
| 35 | S | 44 | Very low | 50.3 | Low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -87.6 | 124.5 | 141.1 | 60 | 0 | 0 | 0 | 0 | 110.5 | | |
| 36 | S | 46.3 | Very low | 49.7 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 91.7 | 98.2 | 162.6 | 80 | 0 | 0 | 0 | 0 | 118.9 | | |
| 37 | S | 47.8 | Very low | 49.3 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | | -178.4 | 99 | 128.3 | -79.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 38 | K | 57.6 | Low | 49.9 | Very low | 209 Ų | 209 | 134.2 Ų | 134.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | 28.9 | 100.3 | 156.3 | -73.5 | 166.1 | 179 | 164.8 | 0 | 118.7 | | |
| 39 | K | 57.4 | Low | 50 | Low | 207 Ų | 207 | 133.7 Ų | 133.7 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | | | trans | -168.4 | 122 | 140.3 | 33.3 | -152.9 | 171.7 | 177.1 | 0 | 113.5 | | |
| 40 | K | 59.5 | Low | 50.2 | Low | 189 Ų | 189 | 133.8 Ų | 133.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 11.7 | 133.5 | 163.8 | -79.6 | -169 | 177.5 | 179.7 | 0 | 122 | | |
| 41 | K | 51.6 | Low | 50.6 | Low | 193 Ų | 193 | 128.9 Ų | 128.9 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | 70.6 | 105.8 | 148 | -62.5 | -177.5 | -168.2 | -78.6 | 0 | 118.2 | | |
| 42 | A | 47.6 | Very low | 50.9 | Low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | | -166.3 | 131.9 | 109.1 | 0 | 0 | 0 | 0 | 0 | 108 | V44 | A42-V44 HydrophobicContact CB-CG2 4.38Å; A42-V44 PolarHBondContact O-N 3.13Å; A42-V44 VanDerWaalsContact C-N 3.27Å |
| 43 | K | 53.3 | Low | 51.4 | Low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -63.4 | 97.2 | 159.6 | -109.9 | 179.1 | 167.8 | -174.3 | 0 | 105.4 | E45 | K43-E45 PolarHBondContact O-N 3.19Š|
| 44 | V | 47.3 | Very low | 51.9 | Low | 105 Ų | 105 | 137.4 Ų | 137.4 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -86.8 | 82.8 | 160.9 | 174.9 | 0 | 0 | 0 | 0 | 105.1 | A42 H46 | A42-V44 HydrophobicContact CB-CG2 4.38Å; A42-V44 PolarHBondContact O-N 3.13Å; A42-V44 VanDerWaalsContact C-N 3.27Å; V44-H46 HydrophobicContact CG1-CB 3.83Å; V44-H46 WeakPolarHBondContact CG1-CD2 3.37Å; V44-H46 PolarHBondContact O-N 3.18Å |
| 45 | E | 49.1 | Very low | 52.3 | Low | 153 Ų | 153 | 137.7 Ų | 137.7 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | | | trans | -67.7 | 68.2 | 154.7 | -67.3 | -83 | 146.1 | 0 | 0 | 106.5 | K43 G47 | K43-E45 PolarHBondContact O-N 3.19Å; E45-G47 PolarHBondContact O-N 3.29Å; E45-G47 VanDerWaalsContact O-N 3.09Å |
| 46 | H | 46.3 | Very low | 52.8 | Low | 170 Ų | 170 | 136.4 Ų | 136.4 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | trans | -81.7 | 81.7 | 154.2 | -93.2 | -54.7 | 0 | 0 | 0 | 105.7 | V44 G48 | V44-H46 HydrophobicContact CG1-CB 3.83Å; V44-H46 WeakPolarHBondContact CG1-CD2 3.37Å; V44-H46 PolarHBondContact O-N 3.18Å; H46-G48 PolarHBondContact O-N 3.08Å |
| 47 | G | 42.9 | Very low | 53.1 | Low | 56 Ų | 56 | 138 Ų | 138 | 58% | 0.577 | 77% | 0.771 | S | S | * | * | | | trans | -38.9 | 124.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E45 S49 | E45-G47 PolarHBondContact O-N 3.29Å; E45-G47 VanDerWaalsContact O-N 3.09Å; G47-S49 PolarHBondContact O-N 3.31Å |
| 48 | G | 52.7 | Low | 53.9 | Low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -48.3 | 110 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | H46 S50 | H46-G48 PolarHBondContact O-N 3.08Å; G48-S50 PolarHBondContact O-N 2.97Å |
| 49 | S | 52 | Low | 54.3 | Low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -62.2 | 111.7 | 178.7 | -149.6 | 0 | 0 | 0 | 0 | 106.6 | G47 | G47-S49 PolarHBondContact O-N 3.31Š|
| 50 | S | 55.1 | Low | 54.7 | Low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | 0.2 | 116.5 | 166.3 | -171 | 0 | 0 | 0 | 0 | 114.7 | G48 S52 | G48-S50 PolarHBondContact O-N 2.97Å; S50-S52 PolarHBondContact O-N 2.74Å |
| 51 | G | 56 | Low | 54.7 | Low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | -57 | 110.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 52 | S | 56.7 | Low | 54.6 | Low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -95.2 | 102 | 155.9 | -69.8 | 0 | 0 | 0 | 0 | 107 | S50 Q54 | S50-S52 PolarHBondContact O-N 2.74Å; S52-Q54 PolarHBondContact O-N 3.06Å; S52-Q54 VanDerWaalsContact O-N 3.14Å |
| 53 | K | 63 | Low | 55 | Low | 212 Ų | 212 | 131.1 Ų | 131.1 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | | | trans | -56.8 | 112.7 | 163.9 | -63.1 | -174.2 | 179.1 | -176.3 | 0 | 107.2 | | |
| 54 | Q | 57.1 | Low | 55.1 | Low | 182 Ų | 182 | 127.9 Ų | 127.9 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -121.1 | 96.3 | 150.5 | 176.8 | 154.4 | -6 | 0 | 0 | 108 | S52 | S52-Q54 PolarHBondContact O-N 3.06Å; S52-Q54 VanDerWaalsContact O-N 3.14Å |
| 55 | N | 55.9 | Low | 55.5 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | | | trans | 9.7 | 122.9 | 142.7 | -157.5 | 3.2 | 0 | 0 | 0 | 116.6 | D57 | N55-D57 PolarHBondContact OD1-N 3.21Å; N55-D57 PolarHBondContact OD1-OD2 2.85Å |
| 56 | S | 53.7 | Low | 55.9 | Low | 88 Ų | 88 | 127.8 Ų | 127.8 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | | | trans | -156.5 | 89.5 | 132.6 | -67.1 | 0 | 0 | 0 | 0 | 106.6 | H58 | S56-H58 WeakPolarHBondContact CB-CE1 3.43Å; S56-H58 WeakPolarHBondContact CB-ND1 3.44Å; S56-H58 PolarHBondContact O-N 2.91Å; S56-H58 PolarHBondContact O-ND1 3.26Å |
| 57 | D | 52.9 | Low | 56.5 | Low | 143 Ų | 143 | 125.2 Ų | 125.2 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | -52.8 | 94.4 | 156.1 | -68.1 | -61.9 | 0 | 0 | 0 | 107.9 | N55 N59 | N55-D57 PolarHBondContact OD1-N 3.21Å; N55-D57 PolarHBondContact OD1-OD2 2.85Å; D57-N59 PolarHBondContact O-N 3.09Å |
| 58 | H | 65.1 | Low | 57.4 | Low | 164 Ų | 164 | 129.8 Ų | 129.8 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | -81 | 71 | 167.7 | -68.3 | 58.1 | 0 | 0 | 0 | 106.4 | S56 N60 | S56-H58 WeakPolarHBondContact CB-CE1 3.43Å; S56-H58 WeakPolarHBondContact CB-ND1 3.44Å; S56-H58 PolarHBondContact O-N 2.91Å; S56-H58 PolarHBondContact O-ND1 3.26Å; H58-N60 PolarHBondContact O-N 2.96Å |
| 59 | N | 66 | Low | 57.7 | Low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -73.1 | 81.8 | 164.6 | -165.7 | 33 | 0 | 0 | 0 | 107.1 | D57 | D57-N59 PolarHBondContact O-N 3.09Š|
| 60 | N | 64.9 | Low | 58.2 | Low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | | | trans | -96.8 | 87.8 | 164.4 | -160.6 | 25.9 | 0 | 0 | 0 | 107.3 | H58 | H58-N60 PolarHBondContact O-N 2.96Š|
| 61 | G | 59.3 | Low | 58.4 | Low | 57 Ų | 57 | 137.2 Ų | 137.2 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | | | trans | -68.7 | 130.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 62 | S | 50.7 | Low | 58.7 | Low | 194 Ų | 194 | 142.7 Ų | 142.7 | 100% | 1.357 | 81% | 0.807 | S | S | * | * | | | trans | -152.9 | 0 | 152.4 | -71.1 | 0 | 0 | 0 | 0 | 107.7 | | |