| 1 | M | 54.6 | Low | 59.7 | Low | 226 Ų | 226 | 144.8 Ų | 144.8 | 100% | 1.113 | 74% | 0.741 | S | S | * | * | | | | 0 | 105.7 | 0 | -70.3 | 157.1 | 173.5 | 0 | 0 | 105.7 | E3 | M1-E3 PolarHBondContact O-N 3.08Š|
| 2 | N | 53.5 | Low | 59.5 | Low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | | | trans | -83.1 | 91.1 | -175 | -76.7 | -15.9 | 0 | 0 | 0 | 108.9 | V4 | N2-V4 PolarHBondContact O-N 3.18Å; N2-V4 VanDerWaalsContact O-N 3.08Å |
| 3 | E | 54.9 | Low | 59.3 | Low | 152 Ų | 152 | 138.5 Ų | 138.5 | 71% | 0.71 | 72% | 0.72 | S | S | * | * | | | trans | -74.4 | 95.8 | 171.4 | -68.7 | 175.5 | 114.3 | 0 | 0 | 108.5 | M1 H5 | M1-E3 PolarHBondContact O-N 3.08Å; E3-H5 VanDerWaalsContact C-N 3.28Å; E3-H5 PolarHBondContact O-N 2.95Å; E3-H5 PolarHBondContact O-ND1 2.86Å |
| 4 | V | 61.1 | Low | 59.2 | Low | 121 Ų | 121 | 134.5 Ų | 134.5 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | | | trans | -67 | 93.2 | 167.4 | 175.7 | 0 | 0 | 0 | 0 | 106.9 | N2 T6 | N2-V4 PolarHBondContact O-N 3.18Å; N2-V4 VanDerWaalsContact O-N 3.08Å; V4-T6 VanDerWaalsContact C-N 3.27Å; V4-T6 HydrophobicContact CG1-CG2 4.3Å; V4-T6 PolarHBondContact O-N 3.09Å |
| 5 | H | 60.8 | Low | 59.1 | Low | 150 Ų | 150 | 136.5 Ų | 136.5 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | | | trans | -71.5 | 87.8 | 169.6 | -65.2 | 86.4 | 0 | 0 | 0 | 107.9 | E3 R7 | E3-H5 VanDerWaalsContact C-N 3.28Å; E3-H5 PolarHBondContact O-N 2.95Å; E3-H5 PolarHBondContact O-ND1 2.86Å; H5-R7 VanDerWaalsContact C-N 3.27Å; H5-R7 PolarHBondContact O-N 2.93Å |
| 6 | T | 62.7 | Low | 59.1 | Low | 124 Ų | 124 | 135.6 Ų | 135.6 | 76% | 0.761 | 72% | 0.718 | S | S | * | * | | | trans | -60.2 | 93.7 | 164 | 36.1 | 0 | 0 | 0 | 0 | 107.9 | V4 | V4-T6 VanDerWaalsContact C-N 3.27Å; V4-T6 HydrophobicContact CG1-CG2 4.3Å; V4-T6 PolarHBondContact O-N 3.09Å |
| 7 | R | 64.7 | Low | 58.9 | Low | 222 Ų | 222 | 137.8 Ų | 137.8 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | | | trans | -57.6 | 130.1 | 170.2 | -67.4 | -178.9 | 82.7 | -177.8 | 5.5 | 107.5 | H5 N9 | H5-R7 VanDerWaalsContact C-N 3.27Å; H5-R7 PolarHBondContact O-N 2.93Å; R7-N9 PolarHBondContact O-N 2.94Å |
| 8 | P | 63.3 | Low | 58.4 | Low | 99 Ų | 99 | 133.6 Ų | 133.6 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | | | trans | -60.2 | 130.7 | 171.7 | 23 | -29.1 | 0 | 0 | 0 | 108.5 | T10 | P8-T10 PolarHBondContact O-N 3.22Š|
| 9 | N | 63.2 | Low | 58.4 | Low | 88 Ų | 88 | 131.2 Ų | 131.2 | 47% | 0.471 | 72% | 0.722 | S | S | . | * | | | trans | -62.2 | 99.7 | 177.6 | 178 | -85.8 | 0 | 0 | 0 | 108.5 | R7 E11 A12 | R7-N9 PolarHBondContact O-N 2.94Å; N9-E11 PolarHBondContact ND2-OE2 2.83Å; N9-E11 VanDerWaalsContact ND2-OE2 3.09Å; N9-E11 PolarHBondContact O-N 3.41Å; N9-E11 WeakPolarHBondContact OD1-CB 3.37Å; N9-E11 PolarHBondContact OD1-N 3.18Å; N9-A12 PolarHBondContact O-N 2.94Å; N9-A12 WeakPolarHBondContact OD1-CB 3.4Å; N9-A12 PolarHBondContact OD1-N 3.31Å |
| 10 | T | 59.5 | Low | 58.3 | Low | 107 Ų | 107 | 130.4 Ų | 130.4 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -63.3 | -18.8 | -179.2 | -23.5 | 0 | 0 | 0 | 0 | 112.1 | P8 Q13 S14 | P8-T10 PolarHBondContact O-N 3.22Å; T10-Q13 PolarHBondContact O-N 3.32Å; T10-S14 PolarHBondContact O-N 3.49Å |
| 11 | E | 58.6 | Low | 58.2 | Low | 141 Ų | 141 | 132.9 Ų | 132.9 | 66% | 0.659 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -72.1 | -32.9 | 178.8 | -52.2 | 174.3 | 121.9 | 0 | 0 | 111.7 | N9 Q13 | N9-E11 PolarHBondContact ND2-OE2 2.83Å; N9-E11 VanDerWaalsContact ND2-OE2 3.09Å; N9-E11 PolarHBondContact O-N 3.41Å; N9-E11 WeakPolarHBondContact OD1-CB 3.37Å; N9-E11 PolarHBondContact OD1-N 3.18Å; E11-Q13 VanDerWaalsContact C-N 3.32Å |
| 12 | A | 56.9 | Low | 58.4 | Low | 66 Ų | 66 | 126 Ų | 126 | 55% | 0.545 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -75.1 | -19.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | N9 | N9-A12 PolarHBondContact O-N 2.94Å; N9-A12 WeakPolarHBondContact OD1-CB 3.4Å; N9-A12 PolarHBondContact OD1-N 3.31Å |
| 13 | Q | 57.1 | Low | 58.3 | Low | 141 Ų | 141 | 127.4 Ų | 127.4 | 66% | 0.659 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -90.4 | -15.6 | 177.2 | -66.1 | -165.3 | -11.4 | 0 | 0 | 113.5 | T10 E11 M15 | T10-Q13 PolarHBondContact O-N 3.32Å; E11-Q13 VanDerWaalsContact C-N 3.32Å; Q13-M15 VanDerWaalsContact C-N 3.32Å; Q13-M15 PolarHBondContact O-N 3.4Å |
| 14 | S | 57.9 | Low | 58.5 | Low | 83 Ų | 83 | 124.6 Ų | 124.6 | 58% | 0.58 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -74.9 | -20.4 | 178.9 | -165.4 | 0 | 0 | 0 | 0 | 113.2 | T10 V16 | T10-S14 PolarHBondContact O-N 3.49Å; S14-V16 VanDerWaalsContact C-N 3.3Å; S14-V16 PolarHBondContact O-N 3.39Å |
| 15 | M | 57.6 | Low | 58.7 | Low | 164 Ų | 164 | 121.8 Ų | 121.8 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -82.7 | 1 | -172.9 | -58.8 | -166.5 | -166.5 | 0 | 0 | 115 | Q13 | Q13-M15 VanDerWaalsContact C-N 3.32Å; Q13-M15 PolarHBondContact O-N 3.4Å |
| 16 | V | 59.5 | Low | 59 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -93.7 | 2.3 | -178.2 | -151 | 0 | 0 | 0 | 0 | 112.6 | S14 G18 | S14-V16 VanDerWaalsContact C-N 3.3Å; S14-V16 PolarHBondContact O-N 3.39Å; V16-G18 PolarHBondContact O-N 3.32Å |
| 17 | M | 55.2 | Low | 59.3 | Low | 173 Ų | 173 | 116.4 Ų | 116.4 | 85% | 0.852 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -99.7 | 63.1 | -177.4 | -160.7 | 170.6 | 48.1 | 0 | 0 | 110.4 | | |
| 18 | G | 50.3 | Low | 59.4 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | | | trans | -179.1 | 31.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V16 P20 | V16-G18 PolarHBondContact O-N 3.32Å; G18-P20 WeakPolarHBondContact O-CD 3.37Å |
| 19 | A | 58 | Low | 59.6 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | | | trans | -60.6 | 120.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106 | E21 | A19-E21 PolarHBondContact O-N 2.75Å; A19-E21 VanDerWaalsContact O-N 3.11Å |
| 20 | P | 57.3 | Low | 59.8 | Low | 114 Ų | 114 | 108 Ų | 108 | 74% | 0.74 | 65% | 0.648 | S | S | * | * | | | trans | -55 | 126.7 | 170.1 | 24.1 | -30.8 | 0 | 0 | 0 | 105.5 | G18 A22 | G18-P20 WeakPolarHBondContact O-CD 3.37Å; P20-A22 VanDerWaalsContact C-N 3.26Å; P20-A22 PolarHBondContact O-N 2.75Å |
| 21 | E | 55.7 | Low | 60.4 | Low | 184 Ų | 184 | 105.5 Ų | 105.5 | 86% | 0.86 | 64% | 0.639 | S | S | * | * | | | trans | -48.3 | 108 | 162 | -67.6 | -172.5 | 117 | 0 | 0 | 104.1 | A19 E23 | A19-E21 PolarHBondContact O-N 2.75Å; A19-E21 VanDerWaalsContact O-N 3.11Å; E21-E23 VanDerWaalsContact C-N 3.3Å; E21-E23 PolarHBondContact O-N 2.77Å |
| 22 | A | 58.3 | Low | 60.9 | Low | 82 Ų | 82 | 104 Ų | 104 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | | | trans | -57.4 | 107.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | P20 T24 | P20-A22 VanDerWaalsContact C-N 3.26Å; P20-A22 PolarHBondContact O-N 2.75Å; A22-T24 PolarHBondContact O-N 3.42Å |
| 23 | E | 52.4 | Low | 61.3 | Low | 192 Ų | 192 | 103.9 Ų | 103.9 | 90% | 0.897 | 63% | 0.632 | S | S | * | * | | | trans | -62.8 | 92.9 | 175.7 | -69.6 | -165.8 | 125.8 | 0 | 0 | 104.5 | E21 S25 | E21-E23 VanDerWaalsContact C-N 3.3Å; E21-E23 PolarHBondContact O-N 2.77Å; E23-S25 PolarHBondContact O-N 3.11Å |
| 24 | T | 59.5 | Low | 61.5 | Low | 93 Ų | 93 | 104.1 Ų | 104.1 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | | | trans | -62.8 | 94.7 | 171.5 | 4.4 | 0 | 0 | 0 | 0 | 104.6 | A22 M32 | A22-T24 PolarHBondContact O-N 3.42Å; T24-M32 HydrophobicContact CG2-CE 3.85Å |
| 25 | S | 64.4 | Low | 61.8 | Low | 62 Ų | 62 | 104.9 Ų | 104.9 | 43% | 0.434 | 63% | 0.632 | S | S | . | * | | | trans | -49.7 | 139.5 | 171.5 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | E23 A27 A28 A29 | E23-S25 PolarHBondContact O-N 3.11Å; S25-A27 PolarHBondContact O-N 3.02Å; S25-A28 WeakPolarHBondContact O-CA 3.37Å; S25-A28 WeakPolarHBondContact O-CB 3.41Å; S25-A28 PolarHBondContact O-N 2.89Å; S25-A29 PolarHBondContact O-N 3.35Å |
| 26 | P | 66.4 | Low | 61.8 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -52.1 | -30.5 | 175.7 | 17.5 | -29.8 | 0 | 0 | 0 | 111.8 | A29 E30 | P26-A29 PolarHBondContact O-N 2.95Å; P26-E30 WeakPolarHBondContact O-CB 3.32Å; P26-E30 WeakPolarHBondContact O-CG 3.39Å; P26-E30 PolarHBondContact O-N 2.78Å |
| 27 | A | 69.1 | Low | 61.7 | Low | 62 Ų | 62 | 97.3 Ų | 97.3 | 51% | 0.512 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.7 | -36.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S25 A31 | S25-A27 PolarHBondContact O-N 3.02Å; A27-A31 WeakPolarHBondContact O-CB 3.47Å; A27-A31 PolarHBondContact O-N 3.38Å |
| 28 | A | 67.8 | Low | 61.6 | Low | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.1 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S25 A31 M32 | S25-A28 WeakPolarHBondContact O-CA 3.37Å; S25-A28 WeakPolarHBondContact O-CB 3.41Å; S25-A28 PolarHBondContact O-N 2.89Å; A28-A31 PolarHBondContact O-N 3.08Å; A28-M32 WeakPolarHBondContact O-CG 3.39Å; A28-M32 PolarHBondContact O-N 2.98Å |
| 29 | A | 67.9 | Low | 61.8 | Low | 47 Ų | 47 | 98.7 Ų | 98.7 | 39% | 0.388 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.7 | -43.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S25 P26 M32 A33 | S25-A29 PolarHBondContact O-N 3.35Å; P26-A29 PolarHBondContact O-N 2.95Å; A29-M32 PolarHBondContact O-N 3.32Å; A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 2.68Å |
| 30 | E | 67.1 | Low | 61.6 | Low | 143 Ų | 143 | 102.9 Ų | 102.9 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.4 | -39.7 | 173.9 | -76 | -179.5 | 176.9 | 0 | 0 | 112.2 | P26 A33 K34 | P26-E30 WeakPolarHBondContact O-CB 3.32Å; P26-E30 WeakPolarHBondContact O-CG 3.39Å; P26-E30 PolarHBondContact O-N 2.78Å; E30-A33 PolarHBondContact O-N 3.38Å; E30-K34 WeakPolarHBondContact O-CB 3.33Å; E30-K34 PolarHBondContact O-N 3.42Å |
| 31 | A | 70.5 | Confident | 61.4 | Low | 56 Ų | 56 | 104.5 Ų | 104.5 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.5 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A27 A28 K34 V35 | A27-A31 WeakPolarHBondContact O-CB 3.47Å; A27-A31 PolarHBondContact O-N 3.38Å; A28-A31 PolarHBondContact O-N 3.08Å; A31-K34 PolarHBondContact O-N 3.4Å; A31-V35 WeakPolarHBondContact O-CG2 3.47Å; A31-V35 PolarHBondContact O-N 3.19Å; A31-V35 VanDerWaalsContact O-N 3.08Å |
| 32 | M | 69.4 | Low | 61.2 | Low | 109 Ų | 109 | 99.9 Ų | 99.9 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.3 | -37.6 | 175.6 | -71.1 | -169.6 | -67.1 | 0 | 0 | 112.4 | T24 A28 A29 K34 V35 C36 | T24-M32 HydrophobicContact CG2-CE 3.85Å; A28-M32 WeakPolarHBondContact O-CG 3.39Å; A28-M32 PolarHBondContact O-N 2.98Å; A29-M32 PolarHBondContact O-N 3.32Å; M32-K34 VanDerWaalsContact C-N 3.28Å; M32-K34 PolarHBondContact O-N 3.41Å; M32-V35 PolarHBondContact O-N 3.17Å; M32-C36 WeakPolarHBondContact O-CB 3.41Å; M32-C36 PolarHBondContact O-N 3.04Å |
| 33 | A | 66.7 | Low | 61 | Low | 63 Ų | 63 | 100.7 Ų | 100.7 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.2 | -36.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A29 E30 G37 | A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 2.68Å; E30-A33 PolarHBondContact O-N 3.38Å; A33-G37 PolarHBondContact O-N 3.31Å |
| 34 | K | 60.8 | Low | 60.9 | Low | 146 Ų | 146 | 100.9 Ų | 100.9 | 64% | 0.635 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.4 | -43.5 | 176.5 | -163.5 | 169.1 | -178.1 | -177 | 0 | 112 | E30 A31 M32 G37 E38 | E30-K34 WeakPolarHBondContact O-CB 3.33Å; E30-K34 PolarHBondContact O-N 3.42Å; A31-K34 PolarHBondContact O-N 3.4Å; M32-K34 VanDerWaalsContact C-N 3.28Å; M32-K34 PolarHBondContact O-N 3.41Å; K34-G37 PolarHBondContact O-N 2.92Å; K34-E38 PolarHBondContact O-N 2.92Å; K34-E38 VanDerWaalsContact O-N 3.17Å |
| 35 | V | 63.4 | Low | 60.5 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 61% | 0.606 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.8 | -43.3 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | A31 M32 | A31-V35 WeakPolarHBondContact O-CG2 3.47Å; A31-V35 PolarHBondContact O-N 3.19Å; A31-V35 VanDerWaalsContact O-N 3.08Å; M32-V35 PolarHBondContact O-N 3.17Å |
| 36 | C | 58.7 | Low | 60 | Low | 87 Ų | 87 | 100.4 Ų | 100.4 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.7 | -21.7 | 178.2 | -75.4 | 0 | 0 | 0 | 0 | 114.1 | M32 | M32-C36 WeakPolarHBondContact O-CB 3.41Å; M32-C36 PolarHBondContact O-N 3.04Å |
| 37 | G | 56.8 | Low | 59.4 | Low | 40 Ų | 40 | 98.7 Ų | 98.7 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -80.9 | -36 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | A33 K34 E39 K40 | A33-G37 PolarHBondContact O-N 3.31Å; K34-G37 PolarHBondContact O-N 2.92Å; G37-E39 VanDerWaalsContact C-N 3.31Å; G37-E39 PolarHBondContact O-N 2.85Å; G37-K40 PolarHBondContact O-N 3.44Å |
| 38 | E | 53.9 | Low | 58.6 | Low | 125 Ų | 125 | 99.9 Ų | 99.9 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.4 | -27.6 | -177 | -80 | -178.1 | 72.7 | 0 | 0 | 113.1 | K34 K40 E41 S42 | K34-E38 PolarHBondContact O-N 2.92Å; K34-E38 VanDerWaalsContact O-N 3.17Å; E38-K40 VanDerWaalsContact C-N 3.32Å; E38-K40 PolarHBondContact O-N 3.35Å; E38-E41 PolarHBondContact O-N 2.88Å; E38-S42 PolarHBondContact O-N 2.96Å |
| 39 | E | 53.5 | Low | 57.9 | Low | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.8 | -29.1 | 179.6 | -49.5 | -161.6 | 121.3 | 0 | 0 | 112.8 | G37 T43 | G37-E39 VanDerWaalsContact C-N 3.31Å; G37-E39 PolarHBondContact O-N 2.85Å; E39-T43 PolarHBondContact O-OG1 3.17Å |
| 40 | K | 54.1 | Low | 57.1 | Low | 175 Ų | 175 | 103.9 Ų | 103.9 | 76% | 0.761 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.7 | -25.8 | 179.2 | -73.8 | -173.6 | 172.7 | 173.5 | 0 | 113 | G37 E38 | G37-K40 PolarHBondContact O-N 3.44Å; E38-K40 VanDerWaalsContact C-N 3.32Å; E38-K40 PolarHBondContact O-N 3.35Å |
| 41 | E | 52.2 | Low | 56.2 | Low | 149 Ų | 149 | 102.4 Ų | 102.4 | 70% | 0.696 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -83.5 | -38.8 | 177.2 | -162.1 | 155.1 | 115.8 | 0 | 0 | 111.7 | E38 T43 R44 T45 | E38-E41 PolarHBondContact O-N 2.88Å; E41-T43 PolarHBondContact O-N 3.17Å; E41-R44 PolarHBondContact O-N 3.42Å; E41-R44 VanDerWaalsContact O-N 3.15Å; E41-T45 PolarHBondContact O-N 2.93Å; E41-T45 PolarHBondContact O-OG1 3.22Å |
| 42 | S | 53.2 | Low | 55.3 | Low | 87 Ų | 87 | 102.5 Ų | 102.5 | 61% | 0.608 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -28.4 | 178.3 | -156.6 | 0 | 0 | 0 | 0 | 113.3 | E38 A46 | E38-S42 PolarHBondContact O-N 2.96Å; S42-A46 PolarHBondContact O-N 3.36Å |
| 43 | T | 52.4 | Low | 54.4 | Low | 99 Ų | 99 | 100.9 Ų | 100.9 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.2 | -30.7 | 177.7 | -41.7 | 0 | 0 | 0 | 0 | 112.3 | E39 E41 A47 | E39-T43 PolarHBondContact O-OG1 3.17Å; E41-T43 PolarHBondContact O-N 3.17Å; T43-A47 WeakPolarHBondContact O-CB 3.45Å; T43-A47 PolarHBondContact O-N 3.09Å; T43-A47 VanDerWaalsContact O-N 3.09Å |
| 44 | R | 51.8 | Low | 53.8 | Low | 196 Ų | 196 | 102.4 Ų | 102.4 | 74% | 0.74 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.7 | -38.6 | 177.3 | -170.6 | 174.6 | 179.5 | 141 | -0.6 | 111.2 | E41 A47 T48 | E41-R44 PolarHBondContact O-N 3.42Å; E41-R44 VanDerWaalsContact O-N 3.15Å; R44-A47 PolarHBondContact O-N 3.35Å; R44-T48 WeakPolarHBondContact O-CB 3.49Å; R44-T48 PolarHBondContact O-N 3.06Å; R44-T48 PolarHBondContact O-OG1 3.21Å |
| 45 | T | 50.1 | Low | 53.1 | Low | 85 Ų | 85 | 98.9 Ų | 98.9 | 52% | 0.521 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.7 | -37 | 179.8 | -25.8 | 0 | 0 | 0 | 0 | 111.7 | E41 T48 T49 | E41-T45 PolarHBondContact O-N 2.93Å; E41-T45 PolarHBondContact O-OG1 3.22Å; T45-T48 PolarHBondContact O-N 3.22Å; T45-T49 WeakPolarHBondContact O-CG2 3.45Å; T45-T49 PolarHBondContact O-N 3.15Å; T45-T49 PolarHBondContact O-OG1 3.13Å |
| 46 | A | 54.2 | Low | 52.4 | Low | 59 Ų | 59 | 99.3 Ų | 99.3 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.4 | -35.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S42 T48 T49 S50 | S42-A46 PolarHBondContact O-N 3.36Å; A46-T48 VanDerWaalsContact C-N 3.34Å; A46-T49 PolarHBondContact O-OG1 3.44Å; A46-S50 WeakPolarHBondContact O-CB 3.41Å; A46-S50 PolarHBondContact O-N 3.13Å; A46-S50 VanDerWaalsContact O-N 3.13Å |
| 47 | A | 53.2 | Low | 51.9 | Low | 62 Ų | 62 | 99 Ų | 99 | 51% | 0.512 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.2 | -31.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T43 R44 N51 | T43-A47 WeakPolarHBondContact O-CB 3.45Å; T43-A47 PolarHBondContact O-N 3.09Å; T43-A47 VanDerWaalsContact O-N 3.09Å; R44-A47 PolarHBondContact O-N 3.35Å; A47-N51 WeakPolarHBondContact O-CB 3.36Å; A47-N51 PolarHBondContact O-N 2.64Å; A47-N51 VanDerWaalsContact O-N 3.13Å |
| 48 | T | 52.6 | Low | 51.2 | Low | 87 Ų | 87 | 104.5 Ų | 104.5 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -78.6 | -33.9 | -179.9 | -46.3 | 0 | 0 | 0 | 0 | 111.8 | R44 T45 A46 A52 | R44-T48 WeakPolarHBondContact O-CB 3.49Å; R44-T48 PolarHBondContact O-N 3.06Å; R44-T48 PolarHBondContact O-OG1 3.21Å; T45-T48 PolarHBondContact O-N 3.22Å; A46-T48 VanDerWaalsContact C-N 3.34Å; T48-A52 WeakPolarHBondContact O-CB 3.18Å; T48-A52 PolarHBondContact O-N 3.04Å; T48-A52 VanDerWaalsContact O-N 3.13Å |
| 49 | T | 53 | Low | 50.7 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.1 | -27.6 | 173.4 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | T45 A46 | T45-T49 WeakPolarHBondContact O-CG2 3.45Å; T45-T49 PolarHBondContact O-N 3.15Å; T45-T49 PolarHBondContact O-OG1 3.13Å; A46-T49 PolarHBondContact O-OG1 3.44Å |
| 50 | S | 51.3 | Low | 50.5 | Low | 77 Ų | 77 | 102.5 Ų | 102.5 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.2 | -40.7 | 173.2 | -165.2 | 0 | 0 | 0 | 0 | 111.2 | A46 A52 A53 V54 | A46-S50 WeakPolarHBondContact O-CB 3.41Å; A46-S50 PolarHBondContact O-N 3.13Å; A46-S50 VanDerWaalsContact O-N 3.13Å; S50-A52 VanDerWaalsContact C-N 3.34Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A53 PolarHBondContact O-N 3.46Å; S50-V54 WeakPolarHBondContact O-CG2 3.49Å; S50-V54 PolarHBondContact O-N 3.4Å |
| 51 | N | 48.5 | Very low | 50.2 | Low | 112 Ų | 112 | 97.5 Ų | 97.5 | 60% | 0.599 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.4 | -22.3 | 178.8 | -146.4 | 16.9 | 0 | 0 | 0 | 113.7 | A47 A53 V54 A55 | A47-N51 WeakPolarHBondContact O-CB 3.36Å; A47-N51 PolarHBondContact O-N 2.64Å; A47-N51 VanDerWaalsContact O-N 3.13Å; N51-A53 VanDerWaalsContact C-N 3.32Å; N51-V54 PolarHBondContact O-N 3.13Å; N51-A55 WeakPolarHBondContact O-CB 3.14Å; N51-A55 PolarHBondContact O-N 3.41Å |
| 52 | A | 50.6 | Low | 50 | Low | 58 Ų | 58 | 97.1 Ų | 97.1 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.2 | -24.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T48 S50 S56 | T48-A52 WeakPolarHBondContact O-CB 3.18Å; T48-A52 PolarHBondContact O-N 3.04Å; T48-A52 VanDerWaalsContact O-N 3.13Å; S50-A52 VanDerWaalsContact C-N 3.34Å; S50-A52 PolarHBondContact O-N 3.49Å; A52-S56 PolarHBondContact O-OG 2.92Å |
| 53 | A | 52.5 | Low | 50 | Low | 75 Ų | 75 | 101.3 Ų | 101.3 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.5 | -25.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S50 N51 | S50-A53 PolarHBondContact O-N 3.46Å; N51-A53 VanDerWaalsContact C-N 3.32Å |
| 54 | V | 53 | Low | 50.2 | Low | 96 Ų | 96 | 101.4 Ų | 101.4 | 58% | 0.582 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -92.8 | -23.2 | 176.4 | -139.8 | 0 | 0 | 0 | 0 | 112.8 | S50 N51 | S50-V54 WeakPolarHBondContact O-CG2 3.49Å; S50-V54 PolarHBondContact O-N 3.4Å; N51-V54 PolarHBondContact O-N 3.13Å |
| 55 | A | 47.1 | Very low | 50.2 | Low | 71 Ų | 71 | 97.7 Ų | 97.7 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.3 | -17 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N51 | N51-A55 WeakPolarHBondContact O-CB 3.14Å; N51-A55 PolarHBondContact O-N 3.41Å |
| 56 | S | 47.3 | Very low | 50.3 | Low | 109 Ų | 109 | 102.3 Ų | 102.3 | 76% | 0.762 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 1.2 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 114 | A52 | A52-S56 PolarHBondContact O-OG 2.92Š|
| 57 | A | 49.1 | Very low | 50.1 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -100.9 | 1.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 58 | H | 42.7 | Very low | 50.2 | Low | 154 Ų | 154 | 119.5 Ų | 119.5 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | | | trans | -104.5 | 66 | 172.5 | -161.7 | -76.9 | 0 | 0 | 0 | 109.5 | P60 | H58-P60 WeakPolarHBondContact O-CD 2.98Š|
| 59 | D | 41.7 | Very low | 50.2 | Low | 112 Ų | 112 | 120.6 Ų | 120.6 | 60% | 0.599 | 69% | 0.691 | S | S | * | * | | | trans | -79.1 | 108.5 | 161.1 | -170.1 | -4.8 | 0 | 0 | 0 | 107.8 | A61 | D59-A61 PolarHBondContact O-N 2.83Å; D59-A61 VanDerWaalsContact O-N 3.16Å; D59-A61 WeakPolarHBondContact OD1-CA 3.44Å; D59-A61 WeakPolarHBondContact OD1-CB 3.2Å; D59-A61 PolarHBondContact OD1-N 3.16Å |
| 60 | P | 50 | Low | 50.3 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 9.4 | 170.7 | 32.7 | -34.3 | 0 | 0 | 0 | 112.5 | H58 D62 | H58-P60 WeakPolarHBondContact O-CD 2.98Å; P60-D62 VanDerWaalsContact C-N 3.28Å |
| 61 | A | 46.8 | Very low | 50.5 | Low | 70 Ų | 70 | 129.7 Ų | 129.7 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 9.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D59 E63 | D59-A61 PolarHBondContact O-N 2.83Å; D59-A61 VanDerWaalsContact O-N 3.16Å; D59-A61 WeakPolarHBondContact OD1-CA 3.44Å; D59-A61 WeakPolarHBondContact OD1-CB 3.2Å; D59-A61 PolarHBondContact OD1-N 3.16Å; A61-E63 PolarHBondContact O-N 3.14Å |
| 62 | D | 49.6 | Very low | 51.1 | Low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | trans | -75.7 | 58.5 | 165.8 | -140.9 | -86.8 | 0 | 0 | 0 | 110.5 | P60 P64 | P60-D62 VanDerWaalsContact C-N 3.28Å; D62-P64 VanDerWaalsContact O-CD 3.26Å; D62-P64 WeakPolarHBondContact O-CD 3.26Å |
| 63 | E | 52.9 | Low | 51.2 | Low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | -69.1 | 112.2 | 158.5 | -113.4 | -94.7 | 114.6 | 0 | 0 | 106.2 | A61 C65 | A61-E63 PolarHBondContact O-N 3.14Å; E63-C65 PolarHBondContact O-N 2.96Å |
| 64 | P | 56.9 | Low | 51.4 | Low | 101 Ų | 101 | 142.5 Ų | 142.5 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | | | trans | -70.7 | 110.9 | -174 | -15.4 | 30.2 | 0 | 0 | 0 | 110.6 | D62 | D62-P64 VanDerWaalsContact O-CD 3.26Å; D62-P64 WeakPolarHBondContact O-CD 3.26Å |
| 65 | C | 51.1 | Low | 51.6 | Low | 118 Ų | 118 | 143.5 Ų | 143.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | 74.5 | 95.6 | 141.4 | -68.4 | 0 | 0 | 0 | 0 | 117.8 | E63 R67 | E63-C65 PolarHBondContact O-N 2.96Å; C65-R67 PolarHBondContact O-N 2.87Å; C65-R67 VanDerWaalsContact O-N 3.14Å |
| 66 | H | 52.9 | Low | 52 | Low | 182 Ų | 182 | 143.9 Ų | 143.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -28.3 | 113.5 | 141.9 | -68.7 | -53.5 | 0 | 0 | 0 | 114.4 | | |
| 67 | R | 48.4 | Very low | 52.6 | Low | 239 Ų | 239 | 144.3 Ų | 144.3 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | | 47.1 | 81.6 | 118.3 | -145.6 | -171.5 | -155.4 | -160.7 | 8.2 | 115.3 | C65 | C65-R67 PolarHBondContact O-N 2.87Å; C65-R67 VanDerWaalsContact O-N 3.14Å |
| 68 | R | 56.8 | Low | 53 | Low | 243 Ų | 243 | 151.4 Ų | 151.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | -129.2 | 100 | 155.4 | -69.1 | -175.6 | 100 | 163.5 | 3.8 | 111.1 | | |
| 69 | S | 51.2 | Low | 53.8 | Low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -3.4 | 134.9 | 147.3 | -62 | 0 | 0 | 0 | 0 | 117.9 | | |
| 70 | T | 56.6 | Low | 54.3 | Low | 130 Ų | 130 | 160 Ų | 160 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | | | | 179.3 | 101.3 | 107.3 | 41.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 71 | R | 55.1 | Low | 54.6 | Low | 234 Ų | 234 | 162.5 Ų | 162.5 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | | | | 28.6 | 107.8 | 108.7 | -73.3 | -168.7 | -159.9 | -170.6 | 6.1 | 114 | | |
| 72 | L | 60.6 | Low | 55 | Low | 154 Ų | 154 | 167.3 Ų | 167.3 | 81% | 0.806 | 85% | 0.848 | S | S | * | * | | | | 154.3 | 112.7 | 115.8 | -83.7 | 148.5 | 0 | 0 | 0 | 111.3 | | |
| 73 | R | 53.5 | Low | 55.3 | Low | 233 Ų | 233 | 168.8 Ų | 168.8 | 88% | 0.879 | 85% | 0.854 | S | S | * | * | | | trans | 21.6 | 117.6 | 139.7 | -65.3 | -179.1 | 163.2 | -170.5 | -5.7 | 116.9 | | |
| 74 | S | 55.8 | Low | 55.4 | Low | 127 Ų | 127 | 168.5 Ų | 168.5 | 89% | 0.888 | 86% | 0.856 | S | S | * | * | | | trans | -143.1 | 110.4 | 131.6 | -132.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 75 | S | 57.5 | Low | 55.3 | Low | 117 Ų | 117 | 172.7 Ų | 172.7 | 82% | 0.818 | 87% | 0.869 | S | S | * | * | | | trans | -69 | 139.6 | 173.4 | 38.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 76 | G | 55.7 | Low | 55.6 | Low | 79 Ų | 79 | 176.3 Ų | 176.3 | 81% | 0.814 | 87% | 0.873 | S | S | * | * | | | trans | 112.3 | 111.3 | 149 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 77 | S | 59.5 | Low | 55.8 | Low | 118 Ų | 118 | 175.9 Ų | 175.9 | 83% | 0.825 | 88% | 0.876 | S | S | * | * | | | | -167.7 | 115.7 | 114.1 | -168.6 | 0 | 0 | 0 | 0 | 109 | | |
| 78 | R | 57.6 | Low | 56.4 | Low | 231 Ų | 231 | 171.1 Ų | 171.1 | 87% | 0.872 | 87% | 0.874 | S | S | * | * | | | trans | -120.7 | 99.9 | 167.4 | -177.6 | -163.4 | -69.9 | -145.2 | 1.7 | 104.8 | | |
| 79 | H | 60.3 | Low | 56.3 | Low | 179 Ų | 179 | 165.1 Ų | 165.1 | 83% | 0.829 | 87% | 0.87 | S | S | * | * | | | trans | -169.2 | 109.4 | 161.8 | -84.9 | 101.5 | 0 | 0 | 0 | 107.3 | | |
| 80 | Q | 52.7 | Low | 56.8 | Low | 269 Ų | 269 | 170.1 Ų | 170.1 | 100% | 1.257 | 88% | 0.879 | S | S | * | * | | | | -174.5 | 0 | 100.4 | -80.6 | -150.9 | 100.4 | 0 | 0 | 108.9 | | |