| 1 | M | 39.2 | Very low | 44.3 | Very low | 242 Ų | 242 | 160.4 Ų | 160.4 | 100% | 1.192 | 85% | 0.849 | S | S | * | * | | | | 0 | 118.3 | 0 | -71.1 | 178.2 | -172.1 | 0 | 0 | 107.7 | | |
| 2 | V | 45.8 | Very low | 44.7 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | | | trans | 25.9 | 115 | 156.2 | -171.8 | 0 | 0 | 0 | 0 | 119 | | |
| 3 | L | 45.5 | Very low | 44.7 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | trans | -83.9 | 149.4 | 153.6 | -92.4 | 93.9 | 0 | 0 | 0 | 110 | | |
| 4 | P | 47.7 | Very low | 44.8 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | trans | -76.7 | 144.4 | -177.2 | 31.1 | -32.6 | 0 | 0 | 0 | 112.9 | | |
| 5 | D | 35.8 | Very low | 44.9 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | | | trans | -85.9 | 114.3 | -176.8 | -155.9 | -74.7 | 0 | 0 | 0 | 110.1 | | |
| 6 | E | 50.2 | Low | 45.3 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -134.4 | 92 | 164.5 | -96.9 | -116.1 | 102.5 | 0 | 0 | 107.7 | | |
| 7 | K | 37.9 | Very low | 45.4 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | | | trans | -150.9 | 94.7 | 154.5 | -154 | 143.6 | -172.9 | 172.2 | 0 | 113 | | |
| 8 | S | 45.3 | Very low | 45.6 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | | 40 | 103 | 126.7 | -37.5 | 0 | 0 | 0 | 0 | 116.6 | P10 | S8-P10 WeakPolarHBondContact O-CD 2.88Š|
| 9 | R | 52.8 | Low | 45.6 | Very low | 245 Ų | 245 | 147.1 Ų | 147.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | | | trans | -56.7 | 138.3 | 153.4 | -72.5 | 179.4 | -169.1 | -169.3 | 2.1 | 109.5 | | |
| 10 | P | 40.6 | Very low | 45.7 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | | -116.1 | 127.9 | 123.2 | -3.4 | 22.7 | 0 | 0 | 0 | 109.8 | S8 A12 | S8-P10 WeakPolarHBondContact O-CD 2.88Å; P10-A12 PolarHBondContact O-N 2.91Å |
| 11 | S | 46.2 | Very low | 45.7 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -33.8 | 118.4 | 162.9 | 32.8 | 0 | 0 | 0 | 0 | 113 | | |
| 12 | A | 49.6 | Very low | 46.3 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -62.2 | 132.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P10 S14 | P10-A12 PolarHBondContact O-N 2.91Å; A12-S14 PolarHBondContact O-N 3.05Å |
| 13 | P | 44.2 | Very low | 46 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | | | trans | -67.4 | 121.9 | 169.9 | 27.4 | -29.8 | 0 | 0 | 0 | 108.3 | N15 | P13-N15 PolarHBondContact O-N 3.21Š|
| 14 | S | 46.7 | Very low | 46.1 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | -60.2 | 106.9 | 169.2 | 56.6 | 0 | 0 | 0 | 0 | 108.5 | A12 I16 | A12-S14 PolarHBondContact O-N 3.05Å; S14-I16 PolarHBondContact O-N 3.49Å |
| 15 | N | 46.3 | Very low | 46 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | -73.7 | 79.3 | 172.7 | -55.4 | -61.4 | 0 | 0 | 0 | 108.5 | P13 | P13-N15 PolarHBondContact O-N 3.21Š|
| 16 | I | 51 | Low | 46.7 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 65% | 0.651 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -63 | 126.5 | 161.7 | -61.1 | 172.3 | 0 | 0 | 0 | 106 | S14 E18 | S14-I16 PolarHBondContact O-N 3.49Å; I16-E18 PolarHBondContact O-N 2.98Å |
| 17 | P | 47.1 | Very low | 46.4 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 118.2 | 171.8 | -24 | 33.3 | 0 | 0 | 0 | 108.4 | R19 | P17-R19 PolarHBondContact O-N 3.04Š|
| 18 | E | 48.4 | Very low | 47.3 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 53% | 0.533 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 138.1 | -165.8 | -62.6 | 177.7 | 96.7 | 0 | 0 | 112.4 | I16 R20 | I16-E18 PolarHBondContact O-N 2.98Å; E18-R20 HydrophobicContact CB-CB 3.42Å; E18-R20 VanDerWaalsContact CB-CB 3.42Å; E18-R20 HydrophobicContact CG-CB 4.21Å; E18-R20 PolarHBondContact O-N 3.45Å; E18-R20 IonicContact OE1-CZ 2.82Å; E18-R20 IonicContact OE1-NE 2.92Å; E18-R20 PolarHBondContact OE1-NE 3.35Å; E18-R20 IonicContact OE1-NH1 3.1Å; E18-R20 PolarHBondContact OE1-NH1 3.35Å; E18-R20 VanDerWaalsContact OE1-NH1 3.1Å; E18-R20 IonicContact OE1-NH2 3.32Å; E18-R20 PolarHBondContact OE1-NH2 3.4Å; E18-R20 WeakPolarHBondContact OE2-CD 3.33Å; E18-R20 IonicContact OE2-CZ 3.16Å; E18-R20 IonicContact OE2-NE 3.27Å; E18-R20 PolarHBondContact OE2-NE 3.44Å; E18-R20 IonicContact OE2-NH1 2.65Å; E18-R20 PolarHBondContact OE2-NH1 3.17Å |
| 19 | R | 47.1 | Very low | 47.7 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | | | trans | -63.8 | 48 | 147.1 | -72 | -162.7 | 171.5 | -166.8 | 0.1 | 111.3 | P17 S21 | P17-R19 PolarHBondContact O-N 3.04Å; R19-S21 VanDerWaalsContact C-N 3.28Å |
| 20 | R | 46.5 | Very low | 47.9 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 62% | 0.623 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -83.1 | -4.5 | 177.3 | -179.5 | 172 | -92.7 | 158.9 | -10.6 | 112.2 | E18 L22 | E18-R20 HydrophobicContact CB-CB 3.42Å; E18-R20 VanDerWaalsContact CB-CB 3.42Å; E18-R20 HydrophobicContact CG-CB 4.21Å; E18-R20 PolarHBondContact O-N 3.45Å; E18-R20 IonicContact OE1-CZ 2.82Å; E18-R20 IonicContact OE1-NE 2.92Å; E18-R20 PolarHBondContact OE1-NE 3.35Å; E18-R20 IonicContact OE1-NH1 3.1Å; E18-R20 PolarHBondContact OE1-NH1 3.35Å; E18-R20 VanDerWaalsContact OE1-NH1 3.1Å; E18-R20 IonicContact OE1-NH2 3.32Å; E18-R20 PolarHBondContact OE1-NH2 3.4Å; E18-R20 WeakPolarHBondContact OE2-CD 3.33Å; E18-R20 IonicContact OE2-CZ 3.16Å; E18-R20 IonicContact OE2-NE 3.27Å; E18-R20 PolarHBondContact OE2-NE 3.44Å; E18-R20 IonicContact OE2-NH1 2.65Å; E18-R20 PolarHBondContact OE2-NH1 3.17Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3Å |
| 21 | S | 46.6 | Very low | 48.7 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -76.3 | -13.2 | 174.9 | -165.2 | 0 | 0 | 0 | 0 | 114.6 | R19 | R19-S21 VanDerWaalsContact C-N 3.28Š|
| 22 | L | 50.9 | Low | 49.4 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -105.6 | 3.9 | -179.1 | -72 | 170.2 | 0 | 0 | 0 | 114.5 | R20 | R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3Å |
| 23 | R | 40.7 | Very low | 50 | Low | 220 Ų | 220 | 124.7 Ų | 124.7 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | | | trans | -108.2 | 17.3 | 177.7 | -149 | -172.7 | 177.3 | -175.1 | -0.9 | 113.2 | Q25 | R23-Q25 PolarHBondContact O-N 3.4Š|
| 24 | H | 46.2 | Very low | 50.9 | Low | 173 Ų | 173 | 122 Ų | 122 | 80% | 0.801 | 64% | 0.641 | S | S | * | * | | | trans | -85.9 | 60 | 151.2 | -73.9 | -63.2 | 0 | 0 | 0 | 108.5 | N26 | H24-N26 PolarHBondContact O-N 3.32Š|
| 25 | Q | 45.8 | Very low | 51.8 | Low | 143 Ų | 143 | 119.6 Ų | 119.6 | 67% | 0.668 | 63% | 0.627 | S | S | * | * | | | trans | -68.5 | 101.2 | 170 | -76.9 | -89.3 | -11.1 | 0 | 0 | 107.6 | R23 L27 | R23-Q25 PolarHBondContact O-N 3.4Å; Q25-L27 PolarHBondContact O-N 2.94Å |
| 26 | N | 49.8 | Very low | 52.7 | Low | 123 Ų | 123 | 116 Ų | 116 | 66% | 0.658 | 61% | 0.613 | S | S | * | * | | | trans | 52.8 | 63.8 | 141.6 | -61.5 | -69.3 | 0 | 0 | 0 | 116.4 | H24 P28 | H24-N26 PolarHBondContact O-N 3.32Å; N26-P28 VanDerWaalsContact C-CD 3.46Å; N26-P28 WeakPolarHBondContact O-CD 3.16Å |
| 27 | L | 45.3 | Very low | 53.6 | Low | 153 Ų | 153 | 110.3 Ų | 110.3 | 80% | 0.801 | 59% | 0.585 | S | S | * | * | | | trans | -87 | 97 | 137.3 | -68.6 | 173.3 | 0 | 0 | 0 | 105 | Q25 S29 | Q25-L27 PolarHBondContact O-N 2.94Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.07Å |
| 28 | P | 55.8 | Low | 54.6 | Low | 91 Ų | 91 | 107.9 Ų | 107.9 | 59% | 0.591 | 57% | 0.566 | S | S | * | * | | | trans | -58.4 | 106.7 | 171.5 | 24.7 | -31.1 | 0 | 0 | 0 | 105.6 | N26 P30 | N26-P28 VanDerWaalsContact C-CD 3.46Å; N26-P28 WeakPolarHBondContact O-CD 3.16Å; P28-P30 WeakPolarHBondContact O-CD 3.38Å; P28-P30 VanDerWaalsContact O-N 3.13Å |
| 29 | S | 54 | Low | 55.3 | Low | 59 Ų | 59 | 106.6 Ų | 106.6 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | | | trans | -52.1 | 126.7 | 179.3 | -177.6 | 0 | 0 | 0 | 0 | 107 | L27 A31 L32 C33 | L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.07Å; S29-A31 PolarHBondContact O-N 2.75Å; S29-L32 PolarHBondContact O-N 2.75Å; S29-C33 PolarHBondContact O-N 3.31Å |
| 30 | P | 58 | Low | 56.5 | Low | 90 Ų | 90 | 101.7 Ų | 101.7 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -51.4 | -26.4 | -177.6 | -29.8 | 35.3 | 0 | 0 | 0 | 113 | P28 C34 | P28-P30 WeakPolarHBondContact O-CD 3.38Å; P28-P30 VanDerWaalsContact O-N 3.13Å; P30-C34 VanDerWaalsContact O-CB 3.3Å; P30-C34 WeakPolarHBondContact O-CB 3.43Å; P30-C34 PolarHBondContact O-N 2.77Å |
| 31 | A | 57.6 | Low | 57.5 | Low | 68 Ų | 68 | 95.8 Ų | 95.8 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S29 A35 | S29-A31 PolarHBondContact O-N 2.75Å; A31-A35 VanDerWaalsContact O-CB 3.29Å; A31-A35 WeakPolarHBondContact O-CB 3.06Å; A31-A35 PolarHBondContact O-N 3.46Å |
| 32 | L | 59.3 | Low | 58.6 | Low | 118 Ų | 118 | 95.1 Ų | 95.1 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.4 | -36.5 | 179.3 | -79 | 160.5 | 0 | 0 | 0 | 111.8 | S29 C36 | S29-L32 PolarHBondContact O-N 2.75Å; L32-C36 WeakPolarHBondContact O-CB 3.38Å; L32-C36 PolarHBondContact O-N 2.75Å; L32-C36 PolarHBondContact O-SG 3.33Å |
| 33 | C | 62.9 | Low | 59.4 | Low | 31 Ų | 31 | 91.1 Ų | 91.1 | 21% | 0.209 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -73.6 | -36 | 177.7 | -159.6 | 0 | 0 | 0 | 0 | 112.2 | S29 G37 S87 | S29-C33 PolarHBondContact O-N 3.31Å; C33-G37 PolarHBondContact O-N 3.26Å; C33-S87 PolarHBondContact SG-OG 2.85Å |
| 34 | C | 62.4 | Low | 60.7 | Low | 46 Ų | 46 | 81.8 Ų | 81.8 | 31% | 0.311 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 172.2 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | P30 C36 G37 L38 | P30-C34 VanDerWaalsContact O-CB 3.3Å; P30-C34 WeakPolarHBondContact O-CB 3.43Å; P30-C34 PolarHBondContact O-N 2.77Å; C34-C36 PolarHBondContact O-N 2.85Å; C34-G37 PolarHBondContact O-N 3.49Å; C34-L38 WeakPolarHBondContact O-CB 3.31Å; C34-L38 VanDerWaalsContact O-CG 3.27Å; C34-L38 WeakPolarHBondContact O-CG 3.29Å; C34-L38 PolarHBondContact O-N 3.42Å |
| 35 | A | 66.4 | Low | 61.8 | Low | 47 Ų | 47 | 76.1 Ų | 76.1 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 G37 L38 C39 | A31-A35 VanDerWaalsContact O-CB 3.29Å; A31-A35 WeakPolarHBondContact O-CB 3.06Å; A31-A35 PolarHBondContact O-N 3.46Å; A35-G37 PolarHBondContact O-N 2.91Å; A35-L38 PolarHBondContact O-N 3.39Å; A35-C39 WeakPolarHBondContact O-CB 3.5Å; A35-C39 PolarHBondContact O-N 3Å; A35-C39 PolarHBondContact O-SG 3.03Å |
| 36 | C | 64.4 | Low | 62.8 | Low | 75 Ų | 75 | 74 Ų | 74 | 51% | 0.507 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 175.3 | -81.2 | 0 | 0 | 0 | 0 | 112.7 | L32 C34 L38 C39 I40 | L32-C36 WeakPolarHBondContact O-CB 3.38Å; L32-C36 PolarHBondContact O-N 2.75Å; L32-C36 PolarHBondContact O-SG 3.33Å; C34-C36 PolarHBondContact O-N 2.85Å; C36-L38 VanDerWaalsContact C-N 3.34Å; C36-L38 PolarHBondContact O-N 3.03Å; C36-C39 PolarHBondContact O-N 3.5Å; C36-I40 WeakPolarHBondContact O-CG1 3.16Å; C36-I40 PolarHBondContact O-N 2.85Å |
| 37 | G | 70.4 | Confident | 63.6 | Low | 8 Ų | 8 | 74.1 Ų | 74.1 | 8% | 0.082 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C33 C34 A35 I40 M41 | C33-G37 PolarHBondContact O-N 3.26Å; C34-G37 PolarHBondContact O-N 3.49Å; A35-G37 PolarHBondContact O-N 2.91Å; G37-I40 PolarHBondContact O-N 2.79Å; G37-M41 WeakPolarHBondContact O-CB 3.42Å; G37-M41 PolarHBondContact O-N 2.86Å |
| 38 | L | 67.4 | Low | 64.5 | Low | 72 Ų | 72 | 68.2 Ų | 68.2 | 38% | 0.377 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 173.8 | -69.6 | 170.3 | 0 | 0 | 0 | 111.5 | C34 A35 C36 M41 L42 F80 | C34-L38 WeakPolarHBondContact O-CB 3.31Å; C34-L38 VanDerWaalsContact O-CG 3.27Å; C34-L38 WeakPolarHBondContact O-CG 3.29Å; C34-L38 PolarHBondContact O-N 3.42Å; A35-L38 PolarHBondContact O-N 3.39Å; C36-L38 VanDerWaalsContact C-N 3.34Å; C36-L38 PolarHBondContact O-N 3.03Å; L38-M41 HydrophobicContact CD2-CE 4.41Å; L38-M41 PolarHBondContact O-N 2.94Å; L38-L42 WeakPolarHBondContact O-CB 2.99Å; L38-L42 WeakPolarHBondContact O-CD1 3.27Å; L38-L42 PolarHBondContact O-N 3.41Å; L38-F80 HydrophobicContact CD2-CE2 3.53Å; L38-F80 HydrophobicContact CD2-CZ 3.69Å; L38-F80 HydrophobicContact CG-CE2 3.92Å; L38-F80 HydrophobicContact CG-CZ 4.41Å |
| 39 | C | 64.8 | Low | 64.8 | Low | 87 Ų | 87 | 69.1 Ų | 69.1 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 176.9 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | A35 C36 L42 A43 | A35-C39 WeakPolarHBondContact O-CB 3.5Å; A35-C39 PolarHBondContact O-N 3Å; A35-C39 PolarHBondContact O-SG 3.03Å; C36-C39 PolarHBondContact O-N 3.5Å; C39-L42 PolarHBondContact O-N 3.46Å; C39-A43 VanDerWaalsContact O-CB 3.28Å; C39-A43 WeakPolarHBondContact O-CB 3.17Å; C39-A43 PolarHBondContact O-N 3.32Å |
| 40 | I | 71.6 | Confident | 65.1 | Low | 124 Ų | 124 | 71.2 Ų | 71.2 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.2 | -38.8 | 176.7 | -65.6 | 174.3 | 0 | 0 | 0 | 110.6 | C36 G37 G44 | C36-I40 WeakPolarHBondContact O-CG1 3.16Å; C36-I40 PolarHBondContact O-N 2.85Å; G37-I40 PolarHBondContact O-N 2.79Å; I40-G44 PolarHBondContact O-N 3.48Å |
| 41 | M | 67.3 | Low | 65.2 | Low | 40 Ų | 40 | 68.3 Ų | 68.3 | 20% | 0.197 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 175.7 | -166.9 | -170.2 | 74.8 | 0 | 0 | 111.5 | G37 L38 A43 G44 I45 F80 | G37-M41 WeakPolarHBondContact O-CB 3.42Å; G37-M41 PolarHBondContact O-N 2.86Å; L38-M41 HydrophobicContact CD2-CE 4.41Å; L38-M41 PolarHBondContact O-N 2.94Å; M41-A43 PolarHBondContact O-N 2.67Å; M41-G44 PolarHBondContact O-N 2.82Å; M41-I45 HydrophobicContact CE-CD1 4.04Å; M41-I45 HydrophobicContact CG-CD1 3.81Å; M41-I45 HydrophobicContact CG-CG1 4.46Å; M41-I45 WeakPolarHBondContact O-CB 3.31Å; M41-I45 WeakPolarHBondContact O-CD1 3.24Å; M41-I45 WeakPolarHBondContact O-CG1 3.44Å; M41-I45 PolarHBondContact O-N 2.96Å; M41-I45 HydrophobicContact SD-CD1 4.41Å; M41-F80 HydrophobicContact CB-CD2 4.3Å; M41-F80 HydrophobicContact CG-CB 4.48Å; M41-F80 HydrophobicContact SD-CB 4.18Å; M41-F80 HydrophobicContact SD-CD1 4.12Å; M41-F80 HydrophobicContact SD-CD2 4.06Å; M41-F80 HydrophobicContact SD-CG 3.84Å |
| 42 | L | 69.4 | Low | 65.1 | Low | 97 Ų | 97 | 67.6 Ų | 67.6 | 51% | 0.508 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.9 | -94.7 | 87.6 | 0 | 0 | 0 | 111.3 | L38 C39 I45 N46 | L38-L42 WeakPolarHBondContact O-CB 2.99Å; L38-L42 WeakPolarHBondContact O-CD1 3.27Å; L38-L42 PolarHBondContact O-N 3.41Å; C39-L42 PolarHBondContact O-N 3.46Å; L42-I45 PolarHBondContact O-N 3.48Å; L42-N46 WeakPolarHBondContact O-CB 3.43Å; L42-N46 PolarHBondContact O-N 2.75Å; L42-N46 PolarHBondContact O-ND2 3.48Å |
| 43 | A | 67.1 | Low | 64.9 | Low | 49 Ų | 49 | 69.8 Ų | 69.8 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C39 M41 N46 I47 | C39-A43 VanDerWaalsContact O-CB 3.28Å; C39-A43 WeakPolarHBondContact O-CB 3.17Å; C39-A43 PolarHBondContact O-N 3.32Å; M41-A43 PolarHBondContact O-N 2.67Å; A43-N46 PolarHBondContact O-N 3.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.38Å; A43-I47 PolarHBondContact O-N 2.82Å |
| 44 | G | 68.9 | Low | 64.4 | Low | 23 Ų | 23 | 71.3 Ų | 71.3 | 24% | 0.237 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | I40 M41 I47 T48 | I40-G44 PolarHBondContact O-N 3.48Å; M41-G44 PolarHBondContact O-N 2.82Å; G44-I47 PolarHBondContact O-N 2.85Å; G44-T48 VanDerWaalsContact O-CB 3.24Å; G44-T48 WeakPolarHBondContact O-CB 3.34Å; G44-T48 PolarHBondContact O-N 3.36Å; G44-T48 PolarHBondContact O-OG1 3.46Å |
| 45 | I | 68.4 | Low | 63.9 | Low | 54 Ų | 54 | 76.8 Ų | 76.8 | 28% | 0.277 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 176.3 | -68.1 | 163 | 0 | 0 | 0 | 110.6 | M41 L42 T48 L49 | M41-I45 HydrophobicContact CE-CD1 4.04Å; M41-I45 HydrophobicContact CG-CD1 3.81Å; M41-I45 HydrophobicContact CG-CG1 4.46Å; M41-I45 WeakPolarHBondContact O-CB 3.31Å; M41-I45 WeakPolarHBondContact O-CD1 3.24Å; M41-I45 WeakPolarHBondContact O-CG1 3.44Å; M41-I45 PolarHBondContact O-N 2.96Å; M41-I45 HydrophobicContact SD-CD1 4.41Å; L42-I45 PolarHBondContact O-N 3.48Å; I45-T48 CarbonylContact O-C 3.58Å; I45-T48 PolarHBondContact O-N 2.88Å; I45-L49 HydrophobicContact CG2-CD1 3.42Å; I45-L49 VanDerWaalsContact CG2-CD1 3.42Å; I45-L49 WeakPolarHBondContact O-CB 3.24Å; I45-L49 VanDerWaalsContact O-CD1 3.27Å; I45-L49 WeakPolarHBondContact O-CD1 3.36Å; I45-L49 PolarHBondContact O-N 2.85Å |
| 46 | N | 66.6 | Low | 63 | Low | 100 Ų | 100 | 76.5 Ų | 76.5 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.7 | -78.6 | -69.9 | 0 | 0 | 0 | 112 | L42 A43 L49 V50 | L42-N46 WeakPolarHBondContact O-CB 3.43Å; L42-N46 PolarHBondContact O-N 2.75Å; L42-N46 PolarHBondContact O-ND2 3.48Å; A43-N46 PolarHBondContact O-N 3.23Å; N46-L49 PolarHBondContact O-N 3.09Å; N46-V50 WeakPolarHBondContact O-CB 3.23Å; N46-V50 VanDerWaalsContact O-CG2 3.31Å; N46-V50 WeakPolarHBondContact O-CG2 3.27Å; N46-V50 PolarHBondContact O-N 3.21Å |
| 47 | I | 68.6 | Low | 62.2 | Low | 124 Ų | 124 | 77.9 Ų | 77.9 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.4 | -38.7 | 173.9 | -68.7 | 174.1 | 0 | 0 | 0 | 111 | A43 G44 V50 G51 | A43-I47 WeakPolarHBondContact O-CG1 3.38Å; A43-I47 PolarHBondContact O-N 2.82Å; G44-I47 PolarHBondContact O-N 2.85Å; I47-V50 PolarHBondContact O-N 2.83Å; I47-G51 PolarHBondContact O-N 3.48Å |
| 48 | T | 62.8 | Low | 61.1 | Low | 30 Ų | 30 | 86 Ų | 86 | 18% | 0.184 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 177.8 | -57 | 0 | 0 | 0 | 0 | 111.4 | G44 I45 A52 L72 | G44-T48 VanDerWaalsContact O-CB 3.24Å; G44-T48 WeakPolarHBondContact O-CB 3.34Å; G44-T48 PolarHBondContact O-N 3.36Å; G44-T48 PolarHBondContact O-OG1 3.46Å; I45-T48 CarbonylContact O-C 3.58Å; I45-T48 PolarHBondContact O-N 2.88Å; T48-A52 WeakPolarHBondContact O-CA 3.35Å; T48-A52 WeakPolarHBondContact O-CB 3.31Å; T48-A52 PolarHBondContact O-N 3.27Å; T48-L72 HydrophobicContact CG2-CB 4.08Å |
| 49 | L | 62.6 | Low | 60.1 | Low | 110 Ų | 110 | 84.1 Ų | 84.1 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | 173.1 | -98.5 | 100.2 | 0 | 0 | 0 | 111 | I45 N46 A52 F53 | I45-L49 HydrophobicContact CG2-CD1 3.42Å; I45-L49 VanDerWaalsContact CG2-CD1 3.42Å; I45-L49 WeakPolarHBondContact O-CB 3.24Å; I45-L49 VanDerWaalsContact O-CD1 3.27Å; I45-L49 WeakPolarHBondContact O-CD1 3.36Å; I45-L49 PolarHBondContact O-N 2.85Å; N46-L49 PolarHBondContact O-N 3.09Å; L49-A52 CarbonylContact O-C 3.55Å; L49-A52 PolarHBondContact O-N 3.44Å; L49-F53 VanDerWaalsContact O-CB 3.24Å; L49-F53 WeakPolarHBondContact O-CB 3.36Å; L49-F53 PolarHBondContact O-N 3.37Å |
| 50 | V | 60.2 | Low | 59.2 | Low | 102 Ų | 102 | 88.1 Ų | 88.1 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 175.6 | 163.9 | 0 | 0 | 0 | 0 | 110.9 | N46 I47 F53 A54 | N46-V50 WeakPolarHBondContact O-CB 3.23Å; N46-V50 VanDerWaalsContact O-CG2 3.31Å; N46-V50 WeakPolarHBondContact O-CG2 3.27Å; N46-V50 PolarHBondContact O-N 3.21Å; I47-V50 PolarHBondContact O-N 2.83Å; V50-F53 PolarHBondContact O-N 3.09Å; V50-A54 WeakPolarHBondContact O-CB 3.41Å; V50-A54 PolarHBondContact O-N 2.83Å |
| 51 | G | 59.1 | Low | 57.9 | Low | 30 Ų | 30 | 87.1 Ų | 87.1 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I47 F53 F55 | I47-G51 PolarHBondContact O-N 3.48Å; G51-F53 VanDerWaalsContact C-N 3.35Å; G51-F55 WeakPolarHBondContact O-CB 3.2Å; G51-F55 WeakPolarHBondContact O-CD2 3.41Å; G51-F55 PolarHBondContact O-N 3.45Å |
| 52 | A | 55.9 | Low | 57.1 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.9 | -27.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T48 L49 G56 | T48-A52 WeakPolarHBondContact O-CA 3.35Å; T48-A52 WeakPolarHBondContact O-CB 3.31Å; T48-A52 PolarHBondContact O-N 3.27Å; L49-A52 CarbonylContact O-C 3.55Å; L49-A52 PolarHBondContact O-N 3.44Å; A52-G56 WeakPolarHBondContact O-CA 3.26Å; A52-G56 PolarHBondContact O-N 3.05Å |
| 53 | F | 54.8 | Low | 56 | Low | 164 Ų | 164 | 89.1 Ų | 89.1 | 72% | 0.719 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -85 | -33.1 | 177.3 | -146.6 | -91.5 | 0 | 0 | 0 | 111.7 | L49 V50 G51 T57 | L49-F53 VanDerWaalsContact O-CB 3.24Å; L49-F53 WeakPolarHBondContact O-CB 3.36Å; L49-F53 PolarHBondContact O-N 3.37Å; V50-F53 PolarHBondContact O-N 3.09Å; G51-F53 VanDerWaalsContact C-N 3.35Å; F53-T57 PolarHBondContact O-OG1 2.96Å |
| 54 | A | 54 | Low | 55.2 | Low | 62 Ų | 62 | 92 Ų | 92 | 51% | 0.512 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.1 | -29.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V50 | V50-A54 WeakPolarHBondContact O-CB 3.41Å; V50-A54 PolarHBondContact O-N 2.83Å |
| 55 | F | 50.3 | Low | 54.2 | Low | 161 Ų | 161 | 93.2 Ų | 93.2 | 71% | 0.706 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -112.5 | -14.3 | 179.1 | -69.8 | -82.2 | 0 | 0 | 0 | 114.7 | G51 | G51-F55 WeakPolarHBondContact O-CB 3.2Å; G51-F55 WeakPolarHBondContact O-CD2 3.41Å; G51-F55 PolarHBondContact O-N 3.45Å |
| 56 | G | 48.9 | Very low | 53.4 | Low | 42 Ų | 42 | 96.9 Ų | 96.9 | 43% | 0.433 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -82.2 | -21.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | A52 F58 | A52-G56 WeakPolarHBondContact O-CA 3.26Å; A52-G56 PolarHBondContact O-N 3.05Å; G56-F58 VanDerWaalsContact C-N 3.27Å; G56-F58 PolarHBondContact O-N 2.89Å |
| 57 | T | 48 | Very low | 52.9 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 64% | 0.638 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -19.7 | 171.7 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | F53 | F53-T57 PolarHBondContact O-OG1 2.96Š|
| 58 | F | 45.9 | Very low | 52.5 | Low | 179 Ų | 179 | 96.4 Ų | 96.4 | 79% | 0.785 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 2 | -179 | -86.5 | -80.8 | 0 | 0 | 0 | 115.1 | G56 | G56-F58 VanDerWaalsContact C-N 3.27Å; G56-F58 PolarHBondContact O-N 2.89Å |
| 59 | S | 47.3 | Very low | 52.3 | Low | 32 Ų | 32 | 96.4 Ų | 96.4 | 22% | 0.224 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -151.9 | 28.3 | -169.4 | -107 | 0 | 0 | 0 | 0 | 117.7 | A61 | S59-A61 VanDerWaalsContact C-N 3.29Š|
| 60 | L | 46 | Very low | 52.5 | Low | 171 Ų | 171 | 94.7 Ų | 94.7 | 90% | 0.895 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -82.5 | -8.9 | 165.1 | -155.4 | 63.6 | 0 | 0 | 0 | 112.9 | | |
| 61 | A | 44.6 | Very low | 52.7 | Low | 102 Ų | 102 | 94.8 Ų | 94.8 | 84% | 0.843 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -107.7 | -9.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S59 | S59-A61 VanDerWaalsContact C-N 3.29Š|
| 62 | A | 50.3 | Low | 52.9 | Low | 77 Ų | 77 | 97.3 Ų | 97.3 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -157.8 | -5.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 63 | N | 45.6 | Very low | 53.4 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -150.6 | 176.1 | -162.6 | -89.9 | -59 | 0 | 0 | 0 | 115.8 | P65 | N63-P65 WeakPolarHBondContact O-CD 3.3Š|
| 64 | P | 49.7 | Very low | 53.8 | Low | 108 Ų | 108 | 96.2 Ų | 96.2 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -89.2 | 35 | -171.9 | 37.7 | -35.7 | 0 | 0 | 0 | 118 | | |
| 65 | P | 47.8 | Very low | 54.5 | Low | 50 Ų | 50 | 97.8 Ų | 97.8 | 33% | 0.325 | 56% | 0.561 | S | S | . | * | | | trans | -92.8 | 8.6 | 172.2 | 36.7 | -28.6 | 0 | 0 | 0 | 114 | N63 I67 I68 | N63-P65 WeakPolarHBondContact O-CD 3.3Å; P65-I67 PolarHBondContact O-N 2.97Å; P65-I68 HydrophobicContact CB-CD1 4.37Å; P65-I68 PolarHBondContact O-N 3.5Å |
| 66 | I | 53.1 | Low | 55.2 | Low | 131 Ų | 131 | 91 Ų | 91 | 67% | 0.672 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.2 | 178.2 | -63 | 169.4 | 0 | 0 | 0 | 112.3 | P70 | I66-P70 WeakPolarHBondContact O-CD 3.18Š|
| 67 | I | 55.3 | Low | 56.1 | Low | 118 Ų | 118 | 93 Ų | 93 | 61% | 0.605 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -25.5 | -174.3 | -56.2 | 168.4 | 0 | 0 | 0 | 112 | P65 P70 L71 | P65-I67 PolarHBondContact O-N 2.97Å; I67-P70 WeakPolarHBondContact O-CD 3.36Å; I67-L71 WeakPolarHBondContact O-CB 3.19Å; I67-L71 PolarHBondContact O-N 3.47Å |
| 68 | I | 60.1 | Low | 57 | Low | 96 Ų | 96 | 90.4 Ų | 90.4 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.7 | -40.2 | -168.5 | -71.3 | 161 | 0 | 0 | 0 | 111.9 | P65 L71 L72 | P65-I68 HydrophobicContact CB-CD1 4.37Å; P65-I68 PolarHBondContact O-N 3.5Å; I68-L71 PolarHBondContact O-N 3.23Å; I68-L72 HydrophobicContact CG2-CD1 4.05Å; I68-L72 HydrophobicContact CG2-CG 4.43Å; I68-L72 VanDerWaalsContact O-CG 3.29Å; I68-L72 WeakPolarHBondContact O-CG 3.46Å; I68-L72 PolarHBondContact O-N 2.9Å |
| 69 | G | 59.5 | Low | 58 | Low | 29 Ų | 29 | 88.7 Ų | 88.7 | 30% | 0.299 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.8 | -54.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L71 L72 L73 | G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 2.92Å; G69-L72 PolarHBondContact O-N 3.49Å; G69-L73 PolarHBondContact O-N 2.95Å; G69-L73 VanDerWaalsContact O-N 3.17Å |
| 70 | P | 65.8 | Low | 58.9 | Low | 75 Ų | 75 | 89.4 Ų | 89.4 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 173.9 | -26.9 | 35.3 | 0 | 0 | 0 | 114 | I66 I67 L73 L74 | I66-P70 WeakPolarHBondContact O-CD 3.18Å; I67-P70 WeakPolarHBondContact O-CD 3.36Å; P70-L73 PolarHBondContact O-N 2.83Å; P70-L74 VanDerWaalsContact O-CG 3.31Å; P70-L74 WeakPolarHBondContact O-CG 3.43Å; P70-L74 PolarHBondContact O-N 3.28Å |
| 71 | L | 65.4 | Low | 59.9 | Low | 104 Ų | 104 | 84.7 Ų | 84.7 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | -179.8 | -167.7 | 68.9 | 0 | 0 | 0 | 112.1 | I67 I68 G69 L74 L75 | I67-L71 WeakPolarHBondContact O-CB 3.19Å; I67-L71 PolarHBondContact O-N 3.47Å; I68-L71 PolarHBondContact O-N 3.23Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 2.92Å; L71-L74 PolarHBondContact O-N 3.33Å; L71-L75 PolarHBondContact O-N 3.41Å |
| 72 | L | 62.7 | Low | 60.9 | Low | 82 Ų | 82 | 82.3 Ų | 82.3 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -37 | 175.9 | -67.8 | 174.9 | 0 | 0 | 0 | 111.9 | T48 I68 G69 L75 A76 | T48-L72 HydrophobicContact CG2-CB 4.08Å; I68-L72 HydrophobicContact CG2-CD1 4.05Å; I68-L72 HydrophobicContact CG2-CG 4.43Å; I68-L72 VanDerWaalsContact O-CG 3.29Å; I68-L72 WeakPolarHBondContact O-CG 3.46Å; I68-L72 PolarHBondContact O-N 2.9Å; G69-L72 PolarHBondContact O-N 3.49Å; L72-L75 PolarHBondContact O-N 2.91Å; L72-A76 PolarHBondContact O-N 2.76Å; L72-A76 VanDerWaalsContact O-N 3.07Å |
| 73 | L | 65.7 | Low | 61.5 | Low | 83 Ų | 83 | 80.9 Ų | 80.9 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 174.4 | -174.3 | 64.7 | 0 | 0 | 0 | 111.9 | G69 P70 L75 A76 L77 | G69-L73 PolarHBondContact O-N 2.95Å; G69-L73 VanDerWaalsContact O-N 3.17Å; P70-L73 PolarHBondContact O-N 2.83Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 2.69Å; L73-A76 PolarHBondContact O-N 3.26Å; L73-L77 HydrophobicContact CG-CD1 4.23Å; L73-L77 PolarHBondContact O-N 2.88Å |
| 74 | L | 64.3 | Low | 62.3 | Low | 111 Ų | 111 | 76.9 Ų | 76.9 | 58% | 0.581 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62 | -38.9 | 175.7 | -74.8 | 169.9 | 0 | 0 | 0 | 111.9 | P70 L71 L77 A78 | P70-L74 VanDerWaalsContact O-CG 3.31Å; P70-L74 WeakPolarHBondContact O-CG 3.43Å; P70-L74 PolarHBondContact O-N 3.28Å; L71-L74 PolarHBondContact O-N 3.33Å; L74-L77 PolarHBondContact O-N 3.04Å; L74-A78 WeakPolarHBondContact O-CB 3.19Å; L74-A78 PolarHBondContact O-N 3.49Å |
| 75 | L | 68.1 | Low | 63 | Low | 95 Ų | 95 | 75.7 Ų | 75.7 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.3 | -162.8 | 63.2 | 0 | 0 | 0 | 111.1 | L71 L72 L73 L77 A78 F79 | L71-L75 PolarHBondContact O-N 3.41Å; L72-L75 PolarHBondContact O-N 2.91Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 2.69Å; L75-L77 PolarHBondContact O-N 2.92Å; L75-A78 PolarHBondContact O-N 3.38Å; L75-F79 HydrophobicContact CD1-CD2 4.25Å; L75-F79 HydrophobicContact CD1-CE2 3.91Å; L75-F79 HydrophobicContact CG-CD2 4.07Å; L75-F79 HydrophobicContact CG-CE2 3.97Å; L75-F79 VanDerWaalsContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CD2 3.15Å; L75-F79 PolarHBondContact O-N 2.93Å |
| 76 | A | 66.3 | Low | 63.7 | Low | 20 Ų | 20 | 78.4 Ų | 78.4 | 17% | 0.165 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 L73 F79 F80 | L72-A76 PolarHBondContact O-N 2.76Å; L72-A76 VanDerWaalsContact O-N 3.07Å; L73-A76 PolarHBondContact O-N 3.26Å; A76-F79 PolarHBondContact O-N 3.17Å; A76-F80 WeakPolarHBondContact O-CB 3.36Å; A76-F80 PolarHBondContact O-N 2.84Å |
| 77 | L | 66.1 | Low | 64 | Low | 83 Ų | 83 | 73.9 Ų | 73.9 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.7 | -86.9 | 154.2 | 0 | 0 | 0 | 112.4 | L73 L74 L75 F80 T81 | L73-L77 HydrophobicContact CG-CD1 4.23Å; L73-L77 PolarHBondContact O-N 2.88Å; L74-L77 PolarHBondContact O-N 3.04Å; L75-L77 PolarHBondContact O-N 2.92Å; L77-F80 PolarHBondContact O-N 3.34Å; L77-T81 WeakPolarHBondContact O-CB 3.28Å; L77-T81 VanDerWaalsContact O-CG2 3.27Å; L77-T81 WeakPolarHBondContact O-CG2 3.48Å; L77-T81 PolarHBondContact O-N 3.48Å; L77-T81 PolarHBondContact O-OG1 3.3Å |
| 78 | A | 67.6 | Low | 64.2 | Low | 50 Ų | 50 | 77.9 Ų | 77.9 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L74 L75 T81 A82 | L74-A78 WeakPolarHBondContact O-CB 3.19Å; L74-A78 PolarHBondContact O-N 3.49Å; L75-A78 PolarHBondContact O-N 3.38Å; A78-T81 WeakPolarHBondContact CA-OG1 3.13Å; A78-T81 PolarHBondContact O-N 3.47Å; A78-T81 PolarHBondContact O-OG1 2.93Å; A78-A82 WeakPolarHBondContact O-CB 3.27Å; A78-A82 PolarHBondContact O-N 3.5Å |
| 79 | F | 67.5 | Low | 63.8 | Low | 142 Ų | 142 | 81.8 Ų | 81.8 | 62% | 0.623 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 175.8 | -87.2 | -80.1 | 0 | 0 | 0 | 112.3 | L75 A76 C83 | L75-F79 HydrophobicContact CD1-CD2 4.25Å; L75-F79 HydrophobicContact CD1-CE2 3.91Å; L75-F79 HydrophobicContact CG-CD2 4.07Å; L75-F79 HydrophobicContact CG-CE2 3.97Å; L75-F79 VanDerWaalsContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CD2 3.15Å; L75-F79 PolarHBondContact O-N 2.93Å; A76-F79 PolarHBondContact O-N 3.17Å; F79-C83 WeakPolarHBondContact O-CB 3.14Å; F79-C83 PolarHBondContact O-N 2.92Å |
| 80 | F | 66.3 | Low | 63.2 | Low | 47 Ų | 47 | 85.2 Ų | 85.2 | 21% | 0.206 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 175.9 | 178.7 | -105.5 | 0 | 0 | 0 | 111.6 | L38 M41 A76 L77 C83 C84 | L38-F80 HydrophobicContact CD2-CE2 3.53Å; L38-F80 HydrophobicContact CD2-CZ 3.69Å; L38-F80 HydrophobicContact CG-CE2 3.92Å; L38-F80 HydrophobicContact CG-CZ 4.41Å; M41-F80 HydrophobicContact CB-CD2 4.3Å; M41-F80 HydrophobicContact CG-CB 4.48Å; M41-F80 HydrophobicContact SD-CB 4.18Å; M41-F80 HydrophobicContact SD-CD1 4.12Å; M41-F80 HydrophobicContact SD-CD2 4.06Å; M41-F80 HydrophobicContact SD-CG 3.84Å; A76-F80 WeakPolarHBondContact O-CB 3.36Å; A76-F80 PolarHBondContact O-N 2.84Å; L77-F80 PolarHBondContact O-N 3.34Å; F80-C83 PolarHBondContact O-N 2.88Å; F80-C84 WeakPolarHBondContact CZ-SG 3.48Å; F80-C84 VanDerWaalsContact O-CB 3.26Å; F80-C84 WeakPolarHBondContact O-CB 3.48Å; F80-C84 PolarHBondContact O-N 3.04Å; F80-C84 PolarHBondContact O-SG 2.84Å |
| 81 | T | 65.3 | Low | 62.2 | Low | 73 Ų | 73 | 86.9 Ų | 86.9 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 178.8 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | L77 A78 C84 V85 | L77-T81 WeakPolarHBondContact O-CB 3.28Å; L77-T81 VanDerWaalsContact O-CG2 3.27Å; L77-T81 WeakPolarHBondContact O-CG2 3.48Å; L77-T81 PolarHBondContact O-N 3.48Å; L77-T81 PolarHBondContact O-OG1 3.3Å; A78-T81 WeakPolarHBondContact CA-OG1 3.13Å; A78-T81 PolarHBondContact O-N 3.47Å; A78-T81 PolarHBondContact O-OG1 2.93Å; T81-C84 PolarHBondContact O-N 2.84Å; T81-V85 WeakPolarHBondContact O-CB 3.49Å; T81-V85 VanDerWaalsContact O-CG2 3.23Å; T81-V85 WeakPolarHBondContact O-CG2 3.45Å; T81-V85 PolarHBondContact O-N 3.44Å |
| 82 | A | 66.6 | Low | 61.3 | Low | 51 Ų | 51 | 87.3 Ų | 87.3 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A78 C84 V85 V86 | A78-A82 WeakPolarHBondContact O-CB 3.27Å; A78-A82 PolarHBondContact O-N 3.5Å; A82-C84 VanDerWaalsContact C-N 3.32Å; A82-C84 PolarHBondContact O-N 2.92Å; A82-V85 PolarHBondContact O-N 3.12Å; A82-V86 WeakPolarHBondContact O-CB 3.47Å; A82-V86 WeakPolarHBondContact O-CG2 3.16Å; A82-V86 PolarHBondContact O-N 2.92Å |
| 83 | C | 62.2 | Low | 60.4 | Low | 47 Ų | 47 | 90.7 Ų | 90.7 | 32% | 0.318 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.3 | -163.6 | 0 | 0 | 0 | 0 | 111.3 | F79 F80 V85 V86 S87 | F79-C83 WeakPolarHBondContact O-CB 3.14Å; F79-C83 PolarHBondContact O-N 2.92Å; F80-C83 PolarHBondContact O-N 2.88Å; C83-V85 PolarHBondContact O-N 3.32Å; C83-V86 PolarHBondContact O-N 2.76Å; C83-S87 VanDerWaalsContact O-CB 3.3Å; C83-S87 WeakPolarHBondContact O-CB 3.4Å; C83-S87 PolarHBondContact O-N 3.41Å; C83-S87 PolarHBondContact O-OG 3.25Å; C83-S87 VanDerWaalsContact O-OG 3.05Å |
| 84 | C | 64.1 | Low | 59.5 | Low | 20 Ų | 20 | 93.2 Ų | 93.2 | 14% | 0.135 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.2 | -72.9 | 0 | 0 | 0 | 0 | 112.7 | F80 T81 A82 R88 | F80-C84 WeakPolarHBondContact CZ-SG 3.48Å; F80-C84 VanDerWaalsContact O-CB 3.26Å; F80-C84 WeakPolarHBondContact O-CB 3.48Å; F80-C84 PolarHBondContact O-N 3.04Å; F80-C84 PolarHBondContact O-SG 2.84Å; T81-C84 PolarHBondContact O-N 2.84Å; A82-C84 VanDerWaalsContact C-N 3.32Å; A82-C84 PolarHBondContact O-N 2.92Å; C84-R88 WeakPolarHBondContact O-CB 3.3Å; C84-R88 WeakPolarHBondContact O-CG 3.29Å; C84-R88 PolarHBondContact O-N 3.46Å |
| 85 | V | 64.6 | Low | 58.3 | Low | 83 Ų | 83 | 93.1 Ų | 93.1 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.3 | -38.6 | -179.9 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | T81 A82 C83 S87 R89 | T81-V85 WeakPolarHBondContact O-CB 3.49Å; T81-V85 VanDerWaalsContact O-CG2 3.23Å; T81-V85 WeakPolarHBondContact O-CG2 3.45Å; T81-V85 PolarHBondContact O-N 3.44Å; A82-V85 PolarHBondContact O-N 3.12Å; C83-V85 PolarHBondContact O-N 3.32Å; V85-S87 VanDerWaalsContact C-N 3.32Å; V85-R89 WeakPolarHBondContact O-CG 3.13Å; V85-R89 PolarHBondContact O-N 3.27Å; V85-R89 VanDerWaalsContact O-N 3.09Å |
| 86 | V | 61.7 | Low | 57.3 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -38.6 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | A82 C83 | A82-V86 WeakPolarHBondContact O-CB 3.47Å; A82-V86 WeakPolarHBondContact O-CG2 3.16Å; A82-V86 PolarHBondContact O-N 2.92Å; C83-V86 PolarHBondContact O-N 2.76Å |
| 87 | S | 59.9 | Low | 56.3 | Low | 37 Ų | 37 | 107.4 Ų | 107.4 | 26% | 0.259 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -89 | -21.6 | -177.4 | -57.7 | 0 | 0 | 0 | 0 | 114.6 | C33 C83 V85 R89 | C33-S87 PolarHBondContact SG-OG 2.85Å; C83-S87 VanDerWaalsContact O-CB 3.3Å; C83-S87 WeakPolarHBondContact O-CB 3.4Å; C83-S87 PolarHBondContact O-N 3.41Å; C83-S87 PolarHBondContact O-OG 3.25Å; C83-S87 VanDerWaalsContact O-OG 3.05Å; V85-S87 VanDerWaalsContact C-N 3.32Å; S87-R89 VanDerWaalsContact C-N 3.34Å |
| 88 | R | 58.3 | Low | 55.2 | Low | 201 Ų | 201 | 110.4 Ų | 110.4 | 76% | 0.758 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.2 | -9.3 | 167.3 | -71.7 | -176.9 | -170.1 | -121.2 | 5.8 | 112.9 | C84 P90 | C84-R88 WeakPolarHBondContact O-CB 3.3Å; C84-R88 WeakPolarHBondContact O-CG 3.29Å; C84-R88 PolarHBondContact O-N 3.46Å; R88-P90 WeakPolarHBondContact O-CD 3.37Å |
| 89 | R | 51.9 | Low | 54.2 | Low | 179 Ų | 179 | 117.7 Ų | 117.7 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -69.8 | 111.6 | 168.5 | -88.6 | 177.6 | -175.8 | -168.8 | 2.2 | 107.3 | V85 S87 | V85-R89 WeakPolarHBondContact O-CG 3.13Å; V85-R89 PolarHBondContact O-N 3.27Å; V85-R89 VanDerWaalsContact O-N 3.09Å; S87-R89 VanDerWaalsContact C-N 3.34Å |
| 90 | P | 47.8 | Very low | 52.8 | Low | 101 Ų | 101 | 114.3 Ų | 114.3 | 66% | 0.656 | 62% | 0.622 | S | S | * | * | | | trans | -56.2 | 151.8 | 170.2 | 25.5 | -32.6 | 0 | 0 | 0 | 108.4 | R88 S92 | R88-P90 WeakPolarHBondContact O-CD 3.37Å; P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 3.01Å |
| 91 | P | 44.8 | Very low | 51.8 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | | | trans | -55.7 | 96.2 | 175.4 | -19.1 | 29.7 | 0 | 0 | 0 | 109 | H93 | P91-H93 PolarHBondContact O-N 3.26Š|
| 92 | S | 45.6 | Very low | 51 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | | | trans | -81.8 | 62.2 | 173.1 | 41.4 | 0 | 0 | 0 | 0 | 107.3 | P90 M94 | P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 3.01Å; S92-M94 PolarHBondContact O-N 2.83Å |
| 93 | H | 44 | Very low | 50.3 | Low | 153 Ų | 153 | 124.4 Ų | 124.4 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | | | trans | -88 | 99.6 | 166.4 | -161.3 | -103.1 | 0 | 0 | 0 | 108.2 | P91 | P91-H93 PolarHBondContact O-N 3.26Š|
| 94 | M | 47.5 | Very low | 49.4 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 67% | 0.665 | 70% | 0.698 | S | S | * | * | | | trans | 73.2 | 70.9 | 145.1 | -53.8 | -65.9 | 163.2 | 0 | 0 | 118.3 | S92 R96 | S92-M94 PolarHBondContact O-N 2.83Å; M94-R96 PolarHBondContact O-N 3.07Å |
| 95 | A | 38.6 | Very low | 48.9 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | | | trans | -82.4 | 82.1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 108 | K97 | A95-K97 PolarHBondContact O-N 3.25Š|
| 96 | R | 46 | Very low | 48.2 | Very low | 223 Ų | 223 | 139.8 Ų | 139.8 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | | | trans | -51.5 | 122.1 | 166.5 | 170.6 | -178.9 | -78.2 | -176.1 | -4.4 | 108.5 | M94 | M94-R96 PolarHBondContact O-N 3.07Š|
| 97 | K | 45.9 | Very low | 47.6 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | trans | 40.2 | 105 | 161.4 | -78.7 | -179.9 | 167.8 | -178 | 0 | 115.7 | A95 | A95-K97 PolarHBondContact O-N 3.25Š|
| 98 | T | 42.1 | Very low | 47.1 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | | -141.7 | 141.9 | 123.6 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 99 | Q | 47.3 | Very low | 46.1 | Very low | 202 Ų | 202 | 150 Ų | 150 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | | | trans | -72.2 | 142.6 | -178.1 | 178 | 180 | 16.2 | 0 | 0 | 110.8 | | |
| 100 | G | 38.4 | Very low | 46.2 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | 134 | 96.7 | 176 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 101 | G | 45.5 | Very low | 45.9 | Very low | 68 Ų | 68 | 145.2 Ų | 145.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | | 88.2 | 106.2 | 74.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 102 | E | 49.3 | Very low | 46.3 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 61.1 | 135.1 | 158.4 | 62.6 | -179.9 | 116.6 | 0 | 0 | 120.9 | | |
| 103 | K | 51.9 | Low | 46.5 | Very low | 162 Ų | 162 | 146 Ų | 146 | 70% | 0.704 | 80% | 0.796 | S | S | * | * | | | trans | 56.3 | 78.3 | 155.2 | 59.7 | 162.7 | -179.8 | -89.3 | 0 | 119.7 | | |
| 104 | W | 42.8 | Very low | 46.4 | Very low | 233 Ų | 233 | 148 Ų | 148 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -130.7 | 38.2 | 154.8 | -76.3 | 80.7 | 0 | 0 | 0 | 112.3 | | |
| 105 | G | 53.6 | Low | 46.7 | Very low | 69 Ų | 69 | 149.9 Ų | 149.9 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -92.9 | 134 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 106 | L | 50 | Low | 47.4 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 88.2 | 59.8 | 173.2 | -148.4 | 92.1 | 0 | 0 | 0 | 117.1 | | |
| 107 | M | 48.3 | Very low | 48.1 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -177.4 | 110.3 | 148.2 | -104 | 155.6 | 159.7 | 0 | 0 | 111.2 | | |
| 108 | R | 48.8 | Very low | 48.4 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 75% | 0.751 | 80% | 0.802 | S | S | * | * | | | | -172.8 | 87.3 | 125.7 | -164.6 | 161.9 | -71.3 | 139.2 | -0.6 | 109.4 | | |
| 109 | M | 37.5 | Very low | 49 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -59.2 | 147.9 | 157.3 | -169.4 | 70 | 106.7 | 0 | 0 | 108.5 | | |
| 110 | G | 54.6 | Low | 49 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -41.2 | 131.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 111 | T | 42.4 | Very low | 49.6 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | | | trans | -125.4 | 103.5 | 159.9 | 60.3 | 0 | 0 | 0 | 0 | 106.4 | A113 | T111-A113 PolarHBondContact O-N 2.65Å; T111-A113 VanDerWaalsContact O-N 3.12Å |
| 112 | V | 52.1 | Low | 50 | Low | 144 Ų | 144 | 152.4 Ų | 152.4 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | | | trans | -60 | 109.2 | 158.1 | -80.1 | 0 | 0 | 0 | 0 | 106.2 | F114 | V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.1Å; V112-F114 VanDerWaalsContact O-N 3.07Å |
| 113 | A | 50.3 | Low | 50.1 | Low | 95 Ų | 95 | 152 Ų | 152 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -73.7 | 95.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | T111 E115 | T111-A113 PolarHBondContact O-N 2.65Å; T111-A113 VanDerWaalsContact O-N 3.12Å; A113-E115 PolarHBondContact O-N 3.04Å |
| 114 | F | 42.6 | Very low | 50.3 | Low | 196 Ų | 196 | 153.1 Ų | 153.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -68.4 | 110.8 | 158.5 | -137.2 | -95.7 | 0 | 0 | 0 | 104.9 | V112 M116 | V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.1Å; V112-F114 VanDerWaalsContact O-N 3.07Å; F114-M116 PolarHBondContact O-N 3.3Å |
| 115 | E | 52.3 | Low | 50.6 | Low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -57.1 | 95 | 165.1 | -96.6 | 176.4 | 117.9 | 0 | 0 | 107.1 | A113 E117 | A113-E115 PolarHBondContact O-N 3.04Å; E115-E117 PolarHBondContact O-N 2.95Å; E115-E117 VanDerWaalsContact O-N 3.11Å |
| 116 | M | 54.8 | Low | 51 | Low | 159 Ų | 159 | 150.7 Ų | 150.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -79.4 | 83.1 | 163.4 | -177.3 | 162.9 | 138.2 | 0 | 0 | 105.7 | F114 M118 | F114-M116 PolarHBondContact O-N 3.3Å; M116-M118 VanDerWaalsContact C-N 3.3Å; M116-M118 PolarHBondContact O-N 3.11Å |
| 117 | E | 59.4 | Low | 51.4 | Low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -66.8 | 94.7 | 169.3 | -170.1 | 174.7 | 110.1 | 0 | 0 | 107.7 | E115 | E115-E117 PolarHBondContact O-N 2.95Å; E115-E117 VanDerWaalsContact O-N 3.11Å |
| 118 | M | 51.7 | Low | 51.6 | Low | 156 Ų | 156 | 144.8 Ų | 144.8 | 77% | 0.768 | 79% | 0.786 | S | S | * | * | | | trans | -82.7 | 115.3 | 171.4 | -160.8 | -167.1 | -157.4 | 0 | 0 | 107.7 | M116 | M116-M118 VanDerWaalsContact C-N 3.3Å; M116-M118 PolarHBondContact O-N 3.11Å |
| 119 | S | 55.6 | Low | 51.7 | Low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | 22 | 122.9 | 144.7 | 163.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 120 | E | 46.3 | Very low | 52.6 | Low | 178 Ų | 178 | 141.3 Ų | 141.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | | -168.8 | 111.8 | 117 | -156.6 | 154.5 | 98.6 | 0 | 0 | 112.3 | | |
| 121 | H | 52.2 | Low | 52.4 | Low | 168 Ų | 168 | 146.1 Ų | 146.1 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | 54.2 | 100.7 | 130.2 | -145.1 | 49.7 | 0 | 0 | 0 | 120.3 | | |
| 122 | T | 52.8 | Low | 52.6 | Low | 123 Ų | 123 | 145.4 Ų | 145.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 178.2 | 111.9 | 115.6 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 123 | L | 51.2 | Low | 52.5 | Low | 144 Ų | 144 | 144.9 Ų | 144.9 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | -147 | 82.1 | 150.9 | -138.6 | 168.2 | 0 | 0 | 0 | 107.3 | D125 | L123-D125 HydrophobicContact CD2-CB 3.66Å; L123-D125 PolarHBondContact O-N 3.11Å; L123-D125 VanDerWaalsContact O-N 3.11Å |
| 124 | Q | 56.9 | Low | 52.4 | Low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -70.7 | 88.9 | 158 | -67.2 | -175.9 | 6.2 | 0 | 0 | 106.9 | | |
| 125 | D | 49.3 | Very low | 52.8 | Low | 126 Ų | 126 | 144.6 Ų | 144.6 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | | | trans | -149.3 | 103.1 | 150.5 | -82 | -43.1 | 0 | 0 | 0 | 105.1 | L123 | L123-D125 HydrophobicContact CD2-CB 3.66Å; L123-D125 PolarHBondContact O-N 3.11Å; L123-D125 VanDerWaalsContact O-N 3.11Å |
| 126 | T | 61.5 | Low | 52.3 | Low | 125 Ų | 125 | 142.1 Ų | 142.1 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | | 45.9 | 98.7 | 83.4 | -79 | 0 | 0 | 0 | 0 | 108.5 | | |
| 127 | T | 59 | Low | 52 | Low | 126 Ų | 126 | 142.7 Ų | 142.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | cis | -159.5 | 126.7 | 49.3 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 128 | A | 53.4 | Low | 51 | Low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -127.4 | 110.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q130 | A128-Q130 PolarHBondContact O-N 3.33Š|
| 129 | V | 50.5 | Low | 50.6 | Low | 142 Ų | 142 | 136.6 Ų | 136.6 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -53.6 | 126.9 | 168 | 169.8 | 0 | 0 | 0 | 0 | 108 | L131 | V129-L131 PolarHBondContact O-N 3.47Š|
| 130 | Q | 56 | Low | 50.3 | Low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -55 | 129 | 177.1 | -64.3 | 171.2 | 59.4 | 0 | 0 | 111 | A128 | A128-Q130 PolarHBondContact O-N 3.33Š|
| 131 | L | 49.7 | Very low | 50 | Low | 173 Ų | 173 | 135.2 Ų | 135.2 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | trans | -138.2 | 118.1 | 135 | -69.8 | -179.6 | 0 | 0 | 0 | 107.6 | V129 | V129-L131 PolarHBondContact O-N 3.47Š|
| 132 | S | 48 | Very low | 49.8 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | trans | -56.7 | 149.2 | -170.7 | -45.7 | 0 | 0 | 0 | 0 | 113.7 | T134 | S132-T134 PolarHBondContact O-N 3.33Š|
| 133 | P | 48.8 | Very low | 49.4 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | -65 | 112.3 | 165.7 | -11 | 25.5 | 0 | 0 | 0 | 109.3 | N135 | P133-N135 PolarHBondContact O-N 3.17Š|
| 134 | T | 49.2 | Very low | 49.3 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -85.3 | 104.2 | 170.4 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | S132 | S132-T134 PolarHBondContact O-N 3.33Š|
| 135 | N | 49.5 | Very low | 48.5 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -61.9 | 133.3 | 164.5 | -154.4 | -46 | 0 | 0 | 0 | 109.3 | P133 | P133-N135 PolarHBondContact O-N 3.17Š|
| 136 | S | 43.3 | Very low | 48.1 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -168.7 | 96.9 | 150.1 | -76.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 137 | L | 48.1 | Very low | 47.1 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -86.3 | 119.7 | 153 | -168.3 | 85.6 | 0 | 0 | 0 | 107 | | |
| 138 | S | 37.6 | Very low | 45.9 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -177.5 | 126.1 | 148.8 | -160.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 139 | S | 43.9 | Very low | 45.4 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 50.1 | 152.3 | 133.4 | 74.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 140 | S | 49.8 | Very low | 44.7 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 57% | 0.573 | 79% | 0.79 | S | S | * | * | | | cis | 170.8 | 164 | -9.3 | 176.5 | 0 | 0 | 0 | 0 | 103.7 | | |
| 141 | H | 40 | Very low | 43.9 | Very low | 168 Ų | 168 | 130 Ų | 130 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | 84.3 | 94.7 | 162.9 | -50.9 | -67.6 | 0 | 0 | 0 | 119.6 | | |
| 142 | K | 48.3 | Very low | 43.3 | Very low | 198 Ų | 198 | 126 Ų | 126 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | | 31.4 | 110.9 | 111.7 | -161.6 | -178.1 | -168.6 | -167.5 | 0 | 117.8 | | |
| 143 | S | 43.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -161 | 143.4 | 134 | 26.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 144 | T | 48.5 | Very low | 42.5 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -78.4 | 147.6 | -177.1 | 130.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 145 | S | 39.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -140.8 | 130.3 | 149.8 | 68.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 146 | N | 42 | Very low | 41 | Very low | 141 Ų | 141 | 124 Ų | 124 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | -88 | 144.4 | -176.2 | -78.4 | -16 | 0 | 0 | 0 | 111.2 | | |
| 147 | Q | 40.2 | Very low | 40.8 | Very low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | 64.8 | 117 | 132.4 | -155.5 | 151.7 | 53.2 | 0 | 0 | 120.2 | | |
| 148 | G | 34.4 | Very low | 40.1 | Very low | 76 Ų | 76 | 122.5 Ų | 122.5 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | | | trans | -162.7 | 111.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 149 | D | 42.8 | Very low | 40 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | -70.2 | 151 | -170 | -57.9 | -49.8 | 0 | 0 | 0 | 114.2 | | |
| 150 | G | 35.8 | Very low | 39.9 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 171.7 | 69.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 151 | S | 38.2 | Very low | 39.2 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | 17.4 | 114.2 | 149.6 | -161.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 152 | A | 38.1 | Very low | 39.3 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | | 166.4 | 122.3 | 120.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 153 | L | 39.3 | Very low | 39.1 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | | | trans | 23.6 | 132.7 | 142.3 | -81.4 | 135.2 | 0 | 0 | 0 | 118.5 | | |
| 154 | A | 40.4 | Very low | 38.9 | Very low | 80 Ų | 80 | 132 Ų | 132 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | | | cis | -163.2 | 124.3 | 17.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 155 | S | 32.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | | 31.8 | 94.6 | 107.6 | -162.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 156 | C | 34 | Very low | 38.1 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | | | | 79.4 | 114.4 | 90.7 | -70.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 157 | Q | 39.8 | Very low | 38 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | 65.9 | 158.9 | 135.2 | -61.5 | -142.4 | 96.8 | 0 | 0 | 116.4 | | |
| 158 | S | 34.2 | Very low | 37.8 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 53% | 0.531 | 79% | 0.787 | S | S | . | * | | | cis | -173 | 175.7 | -2.9 | 39.2 | 0 | 0 | 0 | 0 | 105.7 | | |
| 159 | E | 34.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | 76.5 | 112 | 156.8 | -69 | 171.1 | 89.4 | 0 | 0 | 116.6 | | |
| 160 | T | 42.8 | Very low | 38.2 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | | 40.8 | 91 | 72.6 | -53.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 161 | K | 34 | Very low | 38.4 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -160.3 | 110.3 | 154 | -147.7 | 170.5 | -178.3 | 179.4 | 0 | 110.8 | | |
| 162 | E | 42.8 | Very low | 38.5 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -64.3 | 143.3 | 150.1 | -83.7 | -84.2 | 103.3 | 0 | 0 | 108.6 | | |
| 163 | P | 43.4 | Very low | 38.7 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | | | trans | -136.8 | 142.3 | 137.6 | 32 | -16.5 | 0 | 0 | 0 | 113.3 | | |
| 164 | Q | 39.5 | Very low | 38.8 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -58.9 | 150.7 | 161.3 | -76.6 | -173.2 | -25.8 | 0 | 0 | 112.5 | | |
| 165 | G | 35.2 | Very low | 38.9 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | 98.7 | 114.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 166 | S | 35.3 | Very low | 39.5 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | 178.5 | 110.6 | 131.1 | -175 | 0 | 0 | 0 | 0 | 111.2 | | |
| 167 | E | 40.7 | Very low | 40.2 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | 23.8 | 129.8 | 130.7 | -117.8 | 167.6 | 88.1 | 0 | 0 | 121.2 | | |
| 168 | K | 35.1 | Very low | 40.7 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | | 138.7 | 119 | 118.6 | -169.3 | 167.7 | -172 | 163.3 | 0 | 113.3 | | |
| 169 | S | 42.6 | Very low | 41.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -155.6 | 117.7 | 140.6 | -56.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 170 | D | 43.9 | Very low | 41.9 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | | | trans | -114 | 175.6 | 175.9 | -153.9 | -9.4 | 0 | 0 | 0 | 107.7 | | |
| 171 | T | 41 | Very low | 42 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | | | trans | 75.9 | 121.2 | -173.7 | 17.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 172 | G | 38.9 | Very low | 42.9 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | cis | 127.3 | 114.6 | 15.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 173 | A | 43.8 | Very low | 43.6 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | -161.8 | 136.6 | 161 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 174 | D | 41 | Very low | 43.6 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | | | trans | -85.3 | 160.4 | -168.1 | 178.3 | 43.2 | 0 | 0 | 0 | 113 | | |
| 175 | G | 41.1 | Very low | 44.2 | Very low | 59 Ų | 59 | 137.6 Ų | 137.6 | 61% | 0.608 | 82% | 0.815 | S | S | * | * | | | trans | 83.6 | 112.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 176 | D | 45.4 | Very low | 45 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | | -168.3 | 146.1 | 82.8 | -130.5 | -19.3 | 0 | 0 | 0 | 113.8 | | |
| 177 | K | 49.3 | Very low | 45.8 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | | | trans | -87.7 | 136.7 | 176.4 | -85.6 | 176.6 | 170.8 | 175.2 | 0 | 110.3 | | |
| 178 | T | 49.8 | Very low | 46.1 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 84% | 0.84 | 84% | 0.842 | S | S | * | * | | | trans | -158.7 | 94.1 | 148.9 | 5.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 179 | S | 42.3 | Very low | 46.6 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 85% | 0.846 | S | S | * | * | | | | 42.4 | 101 | 91.1 | -166.8 | 0 | 0 | 0 | 0 | 112 | | |
| 180 | L | 51.4 | Low | 46.9 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | | | trans | -160 | 108.6 | 130.7 | -96.5 | 175.7 | 0 | 0 | 0 | 109.2 | | |
| 181 | T | 45.3 | Very low | 47 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 80% | 0.798 | 85% | 0.848 | S | S | * | * | | | trans | -52.8 | 135.7 | 162 | 42.4 | 0 | 0 | 0 | 0 | 112 | | |
| 182 | S | 52.8 | Low | 47.4 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | | | trans | -139.3 | 104.5 | 148.7 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 183 | E | 56.9 | Low | 48 | Very low | 158 Ų | 158 | 148 Ų | 148 | 74% | 0.738 | 85% | 0.851 | S | S | * | * | | | trans | -96.3 | 150.9 | 169.2 | -128.1 | -160.7 | 103.7 | 0 | 0 | 108.5 | | |
| 184 | N | 44.7 | Very low | 48.3 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 70% | 0.701 | 85% | 0.847 | S | S | * | * | | | trans | 71.6 | 141.7 | 161.6 | -70.2 | -54.8 | 0 | 0 | 0 | 117.4 | | |
| 185 | K | 51.8 | Low | 48.8 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 83% | 0.83 | 84% | 0.843 | S | S | * | * | | | cis | -166.1 | 149.3 | 30.4 | -161.9 | 168.6 | 174.7 | 169.7 | 0 | 111.5 | | |
| 186 | E | 51.5 | Low | 49.5 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 85% | 0.846 | 86% | 0.862 | S | S | * | * | | | trans | -47.2 | 136.7 | 161.7 | -172.9 | 169.7 | 88.8 | 0 | 0 | 115.7 | | |
| 187 | S | 52.4 | Low | 49.9 | Very low | 196 Ų | 196 | 155.7 Ų | 155.7 | 100% | 1.371 | 86% | 0.858 | S | S | * | * | | | trans | -170.4 | 0 | 142.7 | -74 | 0 | 0 | 0 | 0 | 110.3 | | |