| 1 | M | 62.2 | Low | 81.2 | Confident | 214 Ų | 214 | 134.5 Ų | 134.5 | 100% | 1.054 | 65% | 0.65 | S | S | * | * | | | | 0 | -70.4 | 0 | -82.6 | -174.2 | 175.9 | 0 | 0 | 113.7 | L3 A4 Q5 | M1-L3 PolarHBondContact O-N 3.48Å; M1-L3 VanDerWaalsContact O-N 3.14Å; M1-A4 WeakPolarHBondContact O-CB 3.08Å; M1-A4 PolarHBondContact O-N 2.87Å; M1-Q5 PolarHBondContact O-N 2.85Å |
| 2 | F | 68.5 | Low | 81.9 | Confident | 183 Ų | 183 | 132.5 Ų | 132.5 | 80% | 0.803 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -48.6 | -46 | -168.6 | -89 | -86.5 | 0 | 0 | 0 | 115.9 | A4 Q5 D6 | F2-A4 VanDerWaalsContact C-N 3.35Å; F2-A4 PolarHBondContact O-N 2.83Å; F2-Q5 PolarHBondContact O-N 2.74Å; F2-D6 PolarHBondContact O-N 2.78Å; F2-D6 VanDerWaalsContact O-N 3.15Å |
| 3 | L | 75.1 | Confident | 82.2 | Confident | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.6 | -40.2 | 178.6 | -67.2 | 172.6 | 0 | 0 | 0 | 113.3 | M1 Q5 D6 E7 | M1-L3 PolarHBondContact O-N 3.48Å; M1-L3 VanDerWaalsContact O-N 3.14Å; L3-Q5 VanDerWaalsContact C-N 3.31Å; L3-Q5 PolarHBondContact O-N 2.94Å; L3-D6 PolarHBondContact O-N 2.78Å; L3-E7 PolarHBondContact O-N 2.67Å |
| 4 | A | 76.4 | Confident | 82.2 | Confident | 70 Ų | 70 | 134.2 Ų | 134.2 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.7 | -31.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 F2 Y8 | M1-A4 WeakPolarHBondContact O-CB 3.08Å; M1-A4 PolarHBondContact O-N 2.87Å; F2-A4 VanDerWaalsContact C-N 3.35Å; F2-A4 PolarHBondContact O-N 2.83Å; A4-Y8 WeakPolarHBondContact O-CB 3.28Å; A4-Y8 PolarHBondContact O-N 2.78Å |
| 5 | Q | 85.7 | Confident | 81.9 | Confident | 125 Ų | 125 | 132.8 Ų | 132.8 | 58% | 0.584 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.5 | -35.1 | 174.9 | -167.7 | 167.3 | 12.4 | 0 | 0 | 111.5 | M1 F2 L3 Y8 N9 | M1-Q5 PolarHBondContact O-N 2.85Å; F2-Q5 PolarHBondContact O-N 2.74Å; L3-Q5 VanDerWaalsContact C-N 3.31Å; L3-Q5 PolarHBondContact O-N 2.94Å; Q5-Y8 PolarHBondContact O-N 2.72Å; Q5-N9 WeakPolarHBondContact O-CB 3.11Å; Q5-N9 PolarHBondContact O-N 2.56Å; Q5-N9 PolarHBondContact O-ND2 2.98Å; Q5-N9 VanDerWaalsContact O-ND2 3.14Å |
| 6 | D | 88.1 | Confident | 81.7 | Confident | 111 Ų | 111 | 131.9 Ų | 131.9 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.6 | -34 | 175.6 | -116.2 | 14.7 | 0 | 0 | 0 | 113 | F2 L3 N9 K10 | F2-D6 PolarHBondContact O-N 2.78Å; F2-D6 VanDerWaalsContact O-N 3.15Å; L3-D6 PolarHBondContact O-N 2.78Å; D6-N9 PolarHBondContact O-N 3.4Å; D6-N9 PolarHBondContact OD1-ND2 2.89Å; D6-K10 WeakPolarHBondContact O-CB 3.4Å; D6-K10 PolarHBondContact O-N 3.13Å |
| 7 | E | 83.7 | Confident | 81.4 | Confident | 124 Ų | 124 | 132.4 Ų | 132.4 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59 | -45.1 | 166.2 | -80.1 | -99.4 | 108.5 | 0 | 0 | 111.8 | L3 K10 K11 | L3-E7 PolarHBondContact O-N 2.67Å; E7-K10 PolarHBondContact O-N 3.3Å; E7-K10 IonicContact OE1-NZ 2.88Å; E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 2.87Å |
| 8 | Y | 89 | Confident | 80.9 | Confident | 156 Ų | 156 | 131.2 Ų | 131.2 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.6 | -51.4 | 174.6 | -173.3 | -85 | 0 | 0 | 0 | 111.5 | A4 Q5 K10 K11 E12 | A4-Y8 WeakPolarHBondContact O-CB 3.28Å; A4-Y8 PolarHBondContact O-N 2.78Å; Q5-Y8 PolarHBondContact O-N 2.72Å; Y8-K10 PolarHBondContact O-N 2.61Å; Y8-K11 PolarHBondContact O-N 2.75Å; Y8-K11 VanDerWaalsContact O-N 3.16Å; Y8-E12 WeakPolarHBondContact O-CB 3.38Å; Y8-E12 PolarHBondContact O-N 3.35Å |
| 9 | N | 90.1 | Very high | 80.3 | Confident | 58 Ų | 58 | 128.1 Ų | 128.1 | 31% | 0.31 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -56.2 | -38.1 | 176.6 | -69 | -29.3 | 0 | 0 | 0 | 112.5 | Q5 D6 R13 | Q5-N9 WeakPolarHBondContact O-CB 3.11Å; Q5-N9 PolarHBondContact O-N 2.56Å; Q5-N9 PolarHBondContact O-ND2 2.98Å; Q5-N9 VanDerWaalsContact O-ND2 3.14Å; D6-N9 PolarHBondContact O-N 3.4Å; D6-N9 PolarHBondContact OD1-ND2 2.89Å; N9-R13 VanDerWaalsContact O-CB 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.29Å; N9-R13 VanDerWaalsContact O-CG 3.27Å; N9-R13 WeakPolarHBondContact O-CG 3.45Å; N9-R13 PolarHBondContact O-N 3.2Å |
| 10 | K | 89.5 | Confident | 79.7 | Confident | 131 Ų | 131 | 128.6 Ų | 128.6 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72 | -39.8 | 179.4 | -174.4 | -179.7 | 177.9 | -168.5 | 0 | 111.6 | D6 E7 Y8 N14 | D6-K10 WeakPolarHBondContact O-CB 3.4Å; D6-K10 PolarHBondContact O-N 3.13Å; E7-K10 PolarHBondContact O-N 3.3Å; E7-K10 IonicContact OE1-NZ 2.88Å; Y8-K10 PolarHBondContact O-N 2.61Å; K10-N14 PolarHBondContact O-N 3.14Å; K10-N14 VanDerWaalsContact O-N 3.12Å; K10-N14 PolarHBondContact O-ND2 2.68Å |
| 11 | K | 85.1 | Confident | 78.9 | Confident | 155 Ų | 155 | 129.9 Ų | 129.9 | 67% | 0.674 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.4 | -42.7 | 176.2 | -158.6 | 168.9 | -171.9 | 172.4 | 0 | 111.6 | E7 Y8 N14 N15 | E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 2.87Å; Y8-K11 PolarHBondContact O-N 2.75Å; Y8-K11 VanDerWaalsContact O-N 3.16Å; K11-N14 PolarHBondContact O-N 3.07Å; K11-N15 PolarHBondContact O-N 3.17Å |
| 12 | E | 89.1 | Confident | 78.9 | Confident | 111 Ų | 111 | 128.7 Ų | 128.7 | 52% | 0.519 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.4 | -45.3 | 175.9 | -166.7 | -178.9 | -139.8 | 0 | 0 | 111.8 | Y8 N14 N15 L16 | Y8-E12 WeakPolarHBondContact O-CB 3.38Å; Y8-E12 PolarHBondContact O-N 3.35Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 3.44Å; E12-N15 PolarHBondContact O-N 3.15Å; E12-L16 WeakPolarHBondContact O-CB 3.23Å; E12-L16 PolarHBondContact O-N 3.38Å |
| 13 | R | 86 | Confident | 78.1 | Confident | 191 Ų | 191 | 126 Ų | 126 | 72% | 0.721 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58.4 | -38.1 | 173.7 | -81 | 177.8 | 177.1 | 167.7 | 3.6 | 113.1 | N9 K17 | N9-R13 VanDerWaalsContact O-CB 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.29Å; N9-R13 VanDerWaalsContact O-CG 3.27Å; N9-R13 WeakPolarHBondContact O-CG 3.45Å; N9-R13 PolarHBondContact O-N 3.2Å; R13-K17 WeakPolarHBondContact O-CB 3.43Å; R13-K17 PolarHBondContact O-N 2.99Å |
| 14 | N | 82.6 | Confident | 76.5 | Confident | 98 Ų | 98 | 127.9 Ų | 127.9 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.5 | -44.8 | 176.5 | -78.7 | -17.9 | 0 | 0 | 0 | 111.8 | K10 K11 E12 L16 K17 V18 | K10-N14 PolarHBondContact O-N 3.14Å; K10-N14 VanDerWaalsContact O-N 3.12Å; K10-N14 PolarHBondContact O-ND2 2.68Å; K11-N14 PolarHBondContact O-N 3.07Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 3.44Å; N14-L16 PolarHBondContact O-N 2.96Å; N14-K17 PolarHBondContact O-N 3.27Å; N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.14Å |
| 15 | N | 77.2 | Confident | 74.9 | Confident | 113 Ų | 113 | 130.1 Ų | 130.1 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.4 | -42.1 | 174.7 | -78.1 | -15.4 | 0 | 0 | 0 | 112.2 | K11 E12 K17 V18 A19 | K11-N15 PolarHBondContact O-N 3.17Å; E12-N15 PolarHBondContact O-N 3.15Å; N15-K17 VanDerWaalsContact C-N 3.28Å; N15-K17 PolarHBondContact O-N 3.25Å; N15-V18 PolarHBondContact O-N 2.94Å; N15-A19 WeakPolarHBondContact O-CB 3.29Å; N15-A19 PolarHBondContact O-N 3.4Å |
| 16 | L | 79 | Confident | 72.8 | Confident | 118 Ų | 118 | 128.3 Ų | 128.3 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.8 | -32.5 | 177.2 | -157.5 | 75.4 | 0 | 0 | 0 | 112.3 | E12 N14 | E12-L16 WeakPolarHBondContact O-CB 3.23Å; E12-L16 PolarHBondContact O-N 3.38Å; N14-L16 PolarHBondContact O-N 2.96Å |
| 17 | K | 76.5 | Confident | 70.6 | Confident | 140 Ų | 140 | 131.7 Ų | 131.7 | 61% | 0.609 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71 | -44.4 | 175.2 | -167 | 177.9 | 179.9 | -172.6 | 0 | 111.9 | R13 N14 N15 A19 L20 | R13-K17 WeakPolarHBondContact O-CB 3.43Å; R13-K17 PolarHBondContact O-N 2.99Å; N14-K17 PolarHBondContact O-N 3.27Å; N15-K17 VanDerWaalsContact C-N 3.28Å; N15-K17 PolarHBondContact O-N 3.25Å; K17-A19 VanDerWaalsContact C-N 3.27Å; K17-A19 PolarHBondContact O-N 2.9Å; K17-L20 PolarHBondContact O-N 2.81Å; K17-L20 VanDerWaalsContact O-N 3.14Å |
| 18 | V | 73.2 | Confident | 68.6 | Low | 111 Ų | 111 | 132.7 Ų | 132.7 | 67% | 0.673 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63.2 | -33.4 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | N14 N15 L20 | N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.14Å; N15-V18 PolarHBondContact O-N 2.94Å; V18-L20 PolarHBondContact O-N 3.28Å |
| 19 | A | 69.7 | Low | 66.2 | Low | 73 Ų | 73 | 132.8 Ų | 132.8 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -16 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N15 K17 | N15-A19 WeakPolarHBondContact O-CB 3.29Å; N15-A19 PolarHBondContact O-N 3.4Å; K17-A19 VanDerWaalsContact C-N 3.27Å; K17-A19 PolarHBondContact O-N 2.9Å |
| 20 | L | 68 | Low | 63.8 | Low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -12.1 | -174.8 | -95.7 | 160.1 | 0 | 0 | 0 | 114.7 | K17 V18 | K17-L20 PolarHBondContact O-N 2.81Å; K17-L20 VanDerWaalsContact O-N 3.14Å; V18-L20 PolarHBondContact O-N 3.28Å |
| 21 | E | 63.2 | Low | 61.4 | Low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | | | trans | -99.2 | 86.5 | 176.3 | -69.7 | -169.6 | 107.9 | 0 | 0 | 112 | | |
| 22 | K | 61 | Low | 59.4 | Low | 189 Ų | 189 | 139.1 Ų | 139.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -128 | 111.8 | 170 | -84 | -173 | 176.3 | 176.8 | 0 | 112.9 | | |
| 23 | P | 52.4 | Low | 57.1 | Low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | | | trans | -88.2 | 150.6 | 157.5 | 33.8 | -30.1 | 0 | 0 | 0 | 111.5 | | |
| 24 | Q | 40.5 | Very low | 54.9 | Low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | trans | -113.6 | 135.4 | 173.8 | -56 | 173.9 | -69.9 | 0 | 0 | 110.6 | | |
| 25 | S | 43.5 | Very low | 53 | Low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 177.3 | 139.9 | 147.8 | 54.3 | 0 | 0 | 0 | 0 | 114 | | |
| 26 | A | 42.4 | Very low | 51.8 | Low | 87 Ų | 87 | 143.4 Ų | 143.4 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | | | trans | 53 | 120.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 27 | E | 41.1 | Very low | 50.5 | Low | 182 Ų | 182 | 143.5 Ų | 143.5 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | | 67.4 | 106.6 | 54.7 | -64 | -165.8 | 123 | 0 | 0 | 116.1 | | |
| 28 | T | 41.2 | Very low | 49.4 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | | | | -172.9 | 168.2 | 109.7 | 21.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 29 | L | 38.4 | Very low | 48.4 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -87.2 | 148.8 | -168.2 | -75.2 | 65.6 | 0 | 0 | 0 | 114.2 | | |
| 30 | A | 41.2 | Very low | 46.8 | Very low | 104 Ų | 104 | 150 Ų | 150 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -139 | 140.3 | 142 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 31 | R | 39 | Very low | 45.8 | Very low | 226 Ų | 226 | 153 Ų | 153 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -114.7 | 135.2 | 179.2 | -82.4 | 174.3 | 160.7 | 173.1 | -7.8 | 110.4 | | |
| 32 | T | 41.6 | Very low | 44.8 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | | | trans | -139.6 | 153.9 | 151.2 | 34.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 33 | T | 41.4 | Very low | 43.8 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 77% | 0.767 | 83% | 0.828 | S | S | * | * | | | trans | -115.3 | 134.4 | -154 | -40.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 34 | Y | 40 | Very low | 43.4 | Very low | 217 Ų | 217 | 151.2 Ų | 151.2 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | | | trans | -98.8 | 140.5 | 163.2 | -118 | -97.4 | 0 | 0 | 0 | 109.6 | | |
| 35 | T | 43.1 | Very low | 43.6 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | | | trans | -127.4 | 119.7 | 178.3 | -54.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 36 | I | 50.9 | Low | 43.4 | Very low | 138 Ų | 138 | 152.9 Ų | 152.9 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | | | trans | -126.2 | 130.9 | 170.7 | -60.9 | 178.1 | 0 | 0 | 0 | 106.6 | | |
| 37 | P | 52.3 | Low | 43.3 | Very low | 120 Ų | 120 | 155.1 Ų | 155.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 147.3 | -174.9 | 31.3 | -35.1 | 0 | 0 | 0 | 112.5 | | |
| 38 | I | 52.8 | Low | 43.3 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 127.6 | 174.9 | -59.2 | 172.3 | 0 | 0 | 0 | 108.4 | | |
| 39 | P | 52.3 | Low | 43.4 | Very low | 118 Ų | 118 | 156.8 Ų | 156.8 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 142.6 | 171.5 | 30.6 | -33.5 | 0 | 0 | 0 | 111 | | |
| 40 | Q | 36.7 | Very low | 43.7 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 133 | 177.6 | -55.7 | 178.6 | -75.4 | 0 | 0 | 110.4 | | |
| 41 | E | 46.7 | Very low | 43.8 | Very low | 199 Ų | 199 | 159.2 Ų | 159.2 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | trans | -133.2 | 169 | 157.3 | -74.9 | -147.6 | 155.2 | 0 | 0 | 111.7 | | |
| 42 | A | 42.7 | Very low | 44.2 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -76.5 | 144.9 | -147.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 43 | T | 39.8 | Very low | 44.2 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -116.5 | 118.4 | 156.1 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 44 | E | 44.6 | Very low | 44.5 | Very low | 192 Ų | 192 | 152.3 Ų | 152.3 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -92.7 | 174.7 | 173.1 | -152 | 167.6 | -152.3 | 0 | 0 | 110.6 | | |
| 45 | E | 43.1 | Very low | 44.6 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -62.9 | 166 | -170.2 | -35.5 | -171.9 | 118.7 | 0 | 0 | 113.7 | | |
| 46 | R | 39.4 | Very low | 44.6 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | cis | -178.7 | 157.7 | 48.2 | -139.2 | 171.6 | -157.4 | -174 | 1.3 | 115.6 | | |
| 47 | N | 40.4 | Very low | 44.4 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | | | trans | 63.6 | 114.1 | 150.2 | -69.6 | -25.7 | 0 | 0 | 0 | 122.4 | | |
| 48 | E | 41.6 | Very low | 43.9 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | | | | -133.6 | 111.9 | 127.9 | -74.2 | -163.6 | 158.1 | 0 | 0 | 108.4 | | |
| 49 | E | 42.7 | Very low | 43.5 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | | 60.5 | 126.5 | 99.8 | -174.4 | 167.6 | 172 | 0 | 0 | 117.3 | | |
| 50 | K | 44.7 | Very low | 43.4 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -163.2 | 121.3 | 141.9 | -111.4 | 158.4 | -174.7 | 155.7 | 0 | 115.6 | | |
| 51 | V | 44.8 | Very low | 43.9 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | | | trans | 68.9 | 115.4 | 151.1 | -166.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 52 | P | 45.7 | Very low | 43.5 | Very low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | trans | -104.7 | 165.4 | 164.4 | 38.9 | -33 | 0 | 0 | 0 | 113.7 | | |
| 53 | T | 43.5 | Very low | 43.5 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -162.6 | 134.6 | 159 | -17.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 54 | S | 46.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 65.1 | 146.2 | 161.9 | -54.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 55 | A | 42.2 | Very low | 43.7 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | cis | -170.7 | 179.1 | -17.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 56 | E | 44.2 | Very low | 43.5 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | cis | -162.7 | 163.5 | 5.8 | -150.6 | -163.2 | 137 | 0 | 0 | 108.7 | | |
| 57 | V | 45.2 | Very low | 43.5 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | trans | 66.3 | 135.8 | 153.6 | 156.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 58 | A | 43.2 | Very low | 43.5 | Very low | 70 Ų | 70 | 141 Ų | 141 | 58% | 0.579 | 79% | 0.793 | S | S | * | * | | | cis | -169.9 | 156.6 | -15.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 59 | T | 44.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | | | trans | 70.1 | 124.9 | 143.8 | 45.6 | 0 | 0 | 0 | 0 | 124.9 | | |
| 60 | E | 49.9 | Very low | 43.3 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | 68.9 | 117.9 | 141.6 | -66.4 | -173 | 115.2 | 0 | 0 | 121.9 | | |
| 61 | G | 46.6 | Very low | 43.2 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 171.4 | 49.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 62 | Q | 38.4 | Very low | 43.4 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | | | trans | 71.6 | 145.3 | 163.8 | -60.1 | -178 | -124.4 | 0 | 0 | 120.7 | | |
| 63 | E | 42.1 | Very low | 43.5 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -90 | -171.4 | 171.9 | -37.1 | 170.6 | 118.4 | 0 | 0 | 110.8 | | |
| 64 | P | 46.6 | Very low | 43.3 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | | | cis | -142 | 172.1 | -1.6 | 35.1 | -13.5 | 0 | 0 | 0 | 118.2 | | |
| 65 | K | 42.2 | Very low | 43.2 | Very low | 188 Ų | 188 | 139 Ų | 139 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | 130.4 | 134.4 | 138.1 | -74.5 | -176.8 | 175.5 | -173.8 | 0 | 115.5 | | |
| 66 | S | 39.2 | Very low | 43.5 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | 44.5 | 139.8 | 146.6 | 59.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 67 | T | 39.8 | Very low | 43.4 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | cis | -132.4 | 175.4 | 23.9 | 41.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 68 | N | 39.1 | Very low | 43.8 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -67.6 | 152.3 | 164.8 | -67.5 | -16 | 0 | 0 | 0 | 110.6 | | |
| 69 | L | 38.2 | Very low | 44.5 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -138.6 | 106.1 | 165.3 | -139.1 | 163.8 | 0 | 0 | 0 | 105.8 | | |
| 70 | E | 42.8 | Very low | 45.1 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | | | trans | -99.7 | 113.1 | -173.6 | -172.6 | 176.1 | 131 | 0 | 0 | 108.5 | K72 | E70-K72 WeakPolarHBondContact OE1-CE 3.44Å; E70-K72 IonicContact OE1-NZ 2.81Å; E70-K72 PolarHBondContact OE1-NZ 3.43Å; E70-K72 VanDerWaalsContact OE1-NZ 3.12Å |
| 71 | V | 42.2 | Very low | 45.4 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | | | trans | -84.5 | 128.5 | 178.3 | 180 | 0 | 0 | 0 | 0 | 109 | | |
| 72 | K | 49.9 | Very low | 46.2 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | | | trans | -128.5 | 105.8 | 166.5 | -73.8 | -179.4 | -179.3 | 161.1 | 0 | 107.9 | E70 | E70-K72 WeakPolarHBondContact OE1-CE 3.44Å; E70-K72 IonicContact OE1-NZ 2.81Å; E70-K72 PolarHBondContact OE1-NZ 3.43Å; E70-K72 VanDerWaalsContact OE1-NZ 3.12Å |
| 73 | D | 47.4 | Very low | 47.5 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | | | trans | -72 | 144 | 172.6 | -63.1 | -57.9 | 0 | 0 | 0 | 110.2 | | |
| 74 | G | 39.4 | Very low | 48.6 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | | | trans | -74.9 | 160.3 | -162.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 75 | L | 44.8 | Very low | 49.8 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 90% | 0.901 | 71% | 0.711 | S | S | * | * | | | trans | -154.9 | 70.8 | 169 | -129.4 | 170.9 | 0 | 0 | 0 | 109.4 | | |
| 76 | E | 48.9 | Very low | 51.4 | Low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | | | trans | -115 | 124 | 177.8 | -70 | 179.3 | 158.3 | 0 | 0 | 109.8 | | |
| 77 | T | 41.6 | Very low | 53.2 | Low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | | | trans | 173.5 | 81.4 | 161.9 | 17.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 78 | N | 52.6 | Low | 55.1 | Low | 116 Ų | 116 | 132.8 Ų | 132.8 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | | | trans | -167 | -3.1 | 159.2 | -118.6 | -64.5 | 0 | 0 | 0 | 118.1 | E80 Q81 | N78-E80 PolarHBondContact O-N 3.18Å; N78-E80 VanDerWaalsContact O-N 3.11Å; N78-Q81 PolarHBondContact O-N 3.43Å |
| 79 | D | 57.7 | Low | 57.1 | Low | 118 Ų | 118 | 127.9 Ų | 127.9 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.8 | -24.6 | -168.8 | -64.1 | -77.3 | 0 | 0 | 0 | 115.3 | Q81 V82 T83 | D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 2.87Å; D79-V82 WeakPolarHBondContact O-CA 3.31Å; D79-V82 WeakPolarHBondContact O-CB 3.36Å; D79-V82 PolarHBondContact O-N 3.16Å; D79-T83 PolarHBondContact O-N 2.9Å; D79-T83 PolarHBondContact O-OG1 3.26Å |
| 80 | E | 58.4 | Low | 59.3 | Low | 160 Ų | 160 | 123 Ų | 123 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68 | -22.5 | -177.5 | -161.8 | 171.8 | -141.1 | 0 | 0 | 114.3 | N78 T83 N84 | N78-E80 PolarHBondContact O-N 3.18Å; N78-E80 VanDerWaalsContact O-N 3.11Å; E80-T83 PolarHBondContact O-OG1 3.29Å; E80-N84 PolarHBondContact O-ND2 3.02Å |
| 81 | Q | 54.9 | Low | 61.2 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 54% | 0.542 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -83.8 | -21.9 | 167.1 | -73 | -160 | 27.9 | 0 | 0 | 113 | N78 D79 R85 | N78-Q81 PolarHBondContact O-N 3.43Å; D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 2.87Å; Q81-R85 WeakPolarHBondContact O-CG 3.48Å; Q81-R85 PolarHBondContact O-N 3.03Å |
| 82 | V | 65.1 | Low | 63.2 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 53% | 0.533 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -80.6 | -37.8 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | D79 R86 | D79-V82 WeakPolarHBondContact O-CA 3.31Å; D79-V82 WeakPolarHBondContact O-CB 3.36Å; D79-V82 PolarHBondContact O-N 3.16Å; V82-R86 WeakPolarHBondContact O-CB 3.48Å; V82-R86 PolarHBondContact O-N 3.23Å |
| 83 | T | 64.2 | Low | 65 | Low | 74 Ų | 74 | 118.6 Ų | 118.6 | 45% | 0.454 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64 | -49.5 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | D79 E80 R85 R86 N87 | D79-T83 PolarHBondContact O-N 2.9Å; D79-T83 PolarHBondContact O-OG1 3.26Å; E80-T83 PolarHBondContact O-OG1 3.29Å; T83-R85 PolarHBondContact O-N 2.89Å; T83-R86 WeakPolarHBondContact O-CB 3.15Å; T83-R86 PolarHBondContact O-N 3.33Å; T83-R86 VanDerWaalsContact O-N 3.08Å; T83-N87 PolarHBondContact O-N 3.47Å; T83-N87 VanDerWaalsContact O-N 3.07Å |
| 84 | N | 64.9 | Low | 66.9 | Low | 92 Ų | 92 | 114.5 Ų | 114.5 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59 | -48.6 | -179.1 | -80.9 | -51.9 | 0 | 0 | 0 | 112.7 | E80 R86 N87 E88 | E80-N84 PolarHBondContact O-ND2 3.02Å; N84-R86 PolarHBondContact O-N 3.12Å; N84-N87 PolarHBondContact O-N 2.65Å; N84-N87 VanDerWaalsContact O-N 3.13Å; N84-E88 PolarHBondContact O-N 3.04Å |
| 85 | R | 73.7 | Confident | 69.1 | Low | 165 Ų | 165 | 118.2 Ų | 118.2 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.5 | -28.1 | 176 | -69.4 | -174 | -165.5 | -167.4 | 7.5 | 113.6 | Q81 T83 A89 | Q81-R85 WeakPolarHBondContact O-CG 3.48Å; Q81-R85 PolarHBondContact O-N 3.03Å; T83-R85 PolarHBondContact O-N 2.89Å; R85-A89 WeakPolarHBondContact O-CB 3.48Å; R85-A89 PolarHBondContact O-N 3.45Å; R85-A89 VanDerWaalsContact O-N 3.13Å |
| 86 | R | 75.4 | Confident | 71.1 | Confident | 196 Ų | 196 | 115.6 Ų | 115.6 | 74% | 0.74 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.4 | -34.5 | 177.1 | -165.2 | 173.3 | -169 | 152 | 3.4 | 111.8 | V82 T83 N84 A90 | V82-R86 WeakPolarHBondContact O-CB 3.48Å; V82-R86 PolarHBondContact O-N 3.23Å; T83-R86 WeakPolarHBondContact O-CB 3.15Å; T83-R86 PolarHBondContact O-N 3.33Å; T83-R86 VanDerWaalsContact O-N 3.08Å; N84-R86 PolarHBondContact O-N 3.12Å; R86-A90 PolarHBondContact O-N 3.02Å; R86-A90 VanDerWaalsContact O-N 3.14Å |
| 87 | N | 77 | Confident | 72.8 | Confident | 97 Ų | 97 | 113.2 Ų | 113.2 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.6 | -44 | 174.6 | -67.2 | -6.8 | 0 | 0 | 0 | 111.3 | T83 N84 A89 A90 I91 | T83-N87 PolarHBondContact O-N 3.47Å; T83-N87 VanDerWaalsContact O-N 3.07Å; N84-N87 PolarHBondContact O-N 2.65Å; N84-N87 VanDerWaalsContact O-N 3.13Å; N87-A89 VanDerWaalsContact C-N 3.33Å; N87-A89 PolarHBondContact O-N 3.06Å; N87-A90 PolarHBondContact O-N 3.41Å; N87-I91 WeakPolarHBondContact O-CG1 3.26Å; N87-I91 PolarHBondContact O-N 3.35Å |
| 88 | E | 79.9 | Confident | 74.8 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.1 | -46.1 | 173.5 | -70.2 | 175.2 | 157.5 | 0 | 0 | 111.9 | N84 A90 I91 L92 | N84-E88 PolarHBondContact O-N 3.04Å; E88-A90 PolarHBondContact O-N 2.87Å; E88-I91 PolarHBondContact O-N 3.47Å; E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.38Å |
| 89 | A | 80.1 | Confident | 76.1 | Confident | 50 Ų | 50 | 112.3 Ų | 112.3 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.8 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R85 N87 I91 L92 T93 | R85-A89 WeakPolarHBondContact O-CB 3.48Å; R85-A89 PolarHBondContact O-N 3.45Å; R85-A89 VanDerWaalsContact O-N 3.13Å; N87-A89 VanDerWaalsContact C-N 3.33Å; N87-A89 PolarHBondContact O-N 3.06Å; A89-I91 PolarHBondContact O-N 3.34Å; A89-L92 PolarHBondContact O-N 3.34Å; A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 3.14Å; A89-T93 VanDerWaalsContact O-OG1 3.1Å |
| 90 | A | 84 | Confident | 77.2 | Confident | 61 Ų | 61 | 112 Ų | 112 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.5 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R86 N87 E88 S94 | R86-A90 PolarHBondContact O-N 3.02Å; R86-A90 VanDerWaalsContact O-N 3.14Å; N87-A90 PolarHBondContact O-N 3.41Å; E88-A90 PolarHBondContact O-N 2.87Å; A90-S94 PolarHBondContact O-N 3.4Å; A90-S94 PolarHBondContact O-OG 3.06Å |
| 91 | I | 83.2 | Confident | 78.4 | Confident | 116 Ų | 116 | 110.3 Ų | 110.3 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.9 | -40.1 | 177 | -66.9 | 164.7 | 0 | 0 | 0 | 111.1 | N87 E88 A89 S94 Y95 | N87-I91 WeakPolarHBondContact O-CG1 3.26Å; N87-I91 PolarHBondContact O-N 3.35Å; E88-I91 PolarHBondContact O-N 3.47Å; A89-I91 PolarHBondContact O-N 3.34Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 2.96Å; I91-Y95 PolarHBondContact O-N 3.21Å; I91-Y95 VanDerWaalsContact O-N 3.12Å |
| 92 | L | 84.4 | Confident | 79.4 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 65% | 0.654 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 175.6 | -72.9 | 168.9 | 0 | 0 | 0 | 111.8 | E88 A89 S94 Y95 E96 | E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.38Å; A89-L92 PolarHBondContact O-N 3.34Å; L92-S94 PolarHBondContact O-N 3.29Å; L92-Y95 PolarHBondContact O-N 2.99Å; L92-E96 PolarHBondContact O-N 3.21Å |
| 93 | T | 87.2 | Confident | 79.6 | Confident | 89 Ų | 89 | 107.9 Ų | 107.9 | 55% | 0.546 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -35.2 | 178.3 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | A89 H97 | A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 3.14Å; A89-T93 VanDerWaalsContact O-OG1 3.1Å; T93-H97 WeakPolarHBondContact O-CB 3.32Å; T93-H97 PolarHBondContact O-N 2.91Å |
| 94 | S | 87.6 | Confident | 80 | Confident | 66 Ų | 66 | 111.9 Ų | 111.9 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.4 | -35.3 | 175.8 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | A90 I91 L92 L98 | A90-S94 PolarHBondContact O-N 3.4Å; A90-S94 PolarHBondContact O-OG 3.06Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 2.96Å; L92-S94 PolarHBondContact O-N 3.29Å; S94-L98 WeakPolarHBondContact O-CB 3.27Å; S94-L98 PolarHBondContact O-N 2.72Å |
| 95 | Y | 85.8 | Confident | 80 | Confident | 154 Ų | 154 | 115 Ų | 115 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.5 | -40.4 | 175.3 | -155.3 | -108.9 | 0 | 0 | 0 | 112.3 | I91 L92 L98 Q99 | I91-Y95 PolarHBondContact O-N 3.21Å; I91-Y95 VanDerWaalsContact O-N 3.12Å; L92-Y95 PolarHBondContact O-N 2.99Å; Y95-L98 PolarHBondContact O-N 3.12Å; Y95-Q99 PolarHBondContact O-N 2.96Å |
| 96 | E | 85.9 | Confident | 79.3 | Confident | 117 Ų | 117 | 111.2 Ų | 111.2 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.3 | -43.3 | 173.9 | -172.7 | 175 | -165.5 | 0 | 0 | 111.8 | L92 L98 Q99 Q100 | L92-E96 PolarHBondContact O-N 3.21Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.28Å; E96-Q99 PolarHBondContact O-N 2.74Å; E96-Q100 PolarHBondContact O-N 3.07Å |
| 97 | H | 85.1 | Confident | 78.2 | Confident | 126 Ų | 126 | 109.3 Ų | 109.3 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -31.1 | 176.4 | -165.5 | -40.8 | 0 | 0 | 0 | 112.6 | T93 K101 | T93-H97 WeakPolarHBondContact O-CB 3.32Å; T93-H97 PolarHBondContact O-N 2.91Å; H97-K101 WeakPolarHBondContact O-CB 3.38Å; H97-K101 PolarHBondContact O-N 3.31Å; H97-K101 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 83.6 | Confident | 76.9 | Confident | 116 Ų | 116 | 109.9 Ų | 109.9 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.1 | -42.8 | 171.4 | -96.4 | 156.4 | 0 | 0 | 0 | 111.7 | S94 Y95 E96 K101 A102 | S94-L98 WeakPolarHBondContact O-CB 3.27Å; S94-L98 PolarHBondContact O-N 2.72Å; Y95-L98 PolarHBondContact O-N 3.12Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.28Å; L98-K101 PolarHBondContact O-N 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.47Å; L98-A102 PolarHBondContact O-N 3.24Å |
| 99 | Q | 81.2 | Confident | 75.6 | Confident | 113 Ų | 113 | 113.5 Ų | 113.5 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | 176 | -70.7 | -176.4 | 22.4 | 0 | 0 | 112.6 | Y95 E96 A102 T103 | Y95-Q99 PolarHBondContact O-N 2.96Å; E96-Q99 PolarHBondContact O-N 2.74Å; Q99-A102 PolarHBondContact O-N 2.89Å; Q99-T103 WeakPolarHBondContact O-CB 3.39Å; Q99-T103 PolarHBondContact O-N 3.25Å; Q99-T103 PolarHBondContact O-OG1 3.47Å |
| 100 | Q | 80.6 | Confident | 74 | Confident | 112 Ų | 112 | 117.6 Ų | 117.6 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.7 | -48.6 | 173.7 | -76 | -177 | -7.3 | 0 | 0 | 111.2 | E96 A102 T103 E104 | E96-Q100 PolarHBondContact O-N 3.07Å; Q100-A102 VanDerWaalsContact C-N 3.35Å; Q100-A102 PolarHBondContact O-N 3.01Å; Q100-T103 PolarHBondContact O-N 3.08Å; Q100-T103 VanDerWaalsContact O-N 3.12Å; Q100-E104 PolarHBondContact O-N 2.72Å |
| 101 | K | 83.6 | Confident | 72.2 | Confident | 124 Ų | 124 | 122.3 Ų | 122.3 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.1 | -36.5 | 179.9 | -168.6 | 179.7 | 177.9 | -170.2 | 0 | 113 | H97 L98 Q105 | H97-K101 WeakPolarHBondContact O-CB 3.38Å; H97-K101 PolarHBondContact O-N 3.31Å; H97-K101 VanDerWaalsContact O-N 3.08Å; L98-K101 PolarHBondContact O-N 3.32Å; K101-Q105 PolarHBondContact O-N 3.41Å |
| 102 | A | 74.6 | Confident | 70.2 | Confident | 62 Ų | 62 | 126.5 Ų | 126.5 | 51% | 0.512 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -65.9 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L98 Q99 Q100 Q105 | L98-A102 WeakPolarHBondContact O-CB 3.47Å; L98-A102 PolarHBondContact O-N 3.24Å; Q99-A102 PolarHBondContact O-N 2.89Å; Q100-A102 VanDerWaalsContact C-N 3.35Å; Q100-A102 PolarHBondContact O-N 3.01Å; A102-Q105 PolarHBondContact O-N 3.08Å |
| 103 | T | 70.3 | Confident | 68.4 | Low | 91 Ų | 91 | 129.3 Ų | 129.3 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.3 | -44.3 | 177.6 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | Q99 Q100 Q105 S106 | Q99-T103 WeakPolarHBondContact O-CB 3.39Å; Q99-T103 PolarHBondContact O-N 3.25Å; Q99-T103 PolarHBondContact O-OG1 3.47Å; Q100-T103 PolarHBondContact O-N 3.08Å; Q100-T103 VanDerWaalsContact O-N 3.12Å; T103-Q105 PolarHBondContact O-N 3.4Å; T103-S106 PolarHBondContact O-N 3.41Å; T103-S106 PolarHBondContact O-OG 2.95Å |
| 104 | E | 72.8 | Confident | 66.5 | Low | 157 Ų | 157 | 132.5 Ų | 132.5 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.7 | -16.8 | 175.9 | -71.4 | -174.9 | 158.2 | 0 | 0 | 114.3 | Q100 | Q100-E104 PolarHBondContact O-N 2.72Å |
| 105 | Q | 64.5 | Low | 64.3 | Low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -1.3 | 171.4 | -71.5 | -166.6 | -97.1 | 0 | 0 | 113.8 | K101 A102 T103 | K101-Q105 PolarHBondContact O-N 3.41Å; A102-Q105 PolarHBondContact O-N 3.08Å; T103-Q105 PolarHBondContact O-N 3.4Å |
| 106 | S | 59.3 | Low | 62.3 | Low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | | | trans | -108.8 | 6.7 | -175.6 | 66.6 | 0 | 0 | 0 | 0 | 115.1 | T103 P108 | T103-S106 PolarHBondContact O-N 3.41Å; T103-S106 PolarHBondContact O-OG 2.95Å; S106-P108 WeakPolarHBondContact O-CD 3.38Å |
| 107 | E | 50.9 | Low | 60.2 | Low | 157 Ų | 157 | 143.5 Ų | 143.5 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | trans | -71.6 | 119.2 | 169.5 | -72.5 | -164.5 | 143.5 | 0 | 0 | 110.7 | | |
| 108 | P | 50.4 | Low | 58.1 | Low | 109 Ų | 109 | 142.8 Ų | 142.8 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | | | trans | -68.4 | 140.2 | 174.5 | 29.4 | -34 | 0 | 0 | 0 | 110.4 | S106 | S106-P108 WeakPolarHBondContact O-CD 3.38Š|
| 109 | K | 51.8 | Low | 56.2 | Low | 196 Ų | 196 | 145 Ų | 145 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | | | trans | -112.9 | 100.6 | 169 | -75.4 | 173.4 | -176.6 | 154.7 | 0 | 108.4 | | |
| 110 | D | 46.8 | Very low | 54.3 | Low | 136 Ų | 136 | 145.8 Ų | 145.8 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -64.7 | 162.6 | 171 | -56.1 | -52 | 0 | 0 | 0 | 111.4 | | |
| 111 | D | 47 | Very low | 52.6 | Low | 159 Ų | 159 | 148.7 Ų | 148.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | 60.7 | 79.3 | 164.4 | -59.7 | -17.4 | 0 | 0 | 0 | 118.7 | | |
| 112 | Q | 40.7 | Very low | 50.6 | Low | 204 Ų | 204 | 151.8 Ų | 151.8 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | | | trans | -150.2 | 127.5 | 133 | -143.9 | 167.6 | 2.9 | 0 | 0 | 114.4 | | |
| 113 | E | 47.7 | Very low | 49 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -76.3 | 143.7 | -179.3 | -59.3 | 161.7 | 95.7 | 0 | 0 | 113.6 | | |
| 114 | L | 45.4 | Very low | 47.7 | Very low | 157 Ų | 157 | 160.3 Ų | 160.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | 166.5 | 93.4 | 147 | -93.2 | 158.4 | 0 | 0 | 0 | 106.8 | | |
| 115 | Q | 42.5 | Very low | 46.2 | Very low | 177 Ų | 177 | 159.1 Ų | 159.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | | 70.5 | 80.8 | 64.1 | -164.5 | -175.3 | 45.8 | 0 | 0 | 114.2 | | |
| 116 | E | 44.6 | Very low | 45.1 | Very low | 199 Ų | 199 | 160.6 Ų | 160.6 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | | | trans | -149.4 | 145 | 143.7 | -113.9 | 165.4 | -157.8 | 0 | 0 | 107.8 | | |
| 117 | Q | 40.1 | Very low | 44.3 | Very low | 192 Ų | 192 | 164.9 Ų | 164.9 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | trans | -107.3 | 157.7 | -168.1 | -102.1 | -173.9 | -30.2 | 0 | 0 | 112.9 | | |
| 118 | P | 40.9 | Very low | 44 | Very low | 111 Ų | 111 | 166.9 Ų | 166.9 | 72% | 0.721 | 83% | 0.832 | S | S | * | * | | | trans | -82.5 | 164.5 | -167.3 | 35.1 | -37.5 | 0 | 0 | 0 | 113.5 | V120 | P118-V120 HydrophobicContact CB-CG2 4.45Š|
| 119 | N | 44.4 | Very low | 43.7 | Very low | 162 Ų | 162 | 169.3 Ų | 169.3 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | | | trans | -125 | 91.4 | 172.7 | -173.2 | 49.4 | 0 | 0 | 0 | 109.6 | | |
| 120 | V | 41.4 | Very low | 43.3 | Very low | 130 Ų | 130 | 169.1 Ų | 169.1 | 79% | 0.788 | 83% | 0.831 | S | S | * | * | | | trans | -115.2 | 99.1 | -179.6 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | P118 | P118-V120 HydrophobicContact CB-CG2 4.45Š|
| 121 | E | 45.3 | Very low | 43.2 | Very low | 172 Ų | 172 | 169.3 Ų | 169.3 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | trans | -173.1 | 101.6 | 161.8 | -117.6 | -178.4 | -176.7 | 0 | 0 | 111.7 | | |
| 122 | Q | 41.3 | Very low | 43.1 | Very low | 190 Ų | 190 | 169.6 Ų | 169.6 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | | | trans | 158.8 | 107 | 143.6 | -92.2 | 159.3 | 89.9 | 0 | 0 | 111.8 | | |
| 123 | L | 40.5 | Very low | 43.1 | Very low | 177 Ų | 177 | 164.4 Ų | 164.4 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | | | | 178.6 | 70 | 123.8 | -98.2 | 164.7 | 0 | 0 | 0 | 111.2 | | |
| 124 | E | 43.8 | Very low | 42.9 | Very low | 155 Ų | 155 | 164.1 Ų | 164.1 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -132.7 | 147.7 | 162.4 | -134.8 | -164.2 | 136 | 0 | 0 | 111.2 | | |
| 125 | N | 39.9 | Very low | 42.8 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | trans | 53 | 83.5 | 163.5 | -59.8 | -40.9 | 0 | 0 | 0 | 118.8 | | |
| 126 | Q | 42 | Very low | 42.9 | Very low | 189 Ų | 189 | 163.3 Ų | 163.3 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -135.2 | 79.3 | 150.9 | -99.1 | -162.7 | 79.2 | 0 | 0 | 112.3 | | |
| 127 | Q | 42 | Very low | 42.7 | Very low | 174 Ų | 174 | 163 Ų | 163 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -169.7 | 78.8 | 142.3 | -112.5 | 164.5 | 106.7 | 0 | 0 | 115.8 | | |
| 128 | E | 46.6 | Very low | 43 | Very low | 199 Ų | 199 | 159.2 Ų | 159.2 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | | | trans | -138.6 | 162.6 | 141 | -154.5 | 148 | -136.9 | 0 | 0 | 110.6 | | |
| 129 | K | 42 | Very low | 43.2 | Very low | 160 Ų | 160 | 161 Ų | 161 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | | | trans | -148.9 | 149.7 | -159.3 | -70.2 | 176.1 | 179.1 | 160.7 | 0 | 113.8 | | |
| 130 | K | 44 | Very low | 43.1 | Very low | 192 Ų | 192 | 160.2 Ų | 160.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | 70.6 | 140.4 | 177.3 | -39.8 | 170.5 | 179.9 | 174.2 | 0 | 110.9 | | |
| 131 | D | 45.8 | Very low | 43 | Very low | 141 Ų | 141 | 160.1 Ų | 160.1 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | cis | -148.2 | 172 | 47.5 | -86.8 | -26.2 | 0 | 0 | 0 | 110.2 | | |
| 132 | E | 45.2 | Very low | 42.8 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | cis | -157.7 | 172.6 | -30.2 | -141.3 | -167.2 | -155.6 | 0 | 0 | 109.1 | | |
| 133 | T | 40.1 | Very low | 42.5 | Very low | 96 Ų | 96 | 154.2 Ų | 154.2 | 59% | 0.589 | 76% | 0.761 | S | S | * | * | | | trans | 60.1 | 89.1 | 144.7 | -56.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 134 | E | 43.8 | Very low | 42.4 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | | 52.6 | 113.8 | 118.1 | -169.1 | 173.7 | -150.3 | 0 | 0 | 121.9 | | |
| 135 | T | 43.1 | Very low | 42 | Very low | 130 Ų | 130 | 155 Ų | 155 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | | | trans | -149.7 | 130 | 146.8 | -41.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 136 | E | 43.7 | Very low | 42 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | 24 | 129.4 | 160.9 | -60.1 | -163.3 | 106.6 | 0 | 0 | 126.2 | | |
| 137 | K | 41.3 | Very low | 42.6 | Very low | 193 Ų | 193 | 153.1 Ų | 153.1 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | -72.7 | -178.1 | 152.4 | -107.3 | 171.3 | -178.7 | 158.2 | 0 | 112.2 | | |
| 138 | P | 45.5 | Very low | 42.7 | Very low | 111 Ų | 111 | 154 Ų | 154 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | | | cis | -125.1 | -142 | -5.9 | 31 | -5.6 | 0 | 0 | 0 | 110.5 | | |
| 139 | E | 45.1 | Very low | 42.3 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | cis | -137.9 | 155.6 | 4.4 | -96.2 | -111.3 | 131.2 | 0 | 0 | 107.1 | | |
| 140 | K | 43.3 | Very low | 42.7 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 64% | 0.635 | 75% | 0.754 | S | S | * | * | | | | 61.6 | 140 | 63.9 | -77.3 | 168.8 | 156.9 | -103.4 | 0 | 114.1 | | |
| 141 | E | 38.7 | Very low | 42.7 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | | | cis | -161.3 | 167.8 | -1.7 | -138.2 | 173.8 | 97.8 | 0 | 0 | 113.2 | | |
| 142 | N | 40.6 | Very low | 42.3 | Very low | 115 Ų | 115 | 154 Ų | 154 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | trans | 82 | 99 | 149.2 | -77.4 | -50.6 | 0 | 0 | 0 | 125 | | |
| 143 | T | 36.4 | Very low | 41.7 | Very low | 123 Ų | 123 | 152 Ų | 152 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | | 62.7 | 133.8 | 98.6 | -54.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 144 | N | 37 | Very low | 41.2 | Very low | 154 Ų | 154 | 155.4 Ų | 155.4 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -155.8 | 118.8 | 157.8 | -135.6 | -24.1 | 0 | 0 | 0 | 113.7 | | |
| 145 | Q | 35.3 | Very low | 40.8 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | | | trans | -168.1 | 142.9 | 146.3 | -112.2 | 164.3 | 92.9 | 0 | 0 | 113.6 | | |
| 146 | E | 41.4 | Very low | 40.4 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | -67.4 | -170.3 | -171.7 | -109.5 | -170.1 | 119.6 | 0 | 0 | 116.9 | | |
| 147 | P | 54.8 | Low | 40.4 | Very low | 103 Ų | 103 | 152.6 Ų | 152.6 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | cis | -138.1 | 171.5 | -14.6 | 28.2 | -6.5 | 0 | 0 | 0 | 116.6 | | |
| 148 | E | 43 | Very low | 40.7 | Very low | 194 Ų | 194 | 153 Ų | 153 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | | | trans | -138.1 | -179.3 | 146.9 | -84.7 | -142.4 | 144.9 | 0 | 0 | 111.7 | | |
| 149 | K | 37.4 | Very low | 40.8 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | | | trans | -103.7 | 166.8 | -152.1 | -61.3 | 164 | 124.2 | -121.7 | 0 | 117.1 | | |
| 150 | E | 52.3 | Low | 40.5 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 64.6 | 92.9 | 138.2 | -78.2 | 157.1 | -175.2 | 0 | 0 | 119.9 | | |
| 151 | E | 43.7 | Very low | 40 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | 43.5 | 106.6 | 139.6 | -57.8 | -173 | 165.6 | 0 | 0 | 121.6 | | |
| 152 | E | 37.6 | Very low | 39.7 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -152.9 | -175.1 | 130.3 | -116.7 | -146 | 107.8 | 0 | 0 | 114.8 | | |
| 153 | N | 32 | Very low | 39.5 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | | | trans | -98.9 | 162.2 | -152.2 | -66.2 | -84.5 | 0 | 0 | 0 | 117.4 | | |
| 154 | F | 30.3 | Very low | 39.3 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 74% | 0.737 | 78% | 0.783 | S | S | * | * | | | trans | 77.8 | 124.2 | 139.1 | -103.5 | -123.4 | 0 | 0 | 0 | 122.4 | | |
| 155 | E | 35.2 | Very low | 39.2 | Very low | 174 Ų | 174 | 154.6 Ų | 154.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | | 49.7 | 117.9 | 118.2 | -160 | 173.8 | -106.7 | 0 | 0 | 121.2 | | |
| 156 | G | 34.1 | Very low | 39.1 | Very low | 69 Ų | 69 | 153.6 Ų | 153.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | 133.8 | 116.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 157 | E | 43.1 | Very low | 39.1 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | | 61.5 | 110.4 | 80.4 | -84.5 | -159.2 | 106.3 | 0 | 0 | 116.8 | | |
| 158 | K | 49.1 | Very low | 38.6 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -1.8 | 126 | 147.7 | 174.1 | 174.3 | -178.4 | 171.4 | 0 | 116.7 | | |
| 159 | P | 46.1 | Very low | 38.9 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | | | | -150.3 | 177.4 | 105.1 | 42.1 | -26.8 | 0 | 0 | 0 | 116.5 | | |
| 160 | E | 40.1 | Very low | 39.4 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | 65.5 | 129 | 158.9 | -71.2 | 166.7 | 141.6 | 0 | 0 | 117.9 | | |
| 161 | K | 31.3 | Very low | 39 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | | | cis | 90.2 | 122.3 | 35 | -78.9 | -168.5 | -174.5 | 175.3 | 0 | 113.5 | | |
| 162 | A | 32.3 | Very low | 39.3 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 55.1 | -170.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 163 | E | 36.5 | Very low | 39.7 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | cis | -119.8 | 160.2 | -8.1 | -64.6 | 177 | 143.1 | 0 | 0 | 106.1 | | |
| 164 | G | 33.7 | Very low | 40.4 | Very low | 63 Ų | 63 | 143 Ų | 143 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | cis | 102 | 151 | 39.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 165 | E | 34 | Very low | 41.1 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | | | trans | 80 | 130.5 | -166.4 | -49.4 | -173 | 153.9 | 0 | 0 | 113.7 | | |
| 166 | Q | 33.6 | Very low | 41.7 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -120.9 | 104.9 | 6.7 | -73.5 | -175.6 | 6.9 | 0 | 0 | 111.2 | | |
| 167 | T | 41.9 | Very low | 42.4 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | | 80.2 | 90.5 | 93.4 | 60.8 | 0 | 0 | 0 | 0 | 117 | | |
| 168 | T | 43.5 | Very low | 42.9 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | | 1.2 | 147.8 | 125.7 | 55.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 169 | P | 48.5 | Very low | 42.8 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | cis | -141.9 | -168.5 | 40.6 | 43.4 | -23 | 0 | 0 | 0 | 114.1 | | |
| 170 | K | 48.6 | Very low | 42.8 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | | | cis | -167.5 | 140.1 | 21.4 | -149 | 168.4 | -174.2 | -73.2 | 0 | 113.4 | | |
| 171 | E | 45 | Very low | 43.3 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | trans | 71.8 | 154.5 | 141.1 | -84 | 169.1 | -159 | 0 | 0 | 123 | | |
| 172 | P | 48.5 | Very low | 43.8 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | | | | -151.1 | -152.2 | -122.7 | 42.5 | -16.7 | 0 | 0 | 0 | 115.9 | | |
| 173 | E | 46.2 | Very low | 44.3 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | | | trans | 70.8 | 143.5 | 153.2 | -74.7 | 159.4 | -167.7 | 0 | 0 | 118.9 | | |
| 174 | E | 47.2 | Very low | 44.3 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | | | cis | -137.7 | -124.7 | -28.7 | -151.2 | -151.3 | 115.6 | 0 | 0 | 107.9 | K176 | E174-K176 VanDerWaalsContact OE1-CG 3.29Å; E174-K176 WeakPolarHBondContact OE1-CG 3.39Å; E174-K176 IonicContact OE1-NZ 2.94Å; E174-K176 PolarHBondContact OE1-NZ 2.95Å; E174-K176 IonicContact OE2-NZ 2.74Å; E174-K176 PolarHBondContact OE2-NZ 3.23Å |
| 175 | E | 45.1 | Very low | 44.5 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | | | cis | -152.2 | 96.7 | -8.1 | -167.1 | 158.3 | -155 | 0 | 0 | 113.5 | | |
| 176 | K | 46.4 | Very low | 44.8 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 54% | 0.543 | 70% | 0.699 | S | S | . | * | | | trans | 66.6 | 175.5 | 152.9 | -52.5 | 173.8 | -177.8 | 63.9 | 0 | 117.6 | E174 | E174-K176 VanDerWaalsContact OE1-CG 3.29Å; E174-K176 WeakPolarHBondContact OE1-CG 3.39Å; E174-K176 IonicContact OE1-NZ 2.94Å; E174-K176 PolarHBondContact OE1-NZ 2.95Å; E174-K176 IonicContact OE2-NZ 2.74Å; E174-K176 PolarHBondContact OE2-NZ 3.23Å |
| 177 | E | 48.9 | Very low | 45.2 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | | | cis | -146.8 | -161.1 | 4.8 | -143.1 | 167 | -152.1 | 0 | 0 | 111.3 | | |
| 178 | P | 54.7 | Low | 45.1 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 62% | 0.617 | 69% | 0.694 | S | S | * | * | | | | -133.7 | -164.4 | -107.4 | 50.2 | -34.6 | 0 | 0 | 0 | 119.1 | | |
| 179 | E | 47.4 | Very low | 44.9 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | 77.5 | 138.6 | 157.5 | -70 | 175.4 | -179.5 | 0 | 0 | 118.6 | | |
| 180 | E | 44.5 | Very low | 44.7 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | | | cis | 122.7 | 157.9 | 9.2 | -91.3 | -139.2 | 151.2 | 0 | 0 | 112.1 | | |
| 181 | P | 52.2 | Low | 44.4 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 56% | 0.558 | 70% | 0.697 | S | S | * | * | | | | -141.8 | -151.8 | -71 | 36.5 | -12.1 | 0 | 0 | 0 | 113.5 | | |
| 182 | Q | 41.1 | Very low | 44.2 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 76% | 0.757 | 70% | 0.7 | S | S | * | * | | | trans | 86.6 | 151.1 | 163.6 | -46.3 | -176.7 | 20.8 | 0 | 0 | 116.8 | | |
| 183 | N | 42.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | | | cis | -152.2 | 159.3 | 1.8 | -137.8 | 1.7 | 0 | 0 | 0 | 116.5 | | |
| 184 | T | 37.4 | Very low | 43.4 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 63% | 0.632 | 70% | 0.703 | S | S | * | * | | | trans | -24.1 | 169.4 | 158.6 | 55.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 185 | Q | 38.6 | Very low | 43 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 71% | 0.71 | 71% | 0.71 | S | S | * | * | | | cis | 167.3 | 158.9 | -18 | -169.5 | -172.5 | -13 | 0 | 0 | 109.5 | | |
| 186 | N | 39.2 | Very low | 42.7 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | | | trans | 84.5 | 138.6 | 144.5 | -107.7 | 32.4 | 0 | 0 | 0 | 123.1 | | |
| 187 | E | 42.4 | Very low | 42.4 | Very low | 142 Ų | 142 | 137 Ų | 137 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | | | trans | 74.1 | 142.9 | 146 | -70.3 | 175 | 102.2 | 0 | 0 | 119.1 | | |
| 188 | Q | 40.5 | Very low | 42.1 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | cis | -159 | 156.8 | 11.9 | -126.9 | 166.3 | 41.4 | 0 | 0 | 111.5 | | |
| 189 | T | 39.4 | Very low | 41.3 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | | | trans | 25.1 | 145 | 149.7 | 16.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 190 | E | 44 | Very low | 40.7 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | | | cis | -169.3 | 135.5 | 43 | -162.5 | 163.5 | -170.3 | 0 | 0 | 115.9 | | |
| 191 | N | 41.8 | Very low | 40.4 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | trans | 33.4 | 136.9 | 149.9 | -53.7 | -32.3 | 0 | 0 | 0 | 125.2 | | |
| 192 | G | 39.6 | Very low | 39.9 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | | | trans | 109.1 | 104.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 193 | N | 37.1 | Very low | 40 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | | | cis | 86.5 | 141 | 40.3 | -159.4 | 55.5 | 0 | 0 | 0 | 114.5 | | |
| 194 | E | 42.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | trans | 88.6 | 94.8 | 173.3 | -50.7 | -174.5 | -170.3 | 0 | 0 | 118.2 | | |
| 195 | N | 38.8 | Very low | 40.3 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | | 66.5 | 113.1 | 126.4 | -64.8 | 15.1 | 0 | 0 | 0 | 123 | | |
| 196 | N | 37.9 | Very low | 40.6 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 65% | 0.647 | 74% | 0.742 | S | S | * | * | | | | 69.2 | 137.5 | 102.9 | -148.5 | 53.5 | 0 | 0 | 0 | 120.8 | | |
| 197 | E | 39.2 | Very low | 40.7 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 60.9 | 141.3 | 175.6 | -72 | 128.2 | -167 | 0 | 0 | 115.2 | | |
| 198 | E | 42.7 | Very low | 40.7 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | cis | -152 | 169.1 | 8.7 | -136.3 | 163.5 | 176.9 | 0 | 0 | 110.5 | | |
| 199 | E | 39.4 | Very low | 41.1 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | 42.8 | 102.7 | 169.7 | -71.3 | -176.7 | 104.1 | 0 | 0 | 119.8 | | |
| 200 | K | 34.8 | Very low | 41.3 | Very low | 184 Ų | 184 | 149 Ų | 149 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | -153.4 | 91.1 | 154.6 | -129.3 | -167.2 | -179.3 | -121.5 | 0 | 112.8 | | |
| 201 | T | 38 | Very low | 41.4 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -80.4 | 128.8 | 147.2 | 40.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 202 | A | 41.1 | Very low | 41.6 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 60% | 0.595 | 75% | 0.751 | S | S | * | * | | | | 56.5 | 94.6 | 68.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 203 | Q | 43.7 | Very low | 41.9 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | cis | 54 | 52 | 34.3 | -60.6 | -161.5 | -94.3 | 0 | 0 | 112.7 | | |
| 204 | D | 35 | Very low | 42.1 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -67.4 | 159.9 | 140.5 | -73.5 | -33.6 | 0 | 0 | 0 | 109.8 | | |
| 205 | E | 50.2 | Low | 42.4 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -59.8 | 136.5 | -179.1 | -64 | 126.4 | 161.5 | 0 | 0 | 111.3 | | |
| 206 | E | 44.4 | Very low | 42.9 | Very low | 160 Ų | 160 | 153.9 Ų | 153.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | cis | 47.2 | 54.5 | 15.5 | -89 | -153.5 | 123 | 0 | 0 | 115.7 | K208 | E206-K208 PolarHBondContact O-N 3.03Å; E206-K208 VanDerWaalsContact O-N 3.13Å |
| 207 | V | 42.1 | Very low | 43.4 | Very low | 138 Ų | 138 | 155 Ų | 155 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | S | Bend | | 51.4 | 58.4 | 111.9 | -172.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 208 | K | 43.4 | Very low | 43.7 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -156.2 | 45.8 | 163.2 | -135.3 | -177.1 | 179.5 | 179.9 | 0 | 121.1 | E206 | E206-K208 PolarHBondContact O-N 3.03Å; E206-K208 VanDerWaalsContact O-N 3.13Å |
| 209 | E | 47.4 | Very low | 43.9 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -146.2 | 101 | 154.5 | -151.7 | 153.3 | -125.2 | 0 | 0 | 108.3 | A211 | E209-A211 HydrophobicContact CG-CB 4.11Š|
| 210 | Q | 45 | Very low | 43.8 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | cis | 63 | 46.3 | 4.3 | -162.6 | 170.2 | 81.5 | 0 | 0 | 115.3 | | |
| 211 | A | 46.2 | Very low | 44.3 | Very low | 57 Ų | 57 | 156.4 Ų | 156.4 | 47% | 0.471 | 77% | 0.772 | S | S | . | * | | | trans | -155.2 | 108.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E209 | E209-A211 HydrophobicContact CG-CB 4.11Š|
| 212 | D | 44 | Very low | 44.5 | Very low | 142 Ų | 142 | 154.3 Ų | 154.3 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | 12.7 | 137 | 135 | -35.3 | -34.9 | 0 | 0 | 0 | 117.9 | | |
| 213 | Q | 46 | Very low | 44.3 | Very low | 190 Ų | 190 | 159.5 Ų | 159.5 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | 84.3 | 116.8 | -173.8 | -50.1 | 144.7 | 109.2 | 0 | 0 | 112.6 | | |
| 214 | E | 41.3 | Very low | 44 | Very low | 152 Ų | 152 | 157.9 Ų | 157.9 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | S | Bend | cis | -135.1 | -7.6 | 35.1 | -170 | 159.3 | -133.2 | 0 | 0 | 116 | E216 K217 | E214-E216 PolarHBondContact O-N 3.43Å; E214-K217 PolarHBondContact O-N 3.2Å |
| 215 | E | 50.7 | Low | 44.4 | Very low | 206 Ų | 206 | 158.7 Ų | 158.7 | 96% | 0.963 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -64.2 | -7.4 | -178.3 | -72.5 | -175.2 | 115.2 | 0 | 0 | 115.1 | K217 | E215-K217 VanDerWaalsContact C-N 3.27Å; E215-K217 PolarHBondContact O-N 2.95Å |
| 216 | E | 48.6 | Very low | 43.9 | Very low | 186 Ų | 186 | 157.5 Ų | 157.5 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -93.3 | 43.9 | 169.2 | -158.1 | 174.6 | -145.2 | 0 | 0 | 111.3 | E214 | E214-E216 PolarHBondContact O-N 3.43Š|
| 217 | K | 47.6 | Very low | 43.4 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | trans | -142.5 | 132.8 | 166.4 | -84.3 | -169.6 | 178 | 179 | 0 | 111 | E214 E215 | E214-K217 PolarHBondContact O-N 3.2Å; E215-K217 VanDerWaalsContact C-N 3.27Å; E215-K217 PolarHBondContact O-N 2.95Å |
| 218 | E | 46.4 | Very low | 43.4 | Very low | 155 Ų | 155 | 159.3 Ų | 159.3 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | | | cis | -138.8 | 109.1 | 1.9 | -154.1 | 157.7 | -132.3 | 0 | 0 | 109.3 | E220 | E218-E220 PolarHBondContact O-N 3.41Š|
| 219 | E | 47.5 | Very low | 43.1 | Very low | 205 Ų | 205 | 160.7 Ų | 160.7 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | | | trans | -73.2 | 32 | -176 | -158.1 | -172.1 | 167.7 | 0 | 0 | 112.7 | | |
| 220 | E | 36.8 | Very low | 42.7 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -144.3 | 56.8 | -163.3 | -152.4 | -175.7 | 155 | 0 | 0 | 115.7 | E218 | E218-E220 PolarHBondContact O-N 3.41Š|
| 221 | K | 45.6 | Very low | 42.3 | Very low | 207 Ų | 207 | 156 Ų | 156 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | | | trans | 176.9 | 144 | 147.2 | -101.3 | 149.5 | -172 | 165.4 | 0 | 112.4 | | |
| 222 | A | 41.8 | Very low | 41.7 | Very low | 82 Ų | 82 | 162.1 Ų | 162.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | cis | -159.4 | 118.3 | -30.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | | |
| 223 | E | 36.1 | Very low | 41.3 | Very low | 182 Ų | 182 | 162.2 Ų | 162.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | | 61.1 | 115.9 | 94.3 | -156.2 | 178.6 | -158.2 | 0 | 0 | 114.5 | | |
| 224 | E | 37.2 | Very low | 40.8 | Very low | 120 Ų | 120 | 160.7 Ų | 160.7 | 56% | 0.561 | 78% | 0.782 | S | S | * | * | | | trans | 67.7 | 155.7 | -178.5 | -33 | -156 | 121.8 | 0 | 0 | 116.9 | K226 | E224-K226 IonicContact OE1-NZ 2.78Å; E224-K226 PolarHBondContact OE1-NZ 3.13Å |
| 225 | Q | 43.9 | Very low | 40.3 | Very low | 166 Ų | 166 | 156.7 Ų | 156.7 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | cis | -126.1 | 122.1 | -0.4 | -70.5 | 175.4 | 3.7 | 0 | 0 | 108.5 | | |
| 226 | K | 40.4 | Very low | 39.7 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | | 82.6 | 102 | 65.5 | -74.8 | 176.6 | 178.4 | 173.6 | 0 | 115.3 | E224 | E224-K226 IonicContact OE1-NZ 2.78Å; E224-K226 PolarHBondContact OE1-NZ 3.13Å |
| 227 | T | 33.3 | Very low | 39 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | | | trans | 56.5 | 123.6 | 139.7 | 56.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 228 | E | 42.3 | Very low | 38.7 | Very low | 200 Ų | 200 | 150.8 Ų | 150.8 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | | | | -135.6 | 152.2 | 121.7 | -169.1 | 157.2 | -148.6 | 0 | 0 | 110.4 | | |
| 229 | K | 37.5 | Very low | 38.3 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | -159.8 | 125 | -169.8 | -179.5 | -174.5 | 175.8 | -175.8 | 0 | 112.6 | | |
| 230 | G | 38.2 | Very low | 38.5 | Very low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | trans | 154.3 | 133.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 231 | E | 36.2 | Very low | 38.8 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | cis | 78.6 | 141.2 | 33.3 | -61.5 | -165.1 | 105.6 | 0 | 0 | 116.1 | | |
| 232 | E | 34.8 | Very low | 38.4 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | 68 | 151.3 | 176.5 | -66.3 | -168.8 | 159.7 | 0 | 0 | 119.3 | | |
| 233 | E | 35.5 | Very low | 38.3 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | | | cis | -165.7 | 148.1 | -41.4 | -127.7 | -143.4 | 138.6 | 0 | 0 | 112.2 | | |
| 234 | Q | 34.9 | Very low | 38.5 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 57.7 | 172.5 | 161 | -43.8 | -175.5 | 11.3 | 0 | 0 | 118.5 | | |
| 235 | A | 31.9 | Very low | 38.5 | Very low | 67 Ų | 67 | 149.8 Ų | 149.8 | 55% | 0.554 | 76% | 0.764 | S | S | * | * | | | cis | -156 | 151.1 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 236 | N | 36.6 | Very low | 38 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | | | trans | 60.9 | 161.5 | 152.9 | -56.9 | -39 | 0 | 0 | 0 | 119.3 | | |
| 237 | A | 35.3 | Very low | 37.8 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | cis | -164.6 | 169.9 | -25.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 238 | D | 41.1 | Very low | 38 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | cis | -166.8 | -164.7 | 37.4 | -154 | -24.1 | 0 | 0 | 0 | 111.4 | | |
| 239 | K | 36.7 | Very low | 38.2 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | trans | -102.8 | 168.3 | -158.5 | -94.8 | -174.5 | 170.1 | -171.3 | 0 | 120.6 | | |
| 240 | P | 52.7 | Low | 38 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | | | trans | -110.2 | -179.7 | 170.9 | 43 | -34.5 | 0 | 0 | 0 | 115 | | |
| 241 | E | 42.4 | Very low | 37.7 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -154 | 160.8 | 172.5 | -150.8 | 158.5 | -122.6 | 0 | 0 | 115.9 | | |
| 242 | E | 37.6 | Very low | 37.8 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | | | trans | -28.8 | 165.5 | -174.6 | -67.6 | -175.9 | -179.6 | 0 | 0 | 123.4 | K244 | E242-K244 VanDerWaalsContact CD-NZ 3.32Å; E242-K244 IonicContact OE1-NZ 2.85Å; E242-K244 IonicContact OE2-NZ 2.68Å; E242-K244 PolarHBondContact OE2-NZ 3.43Å |
| 243 | E | 39 | Very low | 38.2 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | | | cis | 122.3 | 147.8 | 2.4 | -166.6 | -172.8 | -108.3 | 0 | 0 | 114.8 | | |
| 244 | K | 40.6 | Very low | 38.4 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 61% | 0.609 | 75% | 0.753 | S | S | * | * | | | trans | 125.9 | 125.2 | 160.9 | -72.5 | 136.2 | -167.5 | 163.7 | 0 | 114.8 | E242 | E242-K244 VanDerWaalsContact CD-NZ 3.32Å; E242-K244 IonicContact OE1-NZ 2.85Å; E242-K244 IonicContact OE2-NZ 2.68Å; E242-K244 PolarHBondContact OE2-NZ 3.43Å |
| 245 | E | 38.2 | Very low | 38.4 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | | | cis | 77.5 | 148.4 | 32 | -143.8 | -127.9 | -129.7 | 0 | 0 | 112.4 | | |
| 246 | T | 32.8 | Very low | 38.6 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | cis | -109.6 | -146.6 | -2 | -17.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 247 | E | 36.5 | Very low | 38.9 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | | | cis | -150.2 | 178.5 | 12.6 | -153.1 | -167.4 | 144.4 | 0 | 0 | 110.2 | | |
| 248 | E | 36.4 | Very low | 39.1 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | trans | -128.2 | -143.9 | -167 | -149.9 | -156.3 | -152.5 | 0 | 0 | 115.6 | | |
| 249 | P | 48 | Very low | 39.1 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 54% | 0.539 | 73% | 0.734 | S | S | . | * | | | trans | -128 | 175.6 | -133.8 | 43 | -24.1 | 0 | 0 | 0 | 117.8 | | |
| 250 | K | 33.1 | Very low | 39.2 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | 173 | 140.1 | 133.2 | -95.1 | 149.3 | -169.1 | 153 | 0 | 118 | | |
| 251 | N | 32 | Very low | 38.5 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | | | trans | 78.7 | 149.9 | 143.7 | -65.4 | -1.7 | 0 | 0 | 0 | 124.6 | | |
| 252 | T | 37.7 | Very low | 38.4 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | trans | -88.7 | -175.2 | -173.9 | 40.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 253 | P | 44.1 | Very low | 38.4 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | cis | -148.9 | -149.6 | 25.2 | 43.6 | -18.4 | 0 | 0 | 0 | 117.9 | | |
| 254 | E | 38.4 | Very low | 38.5 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | trans | 81.2 | 115.3 | 167 | -73.7 | 165.9 | 170.7 | 0 | 0 | 118.3 | | |
| 255 | E | 35.5 | Very low | 38.7 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | | 76.8 | 147 | 93.1 | -74.4 | -147.1 | 129.6 | 0 | 0 | 114.7 | | |
| 256 | Q | 35.2 | Very low | 38.6 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | | | cis | -165.7 | 160.1 | 20.2 | -134 | 169.7 | 43.5 | 0 | 0 | 111.4 | | |
| 257 | M | 43.2 | Very low | 39.1 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | | | trans | 61.9 | 161 | 154.6 | -76.6 | -168.6 | -82.8 | 0 | 0 | 121.5 | | |
| 258 | E | 40.1 | Very low | 39.3 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | | | cis | -172.8 | 155 | -37.8 | -140.1 | -168.1 | 163.8 | 0 | 0 | 110.8 | | |
| 259 | K | 41.2 | Very low | 39.5 | Very low | 155 Ų | 155 | 142 Ų | 142 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | | | trans | 65.5 | 159.4 | 159.3 | -73.1 | 155.8 | -178.6 | 143.3 | 0 | 120.3 | | |
| 260 | E | 38.9 | Very low | 39.2 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | cis | 165.4 | 131.2 | -30.5 | 169.8 | 177 | -133.4 | 0 | 0 | 108.5 | | |
| 261 | N | 37.7 | Very low | 39.3 | Very low | 158 Ų | 158 | 144 Ų | 144 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | | | trans | 170.3 | 149.1 | 136.9 | -100.4 | -82.7 | 0 | 0 | 0 | 113.2 | | |
| 262 | Q | 40 | Very low | 39.7 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | | | trans | -103.6 | 171 | -178.9 | -62.6 | 165.6 | -97.2 | 0 | 0 | 112.9 | E264 | Q262-E264 PolarHBondContact NE2-OE1 3.03Š|
| 263 | N | 38.5 | Very low | 39.8 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | | | trans | -167.9 | 125.4 | 132 | -167.7 | 94.7 | 0 | 0 | 0 | 112.7 | | |
| 264 | E | 39.8 | Very low | 39.4 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 44% | 0.435 | 72% | 0.716 | S | S | . | * | | | trans | -96.5 | 164.7 | 176.1 | -51.5 | 106.9 | -167.7 | 0 | 0 | 113.9 | Q262 E1018 | Q262-E264 PolarHBondContact NE2-OE1 3.03Å; E264-E1018 HydrophobicContact CG-CG 4.4Å |
| 265 | E | 45.1 | Very low | 39.4 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | trans | -159.7 | 132.8 | 143.5 | -142.9 | -162.7 | 131.6 | 0 | 0 | 113.6 | K267 | E265-K267 IonicContact OE1-NZ 2.67Å; E265-K267 PolarHBondContact OE1-NZ 3.07Å |
| 266 | E | 37.1 | Very low | 39.5 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 57% | 0.57 | 73% | 0.725 | S | S | * | * | | | trans | -92.2 | 161.6 | -170.4 | 169.8 | -101.4 | 170 | 0 | 0 | 114.6 | | |
| 267 | K | 42.8 | Very low | 39.4 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 59% | 0.591 | 73% | 0.729 | S | S | * | * | | | trans | 177.6 | 114.3 | 142.6 | -95.9 | 149.1 | -146.5 | 76.8 | 0 | 118 | E265 | E265-K267 IonicContact OE1-NZ 2.67Å; E265-K267 PolarHBondContact OE1-NZ 3.07Å |
| 268 | Q | 40 | Very low | 39.3 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | trans | 62.1 | 134.8 | 134.1 | -61.4 | -168.5 | -23.8 | 0 | 0 | 124.6 | | |
| 269 | P | 41.2 | Very low | 39 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | trans | -106.2 | 167.9 | 171.6 | 40.8 | -35.1 | 0 | 0 | 0 | 116.1 | | |
| 270 | L | 42.2 | Very low | 38.7 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -157.6 | 159.5 | 165.7 | -84.4 | 109.3 | 0 | 0 | 0 | 108.3 | | |
| 271 | Q | 34.7 | Very low | 38.5 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | | | cis | -164.3 | 164.8 | -27.6 | 179.4 | 164.8 | 9.9 | 0 | 0 | 106.9 | | |
| 272 | E | 40.1 | Very low | 38.6 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | | | trans | -58.1 | 157.8 | 176.7 | -42.9 | 114.5 | 121.9 | 0 | 0 | 114.2 | | |
| 273 | E | 40 | Very low | 38.3 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | | | | 170.6 | 131.4 | 96.8 | -162.6 | 177.9 | 170.3 | 0 | 0 | 114.8 | | |
| 274 | N | 36.1 | Very low | 38.2 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 10.7 | 135.7 | 153.7 | -48.8 | -43.2 | 0 | 0 | 0 | 122.7 | | |
| 275 | A | 38 | Very low | 38.1 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | | | | -162 | 149 | 124.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 276 | N | 37.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -132.7 | 170.5 | -178.2 | -176.1 | 12.6 | 0 | 0 | 0 | 109.9 | | |
| 277 | V | 34.1 | Very low | 37.9 | Very low | 113 Ų | 113 | 148 Ų | 148 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | 81.2 | 104.1 | 163.4 | -166.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 278 | E | 40.7 | Very low | 37.6 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | | -177.3 | 144.4 | 117.8 | -98.1 | -177.7 | 157.3 | 0 | 0 | 108.1 | | |
| 279 | A | 33.4 | Very low | 37.5 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | | | cis | 161.4 | 106.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 280 | A | 35 | Very low | 37.3 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | 29.5 | 122.1 | 159 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 281 | Q | 34.7 | Very low | 37.2 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | trans | -166.4 | 145.8 | 130.7 | -113.6 | -176.1 | -78 | 0 | 0 | 112.1 | | |
| 282 | E | 40.1 | Very low | 37.1 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | 49.2 | 108.6 | 152.5 | -66.8 | 159.9 | 178.5 | 0 | 0 | 117.4 | | |
| 283 | E | 34.4 | Very low | 37.1 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | cis | 64.9 | 115.7 | 39.7 | -147.5 | -160.4 | 164.1 | 0 | 0 | 115.4 | | |
| 284 | K | 36 | Very low | 36.9 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | 60.1 | 97.2 | 160.6 | -75.9 | 163.6 | -175.5 | 151.5 | 0 | 120 | | |
| 285 | K | 37.5 | Very low | 36.9 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | | | trans | -178.5 | 149.1 | 135.3 | -101.9 | 156.5 | 178.9 | -74.7 | 0 | 109.1 | | |
| 286 | E | 44.2 | Very low | 37 | Very low | 140 Ų | 140 | 152.2 Ų | 152.2 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | | | cis | -151 | 127.3 | 9.2 | -152.1 | 141 | -132.6 | 0 | 0 | 109.4 | | |
| 287 | Q | 34.6 | Very low | 36.9 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | trans | -118.1 | 92.9 | 172.4 | -178.8 | -169.9 | 14.1 | 0 | 0 | 107.9 | | |
| 288 | E | 36.5 | Very low | 36.8 | Very low | 135 Ų | 135 | 154 Ų | 154 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | | | trans | -155.5 | 125.3 | 172.4 | -98.6 | -165 | 116 | 0 | 0 | 110.2 | | |
| 289 | K | 37.8 | Very low | 36.8 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 67% | 0.665 | 77% | 0.769 | S | S | * | * | | | trans | 77.2 | 149.6 | 137 | -63.5 | -176.9 | 159.2 | 145 | 0 | 119.8 | | |
| 290 | D | 37.2 | Very low | 37 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | cis | -153.3 | 165.8 | -11.2 | -106.1 | -25.8 | 0 | 0 | 0 | 108 | | |
| 291 | D | 38.2 | Very low | 37.3 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -64.8 | 140 | 170 | -61.2 | -77.2 | 0 | 0 | 0 | 112.7 | | |
| 292 | E | 33.7 | Very low | 37.4 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | -153.3 | 105.6 | 155.7 | -148.1 | 165.7 | -153.6 | 0 | 0 | 111.3 | | |
| 293 | E | 40.2 | Very low | 37.4 | Very low | 165 Ų | 165 | 152 Ų | 152 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | trans | 39.3 | 113.6 | 149.6 | -53.6 | -177.8 | 154.6 | 0 | 0 | 118.4 | A295 | E293-A295 PolarHBondContact O-N 3.28Š|
| 294 | Q | 35.5 | Very low | 37.8 | Very low | 205 Ų | 205 | 149.5 Ų | 149.5 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | | | | 38.2 | 58.1 | 66.6 | -71.7 | -132.6 | 32.2 | 0 | 0 | 115.7 | | |
| 295 | A | 35.2 | Very low | 38 | Very low | 82 Ų | 82 | 148.6 Ų | 148.6 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | -154.1 | 144.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | E293 | E293-A295 PolarHBondContact O-N 3.28Š|
| 296 | E | 41.2 | Very low | 37.9 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | cis | -125.3 | 139.9 | -5.6 | -59.8 | 164.6 | 110.9 | 0 | 0 | 105.8 | | |
| 297 | E | 34.4 | Very low | 37.7 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | | 56.3 | 142 | 72.7 | -137.5 | -147.5 | 139.2 | 0 | 0 | 116.3 | | |
| 298 | V | 32.9 | Very low | 37.9 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | trans | 62.4 | 119 | 167.7 | -162 | 0 | 0 | 0 | 0 | 118.4 | | |
| 299 | G | 40.2 | Very low | 38 | Very low | 74 Ų | 74 | 149.9 Ų | 149.9 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | -176.2 | 1.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 300 | K | 38.6 | Very low | 38.4 | Very low | 206 Ų | 206 | 150.6 Ų | 150.6 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | -59.5 | 152.5 | 168 | -80.9 | -177.8 | 179.7 | 176.3 | 0 | 109.8 | | |
| 301 | P | 41.3 | Very low | 38.8 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -152 | -171.1 | 39.8 | 41.5 | -19.3 | 0 | 0 | 0 | 118.2 | | |
| 302 | S | 36.6 | Very low | 38.8 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | 97.7 | 112.8 | 146.2 | -61.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 303 | N | 39.3 | Very low | 39.2 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | -46 | 172.9 | 145.1 | -124.5 | 13.1 | 0 | 0 | 0 | 112.5 | | |
| 304 | P | 43.6 | Very low | 39.1 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -151.6 | 173.1 | 35.9 | 47.3 | -27.3 | 0 | 0 | 0 | 120.1 | | |
| 305 | E | 39.5 | Very low | 39.7 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | 53.6 | 145 | 131.5 | -72 | 166.5 | 106.1 | 0 | 0 | 125.3 | | |
| 306 | E | 35.2 | Very low | 39.6 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 67.1 | 134.8 | 150.1 | -70.7 | -170.6 | 139.9 | 0 | 0 | 120.2 | | |
| 307 | R | 39.2 | Very low | 39.2 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | | | cis | 98.4 | 117.6 | 30.3 | 179.9 | -172.5 | -179.3 | 142.7 | 1 | 112.6 | E309 | R307-E309 HydrophobicContact CG-CG 3.93Å; R307-E309 IonicContact CZ-OE1 2.67Å; R307-E309 IonicContact NE-OE1 2.61Å; R307-E309 PolarHBondContact NE-OE1 3.35Å; R307-E309 IonicContact NH2-OE1 2.78Å; R307-E309 PolarHBondContact NH2-OE1 2.85Å |
| 308 | E | 40 | Very low | 39.6 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | | | trans | -165.7 | 99.8 | 155.9 | -102.6 | -179.2 | -173 | 0 | 0 | 104.3 | | |
| 309 | E | 39.1 | Very low | 39.7 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | | 90.7 | 161.2 | 61 | -70.3 | -150.6 | 151.1 | 0 | 0 | 115.3 | R307 | R307-E309 HydrophobicContact CG-CG 3.93Å; R307-E309 IonicContact CZ-OE1 2.67Å; R307-E309 IonicContact NE-OE1 2.61Å; R307-E309 PolarHBondContact NE-OE1 3.35Å; R307-E309 IonicContact NH2-OE1 2.78Å; R307-E309 PolarHBondContact NH2-OE1 2.85Å |
| 310 | E | 45.2 | Very low | 39.7 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -93.7 | -159 | -160.4 | -155 | 177.4 | 173 | 0 | 0 | 111.5 | | |
| 311 | P | 45.6 | Very low | 39.9 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | | -147.3 | 171.9 | 72.3 | 37.6 | -16.7 | 0 | 0 | 0 | 116.5 | | |
| 312 | E | 38.7 | Very low | 40 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | -66.1 | 170.9 | 176.3 | -48.2 | 172.5 | 86.1 | 0 | 0 | 114.6 | | |
| 313 | D | 42.2 | Very low | 40.3 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | | -171.3 | 113.6 | 115.3 | -133.3 | -13.2 | 0 | 0 | 0 | 113.5 | | |
| 314 | Q | 37.5 | Very low | 40.4 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | | | | 33.5 | 170.6 | 128.6 | -60.3 | -167 | 18.3 | 0 | 0 | 124 | | |
| 315 | P | 48.4 | Very low | 40.1 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | | | | -142.5 | -170.4 | -52.7 | 43.3 | -26.9 | 0 | 0 | 0 | 113.6 | | |
| 316 | A | 33.4 | Very low | 40.2 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 88% | 0.876 | 72% | 0.72 | S | S | * | * | | | trans | 68.7 | 151.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 317 | G | 31.7 | Very low | 40.3 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | cis | 171.5 | -159.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 318 | E | 43 | Very low | 40.6 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 93% | 0.925 | 71% | 0.714 | S | S | * | * | | | trans | 76.6 | 91.1 | 170.7 | -55.5 | -161.5 | 148.3 | 0 | 0 | 119.2 | | |
| 319 | T | 34.6 | Very low | 40.9 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | | | trans | -42 | 155.9 | 150.4 | 51.1 | 0 | 0 | 0 | 0 | 117 | | |
| 320 | E | 41.7 | Very low | 41 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | | | trans | 159 | 148.7 | 130.4 | -88.8 | -161.8 | 153.9 | 0 | 0 | 111 | | |
| 321 | K | 41.6 | Very low | 40.8 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 63% | 0.63 | 69% | 0.687 | S | S | * | * | | | cis | -176 | 159.6 | -21.6 | -121.3 | 178.3 | -159.2 | 157.1 | 0 | 109.7 | | |
| 322 | E | 44.2 | Very low | 40.6 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | trans | 66.7 | 150.4 | 153.1 | -67.2 | 166.3 | -173.2 | 0 | 0 | 117.4 | | |
| 323 | M | 42.9 | Very low | 40.7 | Very low | 156 Ų | 156 | 128 Ų | 128 | 77% | 0.768 | 70% | 0.699 | S | S | * | * | | | cis | -161.1 | 130.9 | 2.9 | -122.2 | 173 | -151.6 | 0 | 0 | 112.9 | | |
| 324 | N | 40.3 | Very low | 40.8 | Very low | 130 Ų | 130 | 131 Ų | 131 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | | | trans | 41.2 | 131.9 | 133 | -134 | 78.8 | 0 | 0 | 0 | 123.8 | | |
| 325 | A | 39 | Very low | 40.8 | Very low | 40 Ų | 40 | 133.1 Ų | 133.1 | 33% | 0.331 | 72% | 0.715 | S | S | . | * | | | | 142.3 | 127.3 | 105.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | D1096 | A325-D1096 PolarHBondContact N-OD2 2.97Å; A325-D1096 VanDerWaalsContact O-CB 3.26Å; A325-D1096 WeakPolarHBondContact O-CB 3.36Å |
| 326 | E | 40.7 | Very low | 40.6 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | trans | 45 | 136.4 | 144.2 | -64.7 | 153.6 | 117.3 | 0 | 0 | 120.2 | E1097 | E326-E1097 VanDerWaalsContact CA-N 3.33Å; E326-E1097 VanDerWaalsContact CA-O 3.31Å; E326-E1097 WeakPolarHBondContact CA-O 3.16Å; E326-E1097 WeakPolarHBondContact CG-O 3.4Å |
| 327 | E | 37.6 | Very low | 40.8 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | cis | -161.9 | 146.9 | 44.3 | -148.9 | 173.7 | 167.8 | 0 | 0 | 112.5 | D1098 | E327-D1098 CarbonylContact C-O 3.43Å; E327-D1098 VanDerWaalsContact CA-O 3.23Å; E327-D1098 WeakPolarHBondContact CA-O 3.48Å |
| 328 | K | 44.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 52% | 0.517 | 73% | 0.73 | S | S | . | * | | | trans | -98.4 | -157.5 | 167.9 | -81.8 | -171.8 | -152.1 | 158.8 | 0 | 109.9 | D1098 | K328-D1098 HydrophobicContact CD-CB 4.49Å; K328-D1098 WeakPolarHBondContact CD-OD1 3.28Å; K328-D1098 VanDerWaalsContact CE-CG 3.46Å; K328-D1098 WeakPolarHBondContact CE-OD1 3.4Å; K328-D1098 VanDerWaalsContact CE-OD2 3.29Å; K328-D1098 WeakPolarHBondContact CE-OD2 3.44Å; K328-D1098 VanDerWaalsContact N-C 3.34Å; K328-D1098 PolarHBondContact N-O 2.92Å; K328-D1098 IonicContact NZ-OD1 3.87Å; K328-D1098 PolarHBondContact NZ-OD1 3.44Å; K328-D1098 IonicContact NZ-OD2 3.12Å; K328-D1098 PolarHBondContact NZ-OD2 2.8Å |
| 329 | P | 47.2 | Very low | 40.9 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 47% | 0.474 | 72% | 0.723 | S | S | . | * | | | cis | -143.8 | -179 | -4.4 | 48.9 | -32 | 0 | 0 | 0 | 119.7 | A1099 T1100 | P329-A1099 WeakPolarHBondContact CG-O 3.44Å; P329-T1100 HydrophobicContact CB-CG2 3.95Å; P329-T1100 HydrophobicContact CG-CG2 3.88Å |
| 330 | A | 41.1 | Very low | 41.1 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 54% | 0.537 | 73% | 0.727 | S | S | . | * | | | trans | 90.7 | 145.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | T1100 | A330-T1100 HydrophobicContact CB-CG2 4.41Š|
| 331 | D | 40.4 | Very low | 41 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | trans | 63.4 | 145.3 | 154.8 | -53.7 | -22.1 | 0 | 0 | 0 | 119 | | |
| 332 | E | 40.9 | Very low | 40.7 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | cis | -152.5 | 161.7 | -0.9 | -128.7 | 176 | 159.4 | 0 | 0 | 109.4 | | |
| 333 | P | 41.8 | Very low | 40.9 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | | | trans | -105.2 | 127.8 | 178.3 | 35.2 | -24.9 | 0 | 0 | 0 | 113.4 | | |
| 334 | E | 43.5 | Very low | 40.8 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | | | trans | -105.7 | 146 | 171 | -69.6 | -166.2 | 128.4 | 0 | 0 | 112.4 | | |
| 335 | K | 38.3 | Very low | 41.1 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | trans | -108.7 | 123.8 | 175.6 | -60.3 | 176.2 | -179.3 | -179.5 | 0 | 108.8 | | |
| 336 | E | 43.5 | Very low | 41.4 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 95% | 0.949 | 75% | 0.754 | S | S | * | * | | | trans | -87.4 | 132 | 162.5 | -70.7 | -166.8 | 134 | 0 | 0 | 110 | | |
| 337 | N | 38.2 | Very low | 41.5 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | trans | -162.1 | 145.5 | 175.8 | -156.5 | -1.5 | 0 | 0 | 0 | 109.7 | | |
| 338 | A | 37.5 | Very low | 41.7 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | | | trans | 63.4 | 156.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 339 | S | 40 | Very low | 41.6 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | cis | -166 | 167.2 | -7 | 174.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 340 | E | 37.9 | Very low | 41.4 | Very low | 191 Ų | 191 | 149.2 Ų | 149.2 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | | 134.1 | 129 | 126.6 | -164.1 | 164.5 | -139.8 | 0 | 0 | 115.6 | | |
| 341 | G | 38.9 | Very low | 41.6 | Very low | 72 Ų | 72 | 152.5 Ų | 152.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | 173.6 | 80.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 342 | Q | 36.3 | Very low | 41.7 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -139.7 | 137.6 | 174.4 | -92.9 | -165.9 | -18.4 | 0 | 0 | 113.7 | | |
| 343 | E | 47.5 | Very low | 41.8 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -123 | 127.6 | 155.9 | -63.8 | -159.5 | 112.2 | 0 | 0 | 106.2 | | |
| 344 | K | 42.6 | Very low | 42.1 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | | 63.9 | 134.2 | 69.8 | -64.6 | 171.4 | -173.1 | 154.3 | 0 | 111.6 | | |
| 345 | K | 45.1 | Very low | 41.9 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 70% | 0.7 | 77% | 0.766 | S | S | * | * | | | cis | -168.9 | -174.1 | -4 | -140.2 | 149.6 | 154.9 | -107.8 | 0 | 107 | | |
| 346 | E | 45.1 | Very low | 42.1 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 57% | 0.565 | 77% | 0.769 | S | S | * | * | | | cis | -164.4 | 147.9 | 16.1 | -161.9 | 126.9 | -179.4 | 0 | 0 | 111.8 | | |
| 347 | E | 43.7 | Very low | 41.9 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 62.4 | 166.6 | 156.2 | -72.8 | 172.1 | 145.1 | 0 | 0 | 122.8 | | |
| 348 | N | 41.3 | Very low | 42 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | | | cis | -173.6 | 155.3 | -47 | -161.2 | 24.4 | 0 | 0 | 0 | 113.8 | | |
| 349 | D | 42.5 | Very low | 42.2 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | | | trans | 70.9 | 156.8 | 141 | -110.7 | -38.4 | 0 | 0 | 0 | 127.7 | | |
| 350 | E | 43.1 | Very low | 42.6 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | trans | 62.2 | 140.2 | 158 | -64.3 | -171.9 | 153.6 | 0 | 0 | 120.4 | | |
| 351 | E | 46 | Very low | 42.8 | Very low | 133 Ų | 133 | 146 Ų | 146 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | | | cis | -165.8 | 160.3 | -7 | -124.9 | -161.2 | 141.9 | 0 | 0 | 113.9 | | |
| 352 | Q | 43.2 | Very low | 43.5 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | 64.3 | 157.6 | 147.2 | -73.6 | -179.2 | 28.5 | 0 | 0 | 122.4 | | |
| 353 | Q | 42.9 | Very low | 43.7 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | cis | -172.5 | 173.4 | -36.9 | -120.7 | 176 | 42.2 | 0 | 0 | 111.4 | | |
| 354 | E | 46.6 | Very low | 43.4 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | | | trans | 71.3 | 136.9 | 170 | -47.5 | -163.1 | 140.2 | 0 | 0 | 118.8 | | |
| 355 | G | 40.4 | Very low | 43.3 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | cis | 166.8 | 129.4 | -15.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 356 | N | 41.3 | Very low | 43.5 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | | | trans | 69.5 | 157.5 | 140.8 | -95.1 | -25.3 | 0 | 0 | 0 | 125.2 | | |
| 357 | A | 39.5 | Very low | 43.4 | Very low | 87 Ų | 87 | 146.3 Ų | 146.3 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | trans | 84.2 | 136.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 358 | E | 42 | Very low | 43.1 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | | | cis | -159.6 | 163 | -11.4 | -157.9 | 167.1 | 168.8 | 0 | 0 | 111.1 | | |
| 359 | E | 40.3 | Very low | 43.1 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -71.3 | 177 | 177.6 | -106.7 | -168.7 | 135.3 | 0 | 0 | 114.2 | | |
| 360 | P | 47.9 | Very low | 43.3 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | cis | -150.1 | -176.6 | 33.3 | 44 | -22 | 0 | 0 | 0 | 119.8 | | |
| 361 | K | 43.1 | Very low | 43.6 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | | | trans | -88.7 | 156.2 | 176.5 | -159.2 | -175.8 | -177.1 | -171.7 | 0 | 113.9 | | |
| 362 | P | 54.2 | Low | 43.6 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | | | | -142 | 161.1 | 110.2 | 38.7 | -25.7 | 0 | 0 | 0 | 112.5 | | |
| 363 | E | 40.8 | Very low | 43.6 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | | | cis | 88.9 | 87.5 | 22.1 | -160.1 | 169.1 | -87.6 | 0 | 0 | 116.2 | | |
| 364 | E | 40.9 | Very low | 43.7 | Very low | 193 Ų | 193 | 135.2 Ų | 135.2 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | | 178.6 | 159.8 | 124 | -95.8 | -171.4 | 149.4 | 0 | 0 | 113.2 | | |
| 365 | Q | 39.2 | Very low | 43.7 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | | | trans | -94.9 | -166.3 | 179.3 | -81.3 | -171.2 | -81.5 | 0 | 0 | 111 | | |
| 366 | P | 50.8 | Low | 43.9 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 62% | 0.623 | 72% | 0.718 | S | S | * | * | | | cis | -148.6 | -171.5 | 10.2 | 47.5 | -26.9 | 0 | 0 | 0 | 118.7 | | |
| 367 | D | 41.2 | Very low | 44 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | | | trans | 57 | 151.9 | 143.2 | -65 | -18.8 | 0 | 0 | 0 | 122.3 | | |
| 368 | S | 39 | Very low | 44.3 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | | | cis | -176.2 | 172 | -16.2 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 369 | E | 40 | Very low | 44.2 | Very low | 184 Ų | 184 | 130.7 Ų | 130.7 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | | | trans | 70.9 | 124.3 | 161.1 | -62.3 | 170.3 | 145.9 | 0 | 0 | 117.6 | | |
| 370 | D | 47.5 | Very low | 44.4 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | | | cis | 106.8 | 169.4 | 25 | -150.2 | 45.2 | 0 | 0 | 0 | 112.2 | | |
| 371 | P | 48.9 | Very low | 44.2 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 38% | 0.383 | 69% | 0.693 | S | S | . | * | | | | -139.9 | -166.2 | -89.4 | 43.8 | -27.6 | 0 | 0 | 0 | 119.2 | K568 E569 | P371-K568 CarbonylContact O-C 3.58Å; P371-K568 WeakPolarHBondContact O-CA 3.48Å; P371-K568 PolarHBondContact O-N 3.49Å; P371-E569 PolarHBondContact O-N 3.1Å |
| 372 | N | 46.5 | Very low | 44.3 | Very low | 63 Ų | 63 | 131.1 Ų | 131.1 | 34% | 0.337 | 69% | 0.69 | S | S | . | * | | | trans | 93.9 | 166.5 | 133.1 | 100.6 | 159.9 | 0 | 0 | 0 | 126.7 | N567 K568 | N372-N567 VanDerWaalsContact ND2-CA 3.33Å; N372-N567 WeakPolarHBondContact ND2-CA 3.34Å; N372-N567 PolarHBondContact ND2-OD1 3.05Å; N372-K568 WeakPolarHBondContact ND2-CA 3.46Å; N372-K568 PolarHBondContact ND2-N 3.15Å; N372-K568 WeakPolarHBondContact O-CG 3.41Å |
| 373 | K | 42 | Very low | 43.7 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 42% | 0.422 | 68% | 0.682 | S | S | . | * | | | trans | 58 | 159.3 | 156.4 | -73.9 | 179.3 | -166.1 | -162.4 | 0 | 118.5 | E566 K568 | K373-E566 IonicContact NZ-OE1 2.84Å; K373-E566 PolarHBondContact NZ-OE1 3.02Å; K373-K568 VanDerWaalsContact O-CE 3.28Å; K373-K568 WeakPolarHBondContact O-CE 3.49Å; K373-K568 PolarHBondContact O-NZ 3.41Å |
| 374 | Q | 46.6 | Very low | 43.8 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 67% | 0.673 | 68% | 0.675 | S | S | * | * | | | cis | -138.1 | 139.8 | 24.2 | -84.2 | 170.5 | -53.2 | 0 | 0 | 109.7 | | |
| 375 | S | 45.8 | Very low | 43.9 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 63% | 0.629 | 66% | 0.662 | S | S | * | * | | | cis | 95 | 114.7 | 42 | 78.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 376 | V | 45.5 | Very low | 43.9 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 92% | 0.921 | 65% | 0.651 | S | S | * | * | | | trans | 166 | 161.2 | 148.2 | 146.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 377 | K | 42.9 | Very low | 43.4 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | | | | -174.4 | 158.6 | -59.4 | -152.1 | -162.1 | 160.7 | -148 | 0 | 109.7 | | |
| 378 | E | 45 | Very low | 43 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | | | trans | 74 | 141 | 164.8 | -69.4 | 157 | -169 | 0 | 0 | 117 | | |
| 379 | G | 40.9 | Very low | 42.9 | Very low | 64 Ų | 64 | 130.6 Ų | 130.6 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | | | cis | 171.7 | 169 | -9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 380 | E | 44.3 | Very low | 42.7 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 66% | 0.663 | S | S | * | * | | | trans | 64.4 | 146.3 | 146.7 | -58.4 | -176.1 | 149.3 | 0 | 0 | 119.8 | | |
| 381 | E | 42.3 | Very low | 42.3 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | | | cis | -160.4 | 162.4 | -7.5 | -122.6 | -171.4 | 165.6 | 0 | 0 | 113.6 | | |
| 382 | E | 45.2 | Very low | 41.7 | Very low | 137 Ų | 137 | 138 Ų | 138 | 64% | 0.64 | 69% | 0.688 | S | S | * | * | | | trans | 39.9 | 117.8 | 145 | -75.5 | -159 | 164.6 | 0 | 0 | 123 | | |
| 383 | E | 42.6 | Very low | 41.4 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 58% | 0.584 | 71% | 0.71 | S | S | * | * | | | | 83.1 | 159.3 | 87.3 | -73.2 | -172.1 | 159.1 | 0 | 0 | 115.7 | | |
| 384 | K | 43.4 | Very low | 41.3 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | | | cis | -166.6 | 147.8 | -3.1 | -119 | 170.1 | -170 | 141.2 | 0 | 108.9 | | |
| 385 | K | 42.3 | Very low | 40.9 | Very low | 147 Ų | 147 | 145 Ų | 145 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | | | trans | 63.6 | 168.3 | 142 | -69.5 | 172.1 | 174.2 | -69.6 | 0 | 117.8 | | |
| 386 | E | 39.9 | Very low | 40.3 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | | | cis | -156.6 | 155.5 | -13.2 | -118.4 | 158.3 | -176.4 | 0 | 0 | 108.9 | | |
| 387 | N | 38.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | | | trans | 66.3 | 129.5 | 157.9 | -68.9 | 37.5 | 0 | 0 | 0 | 118.1 | | |
| 388 | E | 33.9 | Very low | 40 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | | | | 71.1 | 107.1 | 53.5 | -175.7 | -164.4 | -129 | 0 | 0 | 112.7 | | |
| 389 | V | 36.2 | Very low | 40 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | | | trans | 177.2 | 139.4 | 138.4 | 143.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 390 | E | 36.7 | Very low | 39.8 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | | | trans | -77.4 | 154.9 | 171.7 | -55.7 | 153.8 | 101.8 | 0 | 0 | 112 | | |
| 391 | E | 38.6 | Very low | 39.5 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 94% | 0.944 | 72% | 0.716 | S | S | * | * | | | | -171.4 | 159.8 | 125.6 | -109.4 | -177.9 | -167 | 0 | 0 | 113.1 | | |
| 392 | E | 35.6 | Very low | 39.6 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | | | trans | -82.5 | 159.6 | -167 | -75.2 | 179.6 | 134.1 | 0 | 0 | 116.5 | | |
| 393 | P | 42 | Very low | 39.5 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | | | trans | -73.2 | 157.2 | -179.4 | 31.9 | -38.3 | 0 | 0 | 0 | 114.5 | | |
| 394 | K | 39.7 | Very low | 39.5 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | | | trans | -149.7 | 99.1 | 166.8 | -67.2 | -169.1 | 169.4 | 45.6 | 0 | 114.2 | | |
| 395 | E | 36.7 | Very low | 39.6 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | | | | 33.2 | 145.4 | 127.7 | -107.1 | -154.7 | 149.8 | 0 | 0 | 123.5 | | |
| 396 | T | 35 | Very low | 39.7 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | | | trans | 80.6 | 159.8 | 143.7 | 70.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 397 | P | 45.4 | Very low | 39.6 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 62% | 0.623 | 74% | 0.735 | S | S | * | * | | | cis | -147.1 | 164.3 | -46.2 | 40.8 | -24.8 | 0 | 0 | 0 | 116.8 | | |
| 398 | T | 35.8 | Very low | 39.7 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | | | trans | 62.1 | 171.2 | 146.5 | 56.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 399 | P | 45.5 | Very low | 40 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | | | cis | -139.2 | 178.9 | -41.3 | 37.5 | -21.1 | 0 | 0 | 0 | 115.3 | | |
| 400 | A | 35.7 | Very low | 40.1 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | | | trans | 76.8 | 163.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 401 | N | 38.9 | Very low | 40 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | | | cis | -158.1 | 162.9 | 12.8 | -150.2 | 16.3 | 0 | 0 | 0 | 114.8 | | |
| 402 | E | 44 | Very low | 39.9 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | | | trans | 72.2 | 127 | 143.6 | -87.3 | 172.2 | 135.3 | 0 | 0 | 125.3 | | |
| 403 | Q | 42.2 | Very low | 40.1 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | | | trans | 87.4 | 138.7 | 133.2 | -72.6 | 171.2 | 32.6 | 0 | 0 | 121.2 | | |
| 404 | N | 42.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 139 Ų | 139 | 60% | 0.599 | 71% | 0.707 | S | S | * | * | | | cis | -169.6 | 169.5 | -18 | -155.8 | 7.8 | 0 | 0 | 0 | 112.8 | | |
| 405 | E | 45.8 | Very low | 39.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 67% | 0.673 | 70% | 0.703 | S | S | * | * | | | trans | 63.1 | 145.1 | 149.7 | -89 | 146.9 | -163.8 | 0 | 0 | 119.5 | | |
| 406 | E | 44.4 | Very low | 39.7 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | | | cis | -153.9 | 125.4 | -1 | -148 | 161.5 | -161.9 | 0 | 0 | 106.7 | | |
| 407 | Q | 38.4 | Very low | 39.8 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | | | | 55.7 | 148.1 | 82.6 | -78.4 | -166.5 | 60.3 | 0 | 0 | 115.6 | | |
| 408 | K | 39.8 | Very low | 39.5 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | | | cis | -178.6 | -175.9 | -8.5 | 179.5 | -177.9 | 153.9 | -104.3 | 0 | 107.7 | | |
| 409 | E | 41.4 | Very low | 39.8 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | | | trans | 82.5 | 147.6 | 155.8 | -54.9 | -168 | 164.1 | 0 | 0 | 119.2 | | |
| 410 | E | 38.6 | Very low | 39.5 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 67% | 0.673 | 70% | 0.697 | S | S | * | * | | | cis | -155.3 | 157.8 | -20.8 | -119.9 | -175.3 | -179.8 | 0 | 0 | 114.2 | | |
| 411 | L | 34 | Very low | 39.8 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | | | trans | 5.5 | 149.6 | 147.5 | -68.5 | 169.6 | 0 | 0 | 0 | 124.1 | | |
| 412 | E | 36.1 | Very low | 40.1 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | | | trans | 58.9 | 125.9 | 144.2 | -69.7 | -174.4 | 138.5 | 0 | 0 | 120.9 | | |
| 413 | N | 39.3 | Very low | 40 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 70% | 0.702 | S | S | * | * | | | | -166.9 | 168.4 | 96.1 | -106.9 | -77.7 | 0 | 0 | 0 | 114.8 | | |
| 414 | K | 36.4 | Very low | 40 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | | | trans | -102.5 | 172.2 | 178.8 | -73 | 171.3 | 175.5 | 159.7 | 0 | 112.2 | | |
| 415 | E | 37.3 | Very low | 40.2 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | trans | 100 | 100.7 | 136.4 | -163.4 | 162 | -153.1 | 0 | 0 | 119.9 | | |
| 416 | K | 37.3 | Very low | 40.2 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | | | trans | 59.7 | 166.1 | 141.1 | -58.8 | 169.1 | -165 | 157.6 | 0 | 117.2 | | |
| 417 | T | 37.1 | Very low | 40.2 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | | | cis | -163.9 | 162.2 | 28.5 | -23.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 418 | D | 38 | Very low | 40.5 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | | | trans | 62.8 | 108.4 | 144 | -69.3 | -7.2 | 0 | 0 | 0 | 124 | | |
| 419 | E | 41.9 | Very low | 40.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | | | | 84.8 | 120.8 | 112.7 | -77.1 | -140.5 | 139.1 | 0 | 0 | 124.1 | | |
| 420 | T | 40.5 | Very low | 40.6 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 59% | 0.589 | 70% | 0.697 | S | S | * | * | | | | 83.3 | 153.3 | 129.1 | 68.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 421 | K | 42 | Very low | 40.5 | Very low | 151 Ų | 151 | 136 Ų | 136 | 66% | 0.657 | 70% | 0.697 | S | S | * | * | | | cis | -159.6 | 170.6 | 4.6 | -130.1 | 162.1 | -151.5 | 104.5 | 0 | 113.2 | | |
| 422 | D | 44.5 | Very low | 40.8 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | | | trans | 70 | 147.2 | 154.4 | -79 | -45.9 | 0 | 0 | 0 | 120.8 | | |
| 423 | S | 41.5 | Very low | 40.9 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | | | cis | -177.4 | 156.6 | -44.3 | 46.1 | 0 | 0 | 0 | 0 | 111 | | |
| 424 | G | 43.6 | Very low | 40.8 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | | | trans | 153.1 | 86.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 425 | K | 45.7 | Very low | 40.8 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 81% | 0.809 | 68% | 0.678 | S | S | * | * | | | | 72.2 | 134.5 | 118.6 | -146.6 | 165.2 | -176.3 | 173.5 | 0 | 119.7 | | |
| 426 | D | 47 | Very low | 40.7 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | | | cis | -159.4 | 159.3 | 1.3 | -118.9 | -0.1 | 0 | 0 | 0 | 112.3 | | |
| 427 | E | 44.6 | Very low | 40.8 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | | | trans | 40.3 | 147.3 | 136.4 | -59.5 | -157.7 | 136.7 | 0 | 0 | 123.7 | | |
| 428 | Q | 43 | Very low | 40.7 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 53% | 0.533 | 69% | 0.694 | S | S | . | * | | | cis | -168.3 | 144.7 | -2.9 | -118.2 | -169.6 | 50 | 0 | 0 | 111.9 | | |
| 429 | K | 40.5 | Very low | 40.7 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 70% | 0.703 | S | S | * | * | | | trans | 58 | 159.9 | 139.1 | -74.5 | -171.5 | -167.3 | 139.4 | 0 | 121.2 | | |
| 430 | S | 43.1 | Very low | 40.1 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | | | cis | -165 | 169.7 | -7.8 | -103.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 431 | Q | 37.3 | Very low | 40.3 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | cis | 163.6 | 159.8 | -20.9 | -168.2 | -174.4 | -19.1 | 0 | 0 | 106.3 | | |
| 432 | E | 39.7 | Very low | 39.8 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | 76.4 | 119.5 | 168.8 | -60.1 | -158.2 | 101.3 | 0 | 0 | 114.9 | | |
| 433 | K | 38.9 | Very low | 39.3 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | | | | 103 | 153.2 | 51.2 | -91.9 | -174 | 167 | -112 | 0 | 109.7 | | |
| 434 | E | 37.2 | Very low | 39.1 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 58% | 0.579 | 71% | 0.714 | S | S | * | * | | | cis | -171 | 154.8 | -5.2 | 168.5 | 162.3 | -106.8 | 0 | 0 | 109.8 | | |
| 435 | E | 37.3 | Very low | 39 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | | | trans | 23.8 | 122.5 | 160.6 | -67.5 | 174.4 | 133.4 | 0 | 0 | 122.4 | | |
| 436 | V | 34.5 | Very low | 38.5 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | | | | 40.4 | 123.4 | 114.4 | -178.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 437 | N | 39.6 | Very low | 38.1 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | | | | -164.5 | 151.6 | 123.1 | -104.5 | -72.3 | 0 | 0 | 0 | 111.9 | | |
| 438 | E | 34 | Very low | 37.8 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | | | trans | -80.8 | 149.2 | 170.1 | -53.5 | 168.5 | 109.9 | 0 | 0 | 110.4 | | |
| 439 | E | 37.5 | Very low | 37.5 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | | | trans | 173.1 | 132 | 134.7 | -101.5 | -169.8 | 152.4 | 0 | 0 | 112.9 | | |
| 440 | G | 30.5 | Very low | 37.7 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | | | trans | 77.6 | 114.1 | 130.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 441 | P | 44.2 | Very low | 37.4 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | | | trans | -92.1 | 157.4 | 170.2 | 37.2 | -34.1 | 0 | 0 | 0 | 112.9 | | |
| 442 | Q | 32.2 | Very low | 37.5 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | | | trans | -172.8 | 127.9 | 149 | -111.1 | -179.4 | -45.2 | 0 | 0 | 114 | | |
| 443 | Q | 33.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | | | trans | 60.2 | 151.9 | 139.2 | -76.5 | 169.1 | -98.3 | 0 | 0 | 119.5 | | |
| 444 | E | 37.8 | Very low | 37.5 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | | | cis | -162.5 | 156.6 | 18.3 | -133.1 | 161.8 | -160.5 | 0 | 0 | 114.1 | | |
| 445 | E | 40.9 | Very low | 37.6 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | | | trans | 68.7 | 110.3 | 152.8 | -51.2 | -148.4 | 119.8 | 0 | 0 | 125.6 | | |
| 446 | T | 35.5 | Very low | 37.7 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | | | | 69.8 | 153.1 | 125.1 | 62 | 0 | 0 | 0 | 0 | 123.1 | | |
| 447 | S | 38.3 | Very low | 37.8 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | | | cis | -170.3 | 171.9 | -12 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 448 | E | 38 | Very low | 37.6 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | | | trans | 58.8 | 120.2 | 156.7 | -67.2 | 151.2 | 96.3 | 0 | 0 | 120.2 | | |
| 449 | T | 35.9 | Very low | 37.8 | Very low | 75 Ų | 75 | 127 Ų | 127 | 46% | 0.46 | 70% | 0.696 | S | S | . | * | | | cis | 68.4 | 141.4 | 3.3 | 82.1 | 0 | 0 | 0 | 0 | 118.1 | E1034 N1035 | T449-E1034 WeakPolarHBondContact CA-OE1 3.42Å; T449-E1034 WeakPolarHBondContact CB-OE1 3.46Å; T449-E1034 HydrophobicContact CG2-CG 4.11Å; T449-E1034 WeakPolarHBondContact CG2-OE1 2.99Å; T449-N1035 PolarHBondContact OG1-ND2 2.73Å |
| 450 | P | 45.7 | Very low | 37.8 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | | | cis | -142.4 | -180 | 7.6 | 43.3 | -23.3 | 0 | 0 | 0 | 120.6 | E1034 | P450-E1034 VanDerWaalsContact CA-OE1 3.27Å; P450-E1034 WeakPolarHBondContact CA-OE1 3.37Å; P450-E1034 WeakPolarHBondContact CA-OE2 3.3Å; P450-E1034 HydrophobicContact CB-CB 3.86Å; P450-E1034 HydrophobicContact CB-CG 3.82Å; P450-E1034 WeakPolarHBondContact CB-OE2 3.18Å |
| 451 | A | 37.6 | Very low | 38.3 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 60% | 0.603 | 69% | 0.692 | S | S | * | * | | | trans | 112.3 | 104.9 | 131.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | E1034 | A451-E1034 PolarHBondContact N-OE2 3.15Š|
| 452 | V | 38.4 | Very low | 38.3 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | | | | 73.7 | 118 | 111.3 | 166.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 453 | E | 38.4 | Very low | 38.7 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 65% | 0.654 | 68% | 0.684 | S | S | * | * | | | trans | 74.9 | 140 | 139.1 | -83.1 | -165.8 | 160.3 | 0 | 0 | 127.5 | | |
| 454 | K | 40.5 | Very low | 38.9 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | | | trans | 69.9 | 151.1 | 136.6 | -77 | -171.6 | 172.2 | 95.8 | 0 | 121.2 | | |
| 455 | E | 39.9 | Very low | 38.9 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 60% | 0.598 | 69% | 0.688 | S | S | * | * | | | cis | -172.5 | 166 | -25.6 | -133.6 | -173.2 | 115 | 0 | 0 | 108.2 | | |
| 456 | Q | 37.8 | Very low | 38.9 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | | | trans | 60.8 | 160.4 | 154.9 | -70.7 | 173.2 | 23.5 | 0 | 0 | 118.9 | | |
| 457 | D | 36.5 | Very low | 39 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | | | cis | -158.8 | 166.5 | -33.6 | -165.9 | -5.7 | 0 | 0 | 0 | 106.8 | | |
| 458 | G | 36.8 | Very low | 39.4 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | | | trans | -168.2 | 40.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 459 | E | 38.7 | Very low | 39.4 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | | | trans | -50.5 | 149.3 | 173.1 | -35.6 | 161.1 | 106.8 | 0 | 0 | 114.5 | | |
| 460 | K | 36.3 | Very low | 39.7 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | | | | 178.6 | 109.4 | 116.8 | -98.7 | 154 | -173.4 | 67.5 | 0 | 116.3 | | |
| 461 | E | 40.5 | Very low | 39.4 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | | | | -1 | 174.8 | 113 | -95.3 | -147.7 | 135.9 | 0 | 0 | 120.9 | | |
| 462 | P | 45.4 | Very low | 39.5 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | | | cis | -137.4 | 173.9 | -12.4 | 30.3 | -9.9 | 0 | 0 | 0 | 115.5 | | |
| 463 | A | 39.3 | Very low | 39.6 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | | | trans | 170.6 | 111.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 464 | K | 39.4 | Very low | 39.5 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | | 76.6 | 115.2 | 78.2 | -92.6 | -169.7 | 170.4 | -74.5 | 0 | 116.5 | | |
| 465 | E | 37 | Very low | 39.6 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | | | | 48.2 | 121 | 129.8 | -63.2 | 159.1 | -177.5 | 0 | 0 | 120.6 | | |
| 466 | E | 41.6 | Very low | 39.9 | Very low | 201 Ų | 201 | 148.1 Ų | 148.1 | 94% | 0.939 | 76% | 0.758 | S | S | * | * | | | | -170.6 | 149.6 | 108.9 | -103.3 | 176.5 | 168.1 | 0 | 0 | 111.4 | | |
| 467 | E | 37.9 | Very low | 40.1 | Very low | 195 Ų | 195 | 148 Ų | 148 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | trans | -97.8 | 145.2 | 178.5 | -62.5 | 166.5 | 93.7 | 0 | 0 | 112.5 | | |
| 468 | S | 44.9 | Very low | 40.6 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | 174.7 | 111.9 | 152.9 | 54.9 | 0 | 0 | 0 | 0 | 107 | | |
| 469 | E | 39.4 | Very low | 41 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | | 64.8 | 119.4 | 52 | -141.8 | -142.3 | 172.5 | 0 | 0 | 114.5 | | |
| 470 | K | 41.3 | Very low | 41.3 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | trans | 64.5 | 142.7 | 166 | -73.6 | 166.7 | 172.9 | 140.4 | 0 | 117.6 | | |
| 471 | F | 39.9 | Very low | 42.2 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | cis | -162.1 | 164.4 | 5 | -114.7 | -39.4 | 0 | 0 | 0 | 110 | | |
| 472 | E | 38.6 | Very low | 42.6 | Very low | 144 Ų | 144 | 145 Ų | 145 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | | | trans | 45 | 125.9 | 146.1 | -55.4 | 163.3 | 162.5 | 0 | 0 | 119.1 | | |
| 473 | N | 41.3 | Very low | 43 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | | -160.1 | 162.7 | 54.2 | -82.1 | -96.7 | 0 | 0 | 0 | 112.7 | | |
| 474 | N | 36.9 | Very low | 43.1 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -44.3 | 150.7 | 175.7 | -44.6 | -3 | 0 | 0 | 0 | 116.4 | | |
| 475 | D | 42.7 | Very low | 43.6 | Very low | 170 Ų | 170 | 151 Ų | 151 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | | -152 | 145.1 | 112.9 | -97.1 | -28.5 | 0 | 0 | 0 | 108.2 | | |
| 476 | E | 44.6 | Very low | 44.2 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -90.4 | 153.3 | -177.3 | -60.7 | 162.8 | 119.4 | 0 | 0 | 112 | | |
| 477 | D | 42.4 | Very low | 44.5 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | | 161 | 144.8 | 125.7 | -162.6 | 3.7 | 0 | 0 | 0 | 111.6 | | |
| 478 | A | 48.1 | Very low | 45.2 | Very low | 79 Ų | 79 | 141 Ų | 141 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | | | trans | 59.1 | 140 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 479 | T | 45.6 | Very low | 46.1 | Very low | 134 Ų | 134 | 144 Ų | 144 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | cis | -158.2 | 141.8 | 1.1 | -0.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 480 | T | 43.9 | Very low | 47.3 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133.5 | 172.2 | -48.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 481 | P | 55.4 | Low | 48.6 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 139.1 | 169.6 | 32.1 | -32.8 | 0 | 0 | 0 | 111.2 | | |
| 482 | E | 48.5 | Very low | 50.7 | Low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 140.9 | 168.3 | -66.4 | 168.9 | 124.3 | 0 | 0 | 110.2 | Q484 | E482-Q484 PolarHBondContact O-N 3.41Š|
| 483 | P | 54.5 | Low | 53 | Low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 120 | 167.2 | 29.2 | -32.1 | 0 | 0 | 0 | 108.9 | E485 | P483-E485 PolarHBondContact O-N 3.35Š|
| 484 | Q | 41.3 | Very low | 55.3 | Low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 126.3 | 177.2 | -62.2 | -167.9 | -94.1 | 0 | 0 | 110.4 | E482 T486 | E482-Q484 PolarHBondContact O-N 3.41Å; Q484-T486 PolarHBondContact O-N 2.98Å |
| 485 | E | 50.1 | Low | 57.8 | Low | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | | | trans | -63.1 | 107 | 169.6 | -65.3 | -175.5 | 136.4 | 0 | 0 | 110.1 | P483 T487 | P483-E485 PolarHBondContact O-N 3.35Å; E485-T487 PolarHBondContact O-N 3.27Å |
| 486 | T | 48.7 | Very low | 60 | Low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | | | trans | -72.6 | 97.6 | 173.2 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | Q484 G488 | Q484-T486 PolarHBondContact O-N 2.98Å; T486-G488 PolarHBondContact O-N 3.08Å |
| 487 | T | 48.5 | Very low | 62.3 | Low | 145 Ų | 145 | 128.5 Ų | 128.5 | 89% | 0.89 | 72% | 0.717 | S | S | * | * | | | trans | -71.4 | 75.7 | 179.5 | 2.9 | 0 | 0 | 0 | 0 | 110.7 | E485 | E485-T487 PolarHBondContact O-N 3.27Š|
| 488 | G | 52.5 | Low | 64.5 | Low | 53 Ų | 53 | 127.5 Ų | 127.5 | 55% | 0.546 | 70% | 0.702 | S | S | . | * | | | trans | -87.5 | 114.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | T486 E490 | T486-G488 PolarHBondContact O-N 3.08Å; G488-E490 PolarHBondContact O-N 3.3Å; G488-E490 VanDerWaalsContact O-N 3.07Å |
| 489 | E | 63.6 | Low | 66.6 | Low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -3.2 | -174.7 | -151.9 | -179.2 | 126.9 | 0 | 0 | 114.8 | | |
| 490 | E | 64.3 | Low | 68.9 | Low | 143 Ų | 143 | 129.7 Ų | 129.7 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -22.6 | -175.7 | -60 | -159.6 | 106.6 | 0 | 0 | 114.5 | G488 P492 K493 | G488-E490 PolarHBondContact O-N 3.3Å; G488-E490 VanDerWaalsContact O-N 3.07Å; E490-P492 VanDerWaalsContact C-CD 3.42Å; E490-K493 WeakPolarHBondContact O-CB 3.46Å; E490-K493 PolarHBondContact O-N 3.07Å |
| 491 | A | 69.1 | Low | 71.3 | Confident | 66 Ų | 66 | 130.6 Ų | 130.6 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -46.1 | -44.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | K493 E494 L495 | A491-K493 VanDerWaalsContact C-N 3.26Å; A491-K493 PolarHBondContact O-N 3.47Å; A491-E494 PolarHBondContact O-N 3Å; A491-L495 PolarHBondContact O-N 3.08Å; A491-L495 VanDerWaalsContact O-N 3.15Å |
| 492 | P | 84.6 | Confident | 73.1 | Confident | 76 Ų | 76 | 129.3 Ų | 129.3 | 49% | 0.494 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.2 | -25.2 | 179.9 | 24.5 | -35 | 0 | 0 | 0 | 113.9 | E490 L496 | E490-P492 VanDerWaalsContact C-CD 3.42Å; P492-L496 WeakPolarHBondContact O-CB 3.22Å; P492-L496 VanDerWaalsContact O-CG 3.28Å; P492-L496 WeakPolarHBondContact O-CG 3.31Å; P492-L496 PolarHBondContact O-N 3.09Å; P492-L496 VanDerWaalsContact O-N 3.07Å |
| 493 | K | 87.2 | Confident | 75.1 | Confident | 132 Ų | 132 | 126.9 Ų | 126.9 | 57% | 0.574 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.6 | -42.4 | 179.5 | -65.9 | 173.1 | -174 | 161.1 | 0 | 111.5 | E490 A491 L496 L497 | E490-K493 WeakPolarHBondContact O-CB 3.46Å; E490-K493 PolarHBondContact O-N 3.07Å; A491-K493 VanDerWaalsContact C-N 3.26Å; A491-K493 PolarHBondContact O-N 3.47Å; K493-L496 PolarHBondContact O-N 3.4Å; K493-L497 WeakPolarHBondContact O-CG 3.38Å; K493-L497 PolarHBondContact O-N 3.3Å |
| 494 | E | 88.7 | Confident | 77 | Confident | 149 Ų | 149 | 127.3 Ų | 127.3 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.7 | -40.9 | 175.9 | -63.8 | -149.5 | 127.9 | 0 | 0 | 111.5 | A491 L496 L497 Y498 | A491-E494 PolarHBondContact O-N 3Å; E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 PolarHBondContact O-N 3.3Å; E494-L497 PolarHBondContact O-N 3.39Å; E494-L497 VanDerWaalsContact O-N 3.17Å; E494-Y498 WeakPolarHBondContact O-CB 3.41Å; E494-Y498 PolarHBondContact O-N 3.01Å |
| 495 | L | 88.7 | Confident | 79.6 | Confident | 103 Ų | 103 | 122.4 Ų | 122.4 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.1 | -38.7 | 176 | -171.9 | 63.9 | 0 | 0 | 0 | 112.4 | A491 Y498 K499 | A491-L495 PolarHBondContact O-N 3.08Å; A491-L495 VanDerWaalsContact O-N 3.15Å; L495-Y498 PolarHBondContact O-N 3.29Å; L495-K499 PolarHBondContact O-N 3.02Å |
| 496 | L | 90.4 | Very high | 81.8 | Confident | 122 Ų | 122 | 120.9 Ų | 120.9 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.9 | -39.2 | 173.1 | -77.4 | 169.3 | 0 | 0 | 0 | 112.5 | P492 K493 E494 Y498 K500 | P492-L496 WeakPolarHBondContact O-CB 3.22Å; P492-L496 VanDerWaalsContact O-CG 3.28Å; P492-L496 WeakPolarHBondContact O-CG 3.31Å; P492-L496 PolarHBondContact O-N 3.09Å; P492-L496 VanDerWaalsContact O-N 3.07Å; K493-L496 PolarHBondContact O-N 3.4Å; E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 PolarHBondContact O-N 3.3Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; L496-K500 WeakPolarHBondContact O-CB 3.35Å; L496-K500 PolarHBondContact O-N 2.89Å |
| 497 | L | 91.4 | Very high | 84 | Confident | 109 Ų | 109 | 124 Ų | 124 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.3 | -35.8 | 173.9 | -76.1 | 169.7 | 0 | 0 | 0 | 112.2 | K493 E494 K501 | K493-L497 WeakPolarHBondContact O-CG 3.38Å; K493-L497 PolarHBondContact O-N 3.3Å; E494-L497 PolarHBondContact O-N 3.39Å; E494-L497 VanDerWaalsContact O-N 3.17Å; L497-K501 WeakPolarHBondContact O-CG 3.46Å; L497-K501 PolarHBondContact O-N 2.87Å; L497-K501 VanDerWaalsContact O-N 3.07Å |
| 498 | Y | 90.2 | Very high | 86.3 | Confident | 139 Ų | 139 | 124.3 Ų | 124.3 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66 | -56 | 175.4 | -174.3 | -97.3 | 0 | 0 | 0 | 111 | E494 L495 L496 K500 K501 E502 | E494-Y498 WeakPolarHBondContact O-CB 3.41Å; E494-Y498 PolarHBondContact O-N 3.01Å; L495-Y498 PolarHBondContact O-N 3.29Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; Y498-K500 PolarHBondContact O-N 3.35Å; Y498-K500 VanDerWaalsContact O-N 3.17Å; Y498-K501 WeakPolarHBondContact O-CA 3.43Å; Y498-K501 WeakPolarHBondContact O-CB 3.31Å; Y498-K501 PolarHBondContact O-N 3.41Å; Y498-E502 HydrophobicContact CD1-CG 4.23Å; Y498-E502 WeakPolarHBondContact CD1-OE2 3.5Å; Y498-E502 HydrophobicContact CE1-CG 3.89Å; Y498-E502 WeakPolarHBondContact CE1-OE1 3.41Å; Y498-E502 VanDerWaalsContact CE1-OE2 3.31Å; Y498-E502 WeakPolarHBondContact CE1-OE2 3.44Å; Y498-E502 PolarHBondContact O-N 2.92Å; Y498-E502 PolarHBondContact OH-OE1 3Å |
| 499 | K | 92.1 | Very high | 88.3 | Confident | 116 Ų | 116 | 129.1 Ų | 129.1 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.3 | -36.6 | 174.2 | -74.5 | -170.4 | 173.6 | -170 | 0 | 112.6 | L495 K501 E502 M503 | L495-K499 PolarHBondContact O-N 3.02Å; K499-K501 VanDerWaalsContact C-N 3.33Å; K499-K501 PolarHBondContact O-N 2.87Å; K499-E502 PolarHBondContact O-N 2.91Å; K499-M503 WeakPolarHBondContact O-CB 3.5Å; K499-M503 WeakPolarHBondContact O-CG 3.48Å; K499-M503 PolarHBondContact O-N 3.16Å |
| 500 | K | 93.7 | Very high | 89.9 | Confident | 143 Ų | 143 | 127.4 Ų | 127.4 | 62% | 0.622 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.4 | -20.3 | 176.5 | -168.9 | 167.5 | -174.6 | 169.9 | 0 | 113.9 | L496 Y498 K504 | L496-K500 WeakPolarHBondContact O-CB 3.35Å; L496-K500 PolarHBondContact O-N 2.89Å; Y498-K500 PolarHBondContact O-N 3.35Å; Y498-K500 VanDerWaalsContact O-N 3.17Å; K500-K504 WeakPolarHBondContact O-CG 3.4Å |
| 501 | K | 93.8 | Very high | 91.5 | Very high | 152 Ų | 152 | 123.4 Ų | 123.4 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -79.8 | -45.6 | 167 | -74.1 | 172.3 | 179 | 177.7 | 0 | 110.8 | L497 Y498 K499 K504 S505 | L497-K501 WeakPolarHBondContact O-CG 3.46Å; L497-K501 PolarHBondContact O-N 2.87Å; L497-K501 VanDerWaalsContact O-N 3.07Å; Y498-K501 WeakPolarHBondContact O-CA 3.43Å; Y498-K501 WeakPolarHBondContact O-CB 3.31Å; Y498-K501 PolarHBondContact O-N 3.41Å; K499-K501 VanDerWaalsContact C-N 3.33Å; K499-K501 PolarHBondContact O-N 2.87Å; K501-K504 WeakPolarHBondContact O-CB 3.5Å; K501-K504 PolarHBondContact O-N 3.17Å; K501-K504 VanDerWaalsContact O-N 3.14Å; K501-S505 PolarHBondContact O-N 3.11Å |
| 502 | E | 94.1 | Very high | 92.8 | Very high | 88 Ų | 88 | 125.2 Ų | 125.2 | 41% | 0.411 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.1 | -49.2 | 177.8 | -67.5 | -177.9 | 122.9 | 0 | 0 | 112.2 | Y498 K499 K504 S505 Y506 | Y498-E502 HydrophobicContact CD1-CG 4.23Å; Y498-E502 WeakPolarHBondContact CD1-OE2 3.5Å; Y498-E502 HydrophobicContact CE1-CG 3.89Å; Y498-E502 WeakPolarHBondContact CE1-OE1 3.41Å; Y498-E502 VanDerWaalsContact CE1-OE2 3.31Å; Y498-E502 WeakPolarHBondContact CE1-OE2 3.44Å; Y498-E502 PolarHBondContact O-N 2.92Å; Y498-E502 PolarHBondContact OH-OE1 3Å; K499-E502 PolarHBondContact O-N 2.91Å; E502-K504 PolarHBondContact O-N 3.38Å; E502-K504 VanDerWaalsContact O-N 3.16Å; E502-S505 WeakPolarHBondContact O-CB 3.39Å; E502-S505 PolarHBondContact O-N 2.96Å; E502-Y506 PolarHBondContact O-N 3.32Å |
| 503 | M | 90.2 | Very high | 93.4 | Very high | 130 Ų | 130 | 128 Ų | 128 | 64% | 0.64 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.3 | -28.5 | 176.3 | -75.3 | -174.4 | 173.3 | 0 | 0 | 113.4 | K499 R507 | K499-M503 WeakPolarHBondContact O-CB 3.5Å; K499-M503 WeakPolarHBondContact O-CG 3.48Å; K499-M503 PolarHBondContact O-N 3.16Å; M503-R507 WeakPolarHBondContact O-CG 3.45Å; M503-R507 PolarHBondContact O-N 3.49Å |
| 504 | K | 95 | Very high | 93.9 | Very high | 132 Ų | 132 | 127 Ų | 127 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.7 | -45.5 | 172.1 | -76.9 | -177.1 | 173.6 | -166.3 | 0 | 111.4 | K500 K501 E502 Y506 R507 Y508 | K500-K504 WeakPolarHBondContact O-CG 3.4Å; K501-K504 WeakPolarHBondContact O-CB 3.5Å; K501-K504 PolarHBondContact O-N 3.17Å; K501-K504 VanDerWaalsContact O-N 3.14Å; E502-K504 PolarHBondContact O-N 3.38Å; E502-K504 VanDerWaalsContact O-N 3.16Å; K504-Y506 VanDerWaalsContact C-N 3.35Å; K504-Y506 PolarHBondContact O-N 3.43Å; K504-R507 PolarHBondContact O-N 3.17Å; K504-Y508 VanDerWaalsContact O-CD2 3.26Å; K504-Y508 WeakPolarHBondContact O-CD2 3.4Å; K504-Y508 PolarHBondContact O-N 3.02Å; K504-Y508 VanDerWaalsContact O-N 3.07Å |
| 505 | S | 95 | Very high | 94.3 | Very high | 80 Ų | 80 | 123.2 Ų | 123.2 | 56% | 0.559 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.9 | -47.9 | 176.4 | -169 | 0 | 0 | 0 | 0 | 111.3 | K501 E502 R507 Y508 W509 | K501-S505 PolarHBondContact O-N 3.11Å; E502-S505 WeakPolarHBondContact O-CB 3.39Å; E502-S505 PolarHBondContact O-N 2.96Å; S505-R507 PolarHBondContact O-N 2.89Å; S505-Y508 PolarHBondContact O-N 3.05Å; S505-Y508 VanDerWaalsContact O-N 3.15Å; S505-W509 PolarHBondContact O-N 3Å |
| 506 | Y | 95.6 | Very high | 94.7 | Very high | 149 Ų | 149 | 121.2 Ų | 121.2 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 178.1 | -175.2 | -114.2 | 0 | 0 | 0 | 113 | E502 K504 W509 K510 | E502-Y506 PolarHBondContact O-N 3.32Å; K504-Y506 VanDerWaalsContact C-N 3.35Å; K504-Y506 PolarHBondContact O-N 3.43Å; Y506-W509 HydrophobicContact CE2-CE3 4.44Å; Y506-W509 PolarHBondContact O-N 2.86Å; Y506-K510 PolarHBondContact O-N 3.07Å |
| 507 | R | 95.5 | Very high | 95 | Very high | 201 Ų | 201 | 119.8 Ų | 119.8 | 76% | 0.758 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 174.2 | -76 | 179.7 | -177.1 | -152.3 | 0.1 | 112.6 | M503 K504 S505 A511 | M503-R507 WeakPolarHBondContact O-CG 3.45Å; M503-R507 PolarHBondContact O-N 3.49Å; K504-R507 PolarHBondContact O-N 3.17Å; S505-R507 PolarHBondContact O-N 2.89Å; R507-A511 WeakPolarHBondContact O-CB 3.47Å; R507-A511 PolarHBondContact O-N 3.49Å; R507-A511 VanDerWaalsContact O-N 3.11Å |
| 508 | Y | 95.9 | Very high | 95.3 | Very high | 151 Ų | 151 | 119.6 Ų | 119.6 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 173.3 | -79.7 | -65.8 | 0 | 0 | 0 | 112.1 | K504 S505 A511 F512 | K504-Y508 VanDerWaalsContact O-CD2 3.26Å; K504-Y508 WeakPolarHBondContact O-CD2 3.4Å; K504-Y508 PolarHBondContact O-N 3.02Å; K504-Y508 VanDerWaalsContact O-N 3.07Å; S505-Y508 PolarHBondContact O-N 3.05Å; S505-Y508 VanDerWaalsContact O-N 3.15Å; Y508-A511 PolarHBondContact O-N 3.1Å; Y508-F512 WeakPolarHBondContact O-CB 3.3Å; Y508-F512 PolarHBondContact O-N 3Å |
| 509 | W | 96.3 | Very high | 95.5 | Very high | 155 Ų | 155 | 116.3 Ų | 116.3 | 59% | 0.587 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -45.9 | 178.8 | -171.1 | 81.2 | 0 | 0 | 0 | 112.4 | S505 Y506 A511 F512 Y513 | S505-W509 PolarHBondContact O-N 3Å; Y506-W509 HydrophobicContact CE2-CE3 4.44Å; Y506-W509 PolarHBondContact O-N 2.86Å; W509-A511 VanDerWaalsContact C-N 3.34Å; W509-A511 PolarHBondContact O-N 3.04Å; W509-F512 PolarHBondContact O-N 3.47Å; W509-Y513 PolarHBondContact O-N 3.32Å |
| 510 | K | 97 | Very high | 95.6 | Very high | 139 Ų | 139 | 115.8 Ų | 115.8 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 175.2 | -174.5 | 163.6 | -178 | 165.9 | 0 | 112.2 | Y506 L514 | Y506-K510 PolarHBondContact O-N 3.07Å; K510-L514 WeakPolarHBondContact O-CB 3.47Å; K510-L514 PolarHBondContact O-N 2.98Å; K510-L514 VanDerWaalsContact O-N 3.1Å |
| 511 | A | 96.9 | Very high | 95.7 | Very high | 59 Ų | 59 | 110.5 Ų | 110.5 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R507 Y508 W509 F515 | R507-A511 WeakPolarHBondContact O-CB 3.47Å; R507-A511 PolarHBondContact O-N 3.49Å; R507-A511 VanDerWaalsContact O-N 3.11Å; Y508-A511 PolarHBondContact O-N 3.1Å; W509-A511 VanDerWaalsContact C-N 3.34Å; W509-A511 PolarHBondContact O-N 3.04Å; A511-F515 PolarHBondContact O-N 3.14Å; A511-F515 VanDerWaalsContact O-N 3.12Å |
| 512 | F | 96.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 46% | 0.456 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 174.6 | 178.8 | -98.6 | 0 | 0 | 0 | 111.7 | Y508 W509 L514 F515 I516 | Y508-F512 WeakPolarHBondContact O-CB 3.3Å; Y508-F512 PolarHBondContact O-N 3Å; W509-F512 PolarHBondContact O-N 3.47Å; F512-L514 PolarHBondContact O-N 3.38Å; F512-F515 WeakPolarHBondContact O-CB 3.48Å; F512-F515 PolarHBondContact O-N 3.35Å; F512-I516 HydrophobicContact CD1-CG1 4.36Å; F512-I516 HydrophobicContact CE1-CD1 4.46Å; F512-I516 HydrophobicContact CE1-CG1 3.95Å; F512-I516 HydrophobicContact CE2-CD1 4.39Å; F512-I516 HydrophobicContact CZ-CD1 4.04Å; F512-I516 HydrophobicContact CZ-CG1 4.03Å; F512-I516 WeakPolarHBondContact O-CG1 3.46Å; F512-I516 PolarHBondContact O-N 3.38Å |
| 513 | Y | 97.5 | Very high | 95.3 | Very high | 134 Ų | 134 | 107.7 Ų | 107.7 | 53% | 0.525 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 176.8 | -168.5 | -93.7 | 0 | 0 | 0 | 111.8 | W509 F515 I516 M517 | W509-Y513 PolarHBondContact O-N 3.32Å; Y513-F515 VanDerWaalsContact C-N 3.29Å; Y513-F515 PolarHBondContact O-N 3.12Å; Y513-I516 PolarHBondContact O-N 3.04Å; Y513-I516 VanDerWaalsContact O-N 3.14Å; Y513-M517 HydrophobicContact CD1-CG 4.02Å; Y513-M517 HydrophobicContact CE1-CG 3.77Å; Y513-M517 HydrophobicContact CE1-SD 4.08Å; Y513-M517 WeakPolarHBondContact O-CG 3.41Å; Y513-M517 PolarHBondContact O-N 3.03Å |
| 514 | L | 97.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 107.7 Ų | 107.7 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.7 | -39.1 | 176.2 | -167.9 | 72.2 | 0 | 0 | 0 | 112.2 | K510 F512 M517 I518 | K510-L514 WeakPolarHBondContact O-CB 3.47Å; K510-L514 PolarHBondContact O-N 2.98Å; K510-L514 VanDerWaalsContact O-N 3.1Å; F512-L514 PolarHBondContact O-N 3.38Å; L514-M517 PolarHBondContact O-N 3.2Å; L514-I518 HydrophobicContact CG-CD1 4.2Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 2.83Å |
| 515 | F | 97.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 109.3 Ų | 109.3 | 31% | 0.307 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 175.5 | 177.4 | -105.8 | 0 | 0 | 0 | 112.6 | A511 F512 Y513 L519 L1343 | A511-F515 PolarHBondContact O-N 3.14Å; A511-F515 VanDerWaalsContact O-N 3.12Å; F512-F515 WeakPolarHBondContact O-CB 3.48Å; F512-F515 PolarHBondContact O-N 3.35Å; Y513-F515 VanDerWaalsContact C-N 3.29Å; Y513-F515 PolarHBondContact O-N 3.12Å; F515-L519 HydrophobicContact CD1-CD1 4.04Å; F515-L519 HydrophobicContact CE1-CD1 3.51Å; F515-L519 HydrophobicContact CE1-CG 4.34Å; F515-L519 HydrophobicContact CE2-CD1 4.44Å; F515-L519 HydrophobicContact CE2-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.75Å; F515-L519 HydrophobicContact CZ-CG 4.25Å; F515-L519 WeakPolarHBondContact O-CG 3.42Å; F515-L519 PolarHBondContact O-N 3.34Å; F515-L1343 HydrophobicContact CE2-CD2 4.13Å; F515-L1343 HydrophobicContact CZ-CD2 4.37Å |
| 516 | I | 97.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 113.8 Ų | 113.8 | 31% | 0.313 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 174 | -62.9 | -60.3 | 0 | 0 | 0 | 111.2 | F512 Y513 I518 L519 M520 | F512-I516 HydrophobicContact CD1-CG1 4.36Å; F512-I516 HydrophobicContact CE1-CD1 4.46Å; F512-I516 HydrophobicContact CE1-CG1 3.95Å; F512-I516 HydrophobicContact CE2-CD1 4.39Å; F512-I516 HydrophobicContact CZ-CD1 4.04Å; F512-I516 HydrophobicContact CZ-CG1 4.03Å; F512-I516 WeakPolarHBondContact O-CG1 3.46Å; F512-I516 PolarHBondContact O-N 3.38Å; Y513-I516 PolarHBondContact O-N 3.04Å; Y513-I516 VanDerWaalsContact O-N 3.14Å; I516-I518 PolarHBondContact O-N 3.04Å; I516-L519 PolarHBondContact O-N 3.48Å; I516-L519 VanDerWaalsContact O-N 3.13Å; I516-M520 HydrophobicContact CG2-CE 4.44Å; I516-M520 HydrophobicContact CG2-CG 4.46Å; I516-M520 HydrophobicContact CG2-SD 4.47Å; I516-M520 WeakPolarHBondContact O-CG 3.45Å; I516-M520 PolarHBondContact O-N 2.9Å |
| 517 | M | 96.6 | Very high | 92 | Very high | 91 Ų | 91 | 115.2 Ų | 115.2 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.2 | -45.7 | 176.1 | -68.3 | -64.6 | -71.5 | 0 | 0 | 112 | Y513 L514 L519 M520 G521 | Y513-M517 HydrophobicContact CD1-CG 4.02Å; Y513-M517 HydrophobicContact CE1-CG 3.77Å; Y513-M517 HydrophobicContact CE1-SD 4.08Å; Y513-M517 WeakPolarHBondContact O-CG 3.41Å; Y513-M517 PolarHBondContact O-N 3.03Å; L514-M517 PolarHBondContact O-N 3.2Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.12Å; M517-M520 PolarHBondContact O-N 3.37Å; M517-M520 HydrophobicContact SD-CE 3.85Å; M517-G521 PolarHBondContact O-N 3.21Å; M517-G521 VanDerWaalsContact O-N 3.07Å |
| 518 | I | 96.7 | Very high | 90.6 | Very high | 106 Ų | 106 | 114.5 Ų | 114.5 | 54% | 0.544 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -38.8 | 175.8 | -68.3 | 164.5 | 0 | 0 | 0 | 111.4 | L514 I516 A522 | L514-I518 HydrophobicContact CG-CD1 4.2Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 2.83Å; I516-I518 PolarHBondContact O-N 3.04Å; I518-A522 WeakPolarHBondContact O-CB 3.29Å; I518-A522 PolarHBondContact O-N 3.1Å; I518-A522 VanDerWaalsContact O-N 3.08Å |
| 519 | L | 96.2 | Very high | 89.2 | Confident | 69 Ų | 69 | 113.4 Ų | 113.4 | 36% | 0.361 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.8 | -35.8 | 175.9 | -75.6 | 178 | 0 | 0 | 0 | 113 | F515 I516 M517 L523 | F515-L519 HydrophobicContact CD1-CD1 4.04Å; F515-L519 HydrophobicContact CE1-CD1 3.51Å; F515-L519 HydrophobicContact CE1-CG 4.34Å; F515-L519 HydrophobicContact CE2-CD1 4.44Å; F515-L519 HydrophobicContact CE2-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.75Å; F515-L519 HydrophobicContact CZ-CG 4.25Å; F515-L519 WeakPolarHBondContact O-CG 3.42Å; F515-L519 PolarHBondContact O-N 3.34Å; I516-L519 PolarHBondContact O-N 3.48Å; I516-L519 VanDerWaalsContact O-N 3.13Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.12Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.5Å; L519-L523 PolarHBondContact O-N 3.29Å |
| 520 | M | 94.1 | Very high | 87.3 | Confident | 105 Ų | 105 | 115 Ų | 115 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.3 | -47.6 | 177.9 | -66 | -164.6 | -56.8 | 0 | 0 | 111.6 | I516 M517 A522 L523 D524 | I516-M520 HydrophobicContact CG2-CE 4.44Å; I516-M520 HydrophobicContact CG2-CG 4.46Å; I516-M520 HydrophobicContact CG2-SD 4.47Å; I516-M520 WeakPolarHBondContact O-CG 3.45Å; I516-M520 PolarHBondContact O-N 2.9Å; M517-M520 PolarHBondContact O-N 3.37Å; M517-M520 HydrophobicContact SD-CE 3.85Å; M520-A522 VanDerWaalsContact C-N 3.28Å; M520-A522 PolarHBondContact O-N 3.2Å; M520-L523 WeakPolarHBondContact O-CB 3.4Å; M520-L523 PolarHBondContact O-N 3.31Å; M520-D524 PolarHBondContact O-N 3.1Å |
| 521 | G | 95.2 | Very high | 85.1 | Confident | 33 Ų | 33 | 116 Ų | 116 | 34% | 0.34 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.3 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M517 L523 D524 H525 | M517-G521 PolarHBondContact O-N 3.21Å; M517-G521 VanDerWaalsContact O-N 3.07Å; G521-L523 PolarHBondContact O-N 3.18Å; G521-D524 PolarHBondContact O-N 2.81Å; G521-H525 PolarHBondContact O-CD2 2.93Å; G521-H525 VanDerWaalsContact O-CD2 3.24Å; G521-H525 PolarHBondContact O-N 3.22Å |
| 522 | A | 92.2 | Very high | 83.3 | Confident | 54 Ų | 54 | 116.6 Ų | 116.6 | 45% | 0.446 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.6 | -10.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I518 M520 | I518-A522 WeakPolarHBondContact O-CB 3.29Å; I518-A522 PolarHBondContact O-N 3.1Å; I518-A522 VanDerWaalsContact O-N 3.08Å; M520-A522 VanDerWaalsContact C-N 3.28Å; M520-A522 PolarHBondContact O-N 3.2Å |
| 523 | L | 88.1 | Confident | 81.1 | Confident | 126 Ų | 126 | 120.4 Ų | 120.4 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -92.4 | -43.5 | 170.8 | -73.5 | 167.1 | 0 | 0 | 0 | 111.2 | L519 M520 G521 H525 K526 | L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.5Å; L519-L523 PolarHBondContact O-N 3.29Å; M520-L523 WeakPolarHBondContact O-CB 3.4Å; M520-L523 PolarHBondContact O-N 3.31Å; G521-L523 PolarHBondContact O-N 3.18Å; L523-H525 VanDerWaalsContact C-N 3.33Å; L523-H525 PolarHBondContact O-N 3.37Å; L523-K526 WeakPolarHBondContact O-CB 3.42Å; L523-K526 PolarHBondContact O-N 3.18Å |
| 524 | D | 90.1 | Very high | 78.5 | Confident | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.2 | -43.1 | -177 | -160.1 | 47.9 | 0 | 0 | 0 | 112.2 | M520 G521 K526 E527 | M520-D524 PolarHBondContact O-N 3.1Å; G521-D524 PolarHBondContact O-N 2.81Å; D524-K526 PolarHBondContact O-N 3.15Å; D524-E527 PolarHBondContact O-N 3.19Å |
| 525 | H | 76.2 | Confident | 76 | Confident | 165 Ų | 165 | 121.8 Ų | 121.8 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 6.1 | 175.7 | -63.8 | -38.5 | 0 | 0 | 0 | 116.1 | G521 L523 | G521-H525 PolarHBondContact O-CD2 2.93Å; G521-H525 VanDerWaalsContact O-CD2 3.24Å; G521-H525 PolarHBondContact O-N 3.22Å; L523-H525 VanDerWaalsContact C-N 3.33Å; L523-H525 PolarHBondContact O-N 3.37Å |
| 526 | K | 69.2 | Low | 73.5 | Confident | 174 Ų | 174 | 125.7 Ų | 125.7 | 76% | 0.757 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -12 | -179.5 | -72.2 | -172.1 | 173.3 | -179.9 | 0 | 115.8 | L523 D524 K528 | L523-K526 WeakPolarHBondContact O-CB 3.42Å; L523-K526 PolarHBondContact O-N 3.18Å; D524-K526 PolarHBondContact O-N 3.15Å; K526-K528 VanDerWaalsContact C-N 3.34Å; K526-K528 PolarHBondContact O-N 3.19Å |
| 527 | E | 69.5 | Low | 71.2 | Confident | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | | | trans | -92.8 | 63.3 | -177.6 | -162.5 | 148.7 | -142.1 | 0 | 0 | 111.9 | D524 | D524-E527 PolarHBondContact O-N 3.19Š|
| 528 | K | 66.7 | Low | 68.7 | Low | 186 Ų | 186 | 132.2 Ų | 132.2 | 81% | 0.809 | 69% | 0.692 | S | S | * | * | | | trans | -78.2 | 127.9 | 162 | -79.4 | -165.3 | 174.3 | -170.6 | 0 | 109.2 | K526 E530 | K526-K528 VanDerWaalsContact C-N 3.34Å; K526-K528 PolarHBondContact O-N 3.19Å; K528-E530 PolarHBondContact O-N 2.79Å |
| 529 | P | 66.1 | Low | 66.3 | Low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | | | trans | -76.7 | 95.2 | -179.9 | 29.7 | -34.3 | 0 | 0 | 0 | 111.9 | D531 | P529-D531 PolarHBondContact O-N 2.88Š|
| 530 | E | 56.7 | Low | 63.9 | Low | 190 Ų | 190 | 138.4 Ų | 138.4 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | | | trans | -78.8 | 89.7 | 159.8 | -71 | -173.6 | 135 | 0 | 0 | 109.9 | K528 | K528-E530 PolarHBondContact O-N 2.79Š|
| 531 | D | 51.6 | Low | 61.2 | Low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | | | | 179.3 | 149.2 | 122.4 | -116.8 | -35.9 | 0 | 0 | 0 | 113.1 | P529 | P529-D531 PolarHBondContact O-N 2.88Š|
| 532 | G | 59.1 | Low | 58.8 | Low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | 178.7 | 88.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 533 | E | 48.9 | Very low | 56.5 | Low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -70.1 | 146 | -167.5 | -61.6 | 179.5 | 108.5 | 0 | 0 | 115.7 | | |
| 534 | E | 43.1 | Very low | 54.4 | Low | 145 Ų | 145 | 146.9 Ų | 146.9 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | 17.6 | 138 | 159.2 | -68.6 | -163.1 | 177 | 0 | 0 | 121.3 | K536 | E534-K536 IonicContact OE1-NZ 2.56Å; E534-K536 IonicContact OE2-NZ 2.72Å; E534-K536 PolarHBondContact OE2-NZ 3.43Å |
| 535 | P | 46.1 | Very low | 52.3 | Low | 130 Ų | 130 | 149.2 Ų | 149.2 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | | | | -134.5 | 166.7 | 98.7 | 38.6 | -30.7 | 0 | 0 | 0 | 115.8 | | |
| 536 | K | 44.1 | Very low | 50.7 | Low | 151 Ų | 151 | 149.9 Ų | 149.9 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | | | trans | -91.6 | 148 | 178.3 | -54.2 | 163.2 | 177.2 | 65.5 | 0 | 110.5 | E534 | E534-K536 IonicContact OE1-NZ 2.56Å; E534-K536 IonicContact OE2-NZ 2.72Å; E534-K536 PolarHBondContact OE2-NZ 3.43Å |
| 537 | E | 48.3 | Very low | 49.2 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | | 167.1 | 141.9 | 109.5 | -92.6 | -170 | -146.1 | 0 | 0 | 114.4 | | |
| 538 | N | 45.5 | Very low | 47.7 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | 43 | 121.4 | 150.1 | -41.1 | -32.1 | 0 | 0 | 0 | 121.5 | | |
| 539 | E | 46.1 | Very low | 46.4 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | | -167.1 | 178.5 | 94.8 | -105 | -172.8 | -177.3 | 0 | 0 | 113.9 | | |
| 540 | S | 44.5 | Very low | 45 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -91.4 | 164.8 | -171.3 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 541 | G | 39 | Very low | 44.2 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | cis | 125.1 | 94.7 | -1.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 542 | T | 44.3 | Very low | 43.7 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | trans | -145 | 121.8 | 165.4 | 46 | 0 | 0 | 0 | 0 | 108.4 | | |
| 543 | E | 43.8 | Very low | 42.8 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | | 59.8 | 126.5 | 75.1 | -67.9 | -141.2 | 174.8 | 0 | 0 | 114 | | |
| 544 | K | 42.9 | Very low | 42.4 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | | | cis | -171.1 | 161.7 | -0.2 | -131.1 | 178.3 | -152.8 | 143.1 | 0 | 111.5 | | |
| 545 | K | 46.9 | Very low | 42.5 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | 75.5 | 157.5 | 166.2 | -59.9 | 164.2 | -175.3 | 175.6 | 0 | 114.8 | | |
| 546 | E | 42.4 | Very low | 42.4 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | cis | -135.8 | 130.8 | 18.8 | -160.9 | 151.1 | -120.5 | 0 | 0 | 114 | | |
| 547 | D | 38.3 | Very low | 42.2 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -100.1 | 144 | 170.8 | -86.8 | -61.8 | 0 | 0 | 0 | 110 | | |
| 548 | G | 38 | Very low | 41.8 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | 111.9 | 158.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 549 | E | 39.1 | Very low | 41.6 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | cis | -149.8 | 158.2 | -4.6 | -155.7 | 176.1 | 157.7 | 0 | 0 | 110.5 | | |
| 550 | T | 35.9 | Very low | 41.4 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | | | trans | -74.7 | 146.3 | 176.7 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 551 | D | 40.1 | Very low | 41.4 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | | 143.6 | 150.1 | 111 | -162.7 | 26.2 | 0 | 0 | 0 | 114.7 | | |
| 552 | S | 41.5 | Very low | 41.5 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | | | trans | -10.6 | 140.3 | 160.2 | -54.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 553 | Q | 39.1 | Very low | 41.5 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | | -167 | 163.3 | 89.9 | -102.2 | -174.2 | 25 | 0 | 0 | 116.9 | | |
| 554 | E | 41.3 | Very low | 41.6 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -64.8 | 136.3 | -173.5 | -84.9 | -169.8 | 97.4 | 0 | 0 | 116.9 | | |
| 555 | K | 46.1 | Very low | 41.6 | Very low | 174 Ų | 174 | 140 Ų | 140 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | 74.1 | 149.3 | 135.2 | -75.8 | 176.6 | 179.7 | 144.6 | 0 | 120.9 | | |
| 556 | P | 42.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | trans | -95.7 | 169.4 | -176.1 | 39.8 | -37.6 | 0 | 0 | 0 | 113.5 | | |
| 557 | V | 40.4 | Very low | 41.7 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | | | trans | -157.2 | 149 | 133 | 130.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 558 | E | 39.4 | Very low | 41.8 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | | | trans | -34.2 | 140.1 | 176.3 | -51.3 | 162 | 131.9 | 0 | 0 | 117.2 | | |
| 559 | A | 40.8 | Very low | 42.2 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 78% | 0.777 | 69% | 0.694 | S | S | * | * | | | | 172.3 | 106.2 | 109.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 560 | E | 42.5 | Very low | 42.3 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 69% | 0.688 | S | S | * | * | | | | 59 | 141 | 127 | -103 | -175.2 | 174.9 | 0 | 0 | 125 | | |
| 561 | Y | 45.9 | Very low | 42.6 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | | | trans | 75.9 | 75.7 | 155.3 | -72.9 | -68.3 | 0 | 0 | 0 | 123.2 | | |
| 562 | A | 41.1 | Very low | 43.5 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 72% | 0.719 | 69% | 0.694 | S | S | * | * | | | | 63.5 | 150.7 | 103.3 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 563 | S | 44 | Very low | 44 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | | | trans | 79.3 | 136.6 | 145.3 | -159.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 564 | S | 45.8 | Very low | 44.2 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | | | cis | -172.3 | 152.5 | -2.4 | -110.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 565 | D | 42.5 | Very low | 44 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | | | trans | 62.1 | 123.5 | 134.7 | -67.8 | -60.3 | 0 | 0 | 0 | 124.7 | | |
| 566 | E | 45.1 | Very low | 43.9 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 62% | 0.621 | 70% | 0.699 | S | S | * | * | | | | 87.5 | 154.1 | 121.5 | -73.3 | -154.7 | 137.2 | 0 | 0 | 123.7 | K373 | K373-E566 IonicContact NZ-OE1 2.84Å; K373-E566 PolarHBondContact NZ-OE1 3.02Å |
| 567 | N | 45.7 | Very low | 44.3 | Very low | 62 Ų | 62 | 129.8 Ų | 129.8 | 33% | 0.332 | 70% | 0.695 | S | S | . | * | | | cis | 178.8 | 126.2 | -13.5 | 178.2 | 2.9 | 0 | 0 | 0 | 113.5 | N372 | N372-N567 VanDerWaalsContact ND2-CA 3.33Å; N372-N567 WeakPolarHBondContact ND2-CA 3.34Å; N372-N567 PolarHBondContact ND2-OD1 3.05Å |
| 568 | K | 41.6 | Very low | 44.4 | Very low | 68 Ų | 68 | 130 Ų | 130 | 30% | 0.296 | 69% | 0.692 | S | S | . | * | | | trans | 97.9 | 117.5 | 143.3 | -105.9 | 177.2 | 177.1 | -58 | 0 | 123.6 | P371 N372 K373 | P371-K568 CarbonylContact O-C 3.58Å; P371-K568 WeakPolarHBondContact O-CA 3.48Å; P371-K568 PolarHBondContact O-N 3.49Å; N372-K568 WeakPolarHBondContact ND2-CA 3.46Å; N372-K568 PolarHBondContact ND2-N 3.15Å; N372-K568 WeakPolarHBondContact O-CG 3.41Å; K373-K568 VanDerWaalsContact O-CE 3.28Å; K373-K568 WeakPolarHBondContact O-CE 3.49Å; K373-K568 PolarHBondContact O-NZ 3.41Å |
| 569 | E | 45.7 | Very low | 44.6 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 53% | 0.528 | 69% | 0.694 | S | S | . | * | | | | 112.1 | 137.2 | 110.7 | -151.4 | 130.4 | -124.4 | 0 | 0 | 124.1 | P371 | P371-E569 PolarHBondContact O-N 3.1Š|
| 570 | E | 41.5 | Very low | 44.7 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | | | trans | 74.9 | 103.5 | 147 | -90 | 168.8 | -174 | 0 | 0 | 126.4 | | |
| 571 | Q | 41.2 | Very low | 45.1 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | | | | 41.8 | 140.9 | 129.8 | -70.3 | -172.3 | -22.6 | 0 | 0 | 126.4 | | |
| 572 | P | 59.4 | Low | 44.9 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | | | trans | -102.7 | -175.5 | 163.8 | 42.4 | -34.8 | 0 | 0 | 0 | 113.6 | | |
| 573 | P | 52.1 | Low | 45.3 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | | -155.8 | 175 | 121 | 41.2 | -23.8 | 0 | 0 | 0 | 118.9 | | |
| 574 | E | 43.7 | Very low | 45.5 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | 92.1 | 125 | 141.9 | -89.7 | 178.4 | -130.3 | 0 | 0 | 126.4 | | |
| 575 | Q | 36.7 | Very low | 46 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | | | trans | 94.8 | 148.2 | 138.6 | -70.1 | -179.1 | 25.3 | 0 | 0 | 124.6 | | |
| 576 | E | 44.8 | Very low | 46.3 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | | | trans | -110.1 | -143.3 | -160.8 | -32.5 | 171.4 | 113.1 | 0 | 0 | 112.8 | | |
| 577 | P | 50 | Low | 46.2 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | cis | -139.7 | 170.8 | -1.2 | 43.1 | -23.4 | 0 | 0 | 0 | 119.6 | | |
| 578 | N | 42 | Very low | 46.2 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | 23.1 | 140.9 | 144.4 | -54.8 | -8.1 | 0 | 0 | 0 | 124.7 | | |
| 579 | T | 44.3 | Very low | 46.2 | Very low | 142 Ų | 142 | 156 Ų | 156 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | | -171.1 | 158 | 126.1 | 6.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 580 | E | 43.2 | Very low | 46.1 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -90.2 | 171.3 | -175.7 | -49.1 | 133.2 | 96.5 | 0 | 0 | 115.5 | | |
| 581 | M | 50.5 | Low | 46.4 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 96% | 0.956 | 80% | 0.796 | S | S | * | * | | | | -168.8 | 154.3 | 126.6 | -109.7 | 179.4 | -66.3 | 0 | 0 | 113.6 | | |
| 582 | E | 41.5 | Very low | 46.7 | Very low | 181 Ų | 181 | 153.6 Ų | 153.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -130.9 | 144.6 | -173.8 | 178.5 | -167.1 | -163.5 | 0 | 0 | 110.7 | | |
| 583 | E | 50.2 | Low | 45.9 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -160.1 | 156.7 | 158.2 | -128.3 | 171.9 | -171.5 | 0 | 0 | 112.9 | | |
| 584 | K | 48 | Very low | 45.8 | Very low | 195 Ų | 195 | 158.3 Ų | 158.3 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -127.8 | -172.9 | -168.3 | -117.4 | -161.5 | 168.8 | 169.3 | 0 | 112.7 | | |
| 585 | P | 57.2 | Low | 45.6 | Very low | 107 Ų | 107 | 157.2 Ų | 157.2 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | trans | -117 | 178.8 | -143.3 | 44.2 | -31.6 | 0 | 0 | 0 | 116.5 | | |
| 586 | E | 48.4 | Very low | 46.5 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | | | trans | -136.7 | 179.7 | 166.3 | -75.6 | -163.8 | 144 | 0 | 0 | 112.4 | | |
| 587 | N | 41.7 | Very low | 46.5 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -125.2 | 178.8 | -147.8 | -168.2 | 27.8 | 0 | 0 | 0 | 115.4 | | |
| 588 | E | 45.6 | Very low | 46.3 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | | | trans | 99 | 149.9 | 136 | -119.9 | 156.7 | -108.5 | 0 | 0 | 123.9 | | |
| 589 | E | 43.1 | Very low | 46.5 | Very low | 157 Ų | 157 | 154 Ų | 154 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | 82.5 | 87.7 | 155 | -64.7 | -150.6 | 127.5 | 0 | 0 | 126 | | |
| 590 | T | 43.4 | Very low | 46.8 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | | | | 70.2 | 142.8 | 115.6 | 62.8 | 0 | 0 | 0 | 0 | 126.8 | | |
| 591 | E | 47.8 | Very low | 47.2 | Very low | 166 Ų | 166 | 156.4 Ų | 156.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | | 105.7 | 138.1 | 127.7 | -124.4 | -172.5 | -148 | 0 | 0 | 123.8 | | |
| 592 | N | 47.5 | Very low | 47.1 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | | | trans | 101.5 | 95.7 | 149.4 | -68.1 | -57.7 | 0 | 0 | 0 | 124.3 | | |
| 593 | T | 41.8 | Very low | 47.3 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -16.2 | 141.5 | 136.6 | 11.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 594 | E | 49.6 | Very low | 47 | Very low | 197 Ų | 197 | 151.3 Ų | 151.3 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | | -167.8 | 170.3 | 112.8 | -129.2 | 179.6 | 162.4 | 0 | 0 | 112.7 | | |
| 595 | N | 40.3 | Very low | 46.9 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -148.1 | 148.5 | -173.9 | -177.4 | 3.3 | 0 | 0 | 0 | 110.3 | | |
| 596 | P | 55.7 | Low | 46.6 | Very low | 105 Ų | 105 | 151 Ų | 151 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | | -160.8 | 140.8 | 122.3 | 37 | -16 | 0 | 0 | 0 | 120.8 | | |
| 597 | N | 44.1 | Very low | 46.4 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | | 67.5 | 157.1 | 129.6 | -65.2 | 1.4 | 0 | 0 | 0 | 126 | | |
| 598 | N | 47.4 | Very low | 46.4 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | 80.3 | 141.3 | 162.8 | -77.2 | 64.9 | 0 | 0 | 0 | 118 | | |
| 599 | D | 44.6 | Very low | 46.8 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | cis | -169.3 | 176 | -21.3 | -119.2 | -18.8 | 0 | 0 | 0 | 109.9 | | |
| 600 | E | 52.5 | Low | 46.5 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | 73 | 104.6 | 177.3 | -53.5 | -172.3 | 144.5 | 0 | 0 | 115.4 | | |
| 601 | E | 51.3 | Low | 46.3 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | | 57.1 | 127.4 | 89.7 | -65.9 | -162.4 | 140.2 | 0 | 0 | 114.2 | | |
| 602 | V | 48 | Very low | 45.9 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | | -154.2 | 140.6 | 58.2 | 165.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 603 | C | 45.4 | Very low | 45.6 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | 51 | 116.7 | 161.1 | -65.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 604 | Y | 44.4 | Very low | 45.5 | Very low | 214 Ų | 214 | 146 Ų | 146 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -98.4 | 157.5 | 157.9 | -100.7 | -110.7 | 0 | 0 | 0 | 110.9 | H606 | Y604-H606 HydrophobicContact CD1-CB 4.43Š|
| 605 | D | 45.8 | Very low | 45.2 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -147.8 | 103.6 | 135.9 | -114.7 | -27.3 | 0 | 0 | 0 | 110.2 | | |
| 606 | H | 50.3 | Low | 45.2 | Very low | 160 Ų | 160 | 145 Ų | 145 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -157.8 | 120 | 175.1 | -134.4 | 73.7 | 0 | 0 | 0 | 107.4 | Y604 | Y604-H606 HydrophobicContact CD1-CB 4.43Š|
| 607 | I | 43.7 | Very low | 44.6 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 65% | 0.651 | 79% | 0.788 | S | S | * | * | | | trans | -141.3 | 97.3 | -174.5 | -54.7 | -178.2 | 0 | 0 | 0 | 111.5 | | |
| 608 | H | 43 | Very low | 44.6 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -78.7 | 141.3 | 150.5 | -91.3 | -96.2 | 0 | 0 | 0 | 109.8 | | |
| 609 | P | 52.4 | Low | 44.2 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | -116.6 | 83 | 170.4 | 37.6 | -27.1 | 0 | 0 | 0 | 113.1 | | |
| 610 | H | 37 | Very low | 44.3 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | | | trans | -75.5 | 129.3 | 155.9 | -90 | -78.8 | 0 | 0 | 0 | 109.7 | | |
| 611 | V | 41 | Very low | 43.9 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -138.4 | 109.4 | 166.5 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 612 | T | 38.7 | Very low | 43.4 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -89.5 | 145.9 | 169 | 46.8 | 0 | 0 | 0 | 0 | 111 | | |
| 613 | A | 41.5 | Very low | 43.1 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -153.2 | 104.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 614 | T | 39.1 | Very low | 42.9 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -99.3 | 132 | 178.1 | 43 | 0 | 0 | 0 | 0 | 112.2 | | |
| 615 | V | 43.9 | Very low | 42.8 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -142.7 | 127.7 | 167.4 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 616 | Q | 40.1 | Very low | 42.8 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -86.6 | 153.8 | 176.2 | -58.7 | 168.6 | -20.5 | 0 | 0 | 111.9 | | |
| 617 | Q | 43.4 | Very low | 42.7 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | | 170 | 138.6 | 105.4 | -92.5 | -164.8 | -23.6 | 0 | 0 | 117.7 | | |
| 618 | S | 42.2 | Very low | 42.6 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | trans | 67.6 | 100.5 | 137.9 | 69.7 | 0 | 0 | 0 | 0 | 123.7 | | |
| 619 | Q | 39.4 | Very low | 42.5 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | | 47.1 | 117.7 | 113.3 | -62.4 | 177.8 | 7.8 | 0 | 0 | 121.9 | | |
| 620 | Q | 46.3 | Very low | 42.2 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | | 168.8 | 154.5 | 121.6 | -94.5 | 155.3 | 87.5 | 0 | 0 | 111.2 | | |
| 621 | S | 44.1 | Very low | 42.5 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | cis | -179.8 | 123.8 | -30.5 | 177.9 | 0 | 0 | 0 | 0 | 109 | | |
| 622 | T | 41.5 | Very low | 43.3 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | 63.3 | 150.6 | 151 | 53.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 623 | V | 42.7 | Very low | 43.4 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | 113.4 | 79.3 | 154.4 | -173.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 624 | T | 39.9 | Very low | 43.6 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | | 84.8 | 108.8 | 79.5 | -61.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 625 | A | 42.5 | Very low | 43.8 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | | 175.4 | 116.7 | 129.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 626 | E | 47 | Very low | 43.8 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -67.1 | 173.2 | 157.9 | -90.6 | 174.2 | 110.6 | 0 | 0 | 112.4 | | |
| 627 | P | 46.3 | Very low | 43.9 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | cis | -141.5 | -178.9 | 26.6 | 43.5 | -24.3 | 0 | 0 | 0 | 118.7 | | |
| 628 | E | 41.9 | Very low | 43.7 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -14.3 | 139.4 | 159.2 | -51.9 | 166.5 | 113.7 | 0 | 0 | 118.4 | | |
| 629 | L | 41.5 | Very low | 44.2 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | -147.8 | 141.8 | 134.8 | -83.4 | -170.7 | 0 | 0 | 0 | 111 | | |
| 630 | T | 45.3 | Very low | 44.7 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 164.1 | 178.6 | 40.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 631 | P | 43.8 | Very low | 44.7 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 154.6 | -169.1 | 28.7 | -37.3 | 0 | 0 | 0 | 114.1 | | |
| 632 | P | 57.4 | Low | 45.1 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 133.3 | 177 | 32.5 | -33.5 | 0 | 0 | 0 | 112.4 | | |
| 633 | K | 42.4 | Very low | 45.7 | Very low | 153 Ų | 153 | 141 Ų | 141 | 67% | 0.665 | 74% | 0.739 | S | S | * | * | | | trans | -123.4 | 174 | 159 | -167 | -169.6 | 157.6 | -84.2 | 0 | 105.4 | | |
| 634 | E | 44.3 | Very low | 46.6 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | | | trans | 71.8 | 155.9 | 163.2 | -59.9 | 159.1 | -170.7 | 0 | 0 | 114.9 | | |
| 635 | E | 44.8 | Very low | 47.1 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | | | cis | -175.1 | 138.9 | -24.1 | -105.3 | 160.1 | -170.1 | 0 | 0 | 105.6 | | |
| 636 | E | 43.6 | Very low | 47.5 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | | | trans | 40.7 | 168.1 | 135.8 | -120.4 | 179.5 | 151.7 | 0 | 0 | 124.7 | E967 | E636-E967 PolarHBondContact N-OE2 3.39Š|
| 637 | E | 42.8 | Very low | 47.6 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | | | trans | 64.3 | 99.9 | 167 | -65.7 | -151.5 | 99.5 | 0 | 0 | 122.6 | | |
| 638 | Q | 38 | Very low | 47.6 | Very low | 114 Ų | 114 | 144 Ų | 144 | 53% | 0.533 | 71% | 0.711 | S | S | . | * | | | | 32.5 | 166.9 | 107.6 | -75.4 | -147.6 | 39.1 | 0 | 0 | 123 | E963 D964 | Q638-E963 PolarHBondContact NE2-O 3.3Å; Q638-D964 PolarHBondContact NE2-O 3.48Å |
| 639 | P | 53.1 | Low | 47.4 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | | | cis | -144.2 | -149.7 | -45.2 | 43.8 | -24.7 | 0 | 0 | 0 | 113.6 | | |
| 640 | E | 49.1 | Very low | 47.5 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 59% | 0.593 | 71% | 0.708 | S | S | * | * | | | trans | 108.7 | 92.2 | 156.9 | -68.8 | -122.2 | 153.5 | 0 | 0 | 123.3 | | |
| 641 | K | 46.9 | Very low | 47.6 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | | | | 55.2 | 118.2 | 117.2 | -60.8 | 167.6 | -163.9 | 159.3 | 0 | 121.7 | | |
| 642 | K | 52 | Low | 47.7 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | | | | 178.4 | 136.9 | 96.9 | -96.4 | -177.4 | -177.5 | 73.4 | 0 | 117 | | |
| 643 | E | 54.1 | Low | 46.8 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | | | trans | 33.2 | 141.4 | 133.1 | -54.1 | 174.3 | 117.8 | 0 | 0 | 120 | | |
| 644 | D | 61.3 | Low | 46.5 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | | | cis | -171.5 | 156.3 | 33.8 | -162.9 | 4.2 | 0 | 0 | 0 | 114 | | |
| 645 | N | 52.1 | Low | 46.2 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 56% | 0.556 | 72% | 0.716 | S | S | * | * | | | trans | 59.7 | 140.6 | 156.1 | -84.4 | -57.5 | 0 | 0 | 0 | 121.2 | | |
| 646 | K | 50.2 | Low | 45.7 | Very low | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | cis | -169.3 | 157.1 | -4.7 | -151.9 | -175.7 | -155.5 | 74 | 0 | 113.3 | | |
| 647 | E | 49.4 | Very low | 45.5 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | | | trans | 98.8 | 95.8 | 156.5 | -57.1 | -137.6 | 90.8 | 0 | 0 | 121.1 | | |
| 648 | K | 44.8 | Very low | 45.2 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | trans | 67.6 | 104.8 | 141.1 | -62.4 | 157.7 | -180 | 153.7 | 0 | 117.9 | | |
| 649 | S | 38.4 | Very low | 45.1 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | cis | 85.6 | 100.3 | 25.8 | -163.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 650 | T | 44.5 | Very low | 44.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | | | | -160.6 | 154.2 | 130 | 24.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 651 | P | 46.6 | Very low | 44 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | -107.1 | 156.4 | -151.5 | 39.1 | -35.4 | 0 | 0 | 0 | 116.4 | | |
| 652 | P | 45.2 | Very low | 43.5 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -85.7 | 147.1 | 141.7 | 35.5 | -28.5 | 0 | 0 | 0 | 110.4 | | |
| 653 | T | 39.1 | Very low | 42.7 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -115.1 | 119 | 170.5 | -62 | 0 | 0 | 0 | 0 | 108.3 | | |
| 654 | T | 36.1 | Very low | 42 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | | | trans | -75.3 | 136.8 | 163.6 | 28.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 655 | T | 38.9 | Very low | 40.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | | | trans | -123.7 | 118.4 | 157.6 | -54.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 656 | S | 34.5 | Very low | 39.9 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | -64.9 | 130.2 | 167.2 | 39.8 | 0 | 0 | 0 | 0 | 109 | | |
| 657 | A | 37.9 | Very low | 39.4 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | -123.9 | 113.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | V659 | A657-V659 PolarHBondContact O-N 2.89Š|
| 658 | E | 36.2 | Very low | 38.9 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -64.1 | 114.5 | 166.9 | -68.5 | 157.1 | 104.4 | 0 | 0 | 107.7 | V660 | E658-V660 HydrophobicContact CB-CG2 4.44Å; E658-V660 PolarHBondContact O-N 3.42Å |
| 659 | V | 36.9 | Very low | 38.7 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | -89.6 | 88.2 | 161.4 | -178.8 | 0 | 0 | 0 | 0 | 105.6 | A657 V661 | A657-V659 PolarHBondContact O-N 2.89Å; V659-V661 PolarHBondContact O-N 3.42Å |
| 660 | V | 37.1 | Very low | 38.5 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 75% | 0.753 | S | S | * | * | | | trans | -59.8 | 118.6 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | E658 V662 | E658-V660 HydrophobicContact CB-CG2 4.44Å; E658-V660 PolarHBondContact O-N 3.42Å; V660-V662 VanDerWaalsContact C-N 3.27Å; V660-V662 HydrophobicContact CG1-CG2 4Å; V660-V662 PolarHBondContact O-N 3.23Å |
| 661 | V | 41 | Very low | 38.3 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | trans | -74 | 88 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | V659 N663 | V659-V661 PolarHBondContact O-N 3.42Å; V661-N663 PolarHBondContact O-N 3.11Å |
| 662 | V | 37 | Very low | 37.7 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 62% | 0.624 | 75% | 0.754 | S | S | * | * | | | trans | -73.2 | 93.8 | 173.2 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | V660 T664 | V660-V662 VanDerWaalsContact C-N 3.27Å; V660-V662 HydrophobicContact CG1-CG2 4Å; V660-V662 PolarHBondContact O-N 3.23Å; V662-T664 HydrophobicContact CG1-CG2 3.79Å; V662-T664 PolarHBondContact O-N 3.14Å |
| 663 | N | 35.7 | Very low | 37.5 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -77.5 | 70.8 | 174.4 | -167.9 | 22.4 | 0 | 0 | 0 | 110.1 | V661 Q665 | V661-N663 PolarHBondContact O-N 3.11Å; N663-Q665 PolarHBondContact O-N 3.35Å |
| 664 | T | 38.1 | Very low | 37.2 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | | | trans | -69.4 | 94.1 | 173.8 | 30.9 | 0 | 0 | 0 | 0 | 110.5 | V662 I666 | V662-T664 HydrophobicContact CG1-CG2 3.79Å; V662-T664 PolarHBondContact O-N 3.14Å; T664-I666 PolarHBondContact O-N 3.47Å |
| 665 | Q | 34.7 | Very low | 37.4 | Very low | 172 Ų | 172 | 129.1 Ų | 129.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -56.3 | 116.7 | 148.9 | -77.3 | -176.4 | -17.4 | 0 | 0 | 107.9 | N663 N667 | N663-Q665 PolarHBondContact O-N 3.35Å; Q665-N667 VanDerWaalsContact C-N 3.28Å; Q665-N667 PolarHBondContact O-N 3.03Å; Q665-N667 VanDerWaalsContact O-N 3.1Å |
| 666 | I | 35.8 | Very low | 37.4 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -83.1 | 81.9 | 169.7 | -57.8 | 178.7 | 0 | 0 | 0 | 106.7 | T664 A668 | T664-I666 PolarHBondContact O-N 3.47Å; I666-A668 PolarHBondContact O-N 3.2Å |
| 667 | N | 39.6 | Very low | 37.5 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -68 | 110.9 | 164.3 | -173.3 | -2.6 | 0 | 0 | 0 | 107.7 | Q665 Q669 | Q665-N667 VanDerWaalsContact C-N 3.28Å; Q665-N667 PolarHBondContact O-N 3.03Å; Q665-N667 VanDerWaalsContact O-N 3.1Å; N667-Q669 PolarHBondContact O-N 3.41Å |
| 668 | A | 38.8 | Very low | 37.6 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -83.5 | 49.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I666 | I666-A668 PolarHBondContact O-N 3.2Š|
| 669 | Q | 39.6 | Very low | 37.7 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 57% | 0.57 | 74% | 0.744 | S | S | * | * | | | trans | -68.9 | 132.7 | 173.9 | -79.5 | -175.7 | -9.2 | 0 | 0 | 111.2 | N667 T671 | N667-Q669 PolarHBondContact O-N 3.41Å; Q669-T671 PolarHBondContact O-N 3.13Å |
| 670 | N | 36 | Very low | 38.4 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 91% | 0.914 | 74% | 0.744 | S | S | * | * | | | trans | -68.1 | 117.7 | 172.5 | -89 | -56 | 0 | 0 | 0 | 110 | | |
| 671 | T | 39.6 | Very low | 38.3 | Very low | 104 Ų | 104 | 129 Ų | 129 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | | | trans | -138.9 | 111.1 | 166.4 | -43.9 | 0 | 0 | 0 | 0 | 111.2 | Q669 I673 | Q669-T671 PolarHBondContact O-N 3.13Å; T671-I673 HydrophobicContact CG2-CD1 4.17Å; T671-I673 HydrophobicContact CG2-CG1 3.91Å; T671-I673 PolarHBondContact O-N 3.03Å |
| 672 | Q | 34.3 | Very low | 38.4 | Very low | 201 Ų | 201 | 129 Ų | 129 | 94% | 0.939 | 75% | 0.747 | S | S | * | * | | | trans | -74.2 | 109.6 | 172.3 | -63.3 | -177.2 | 16 | 0 | 0 | 110 | | |
| 673 | I | 40.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | -120.3 | 96.4 | 170 | -54.3 | -175.3 | 0 | 0 | 0 | 109.5 | T671 V675 | T671-I673 HydrophobicContact CG2-CD1 4.17Å; T671-I673 HydrophobicContact CG2-CG1 3.91Å; T671-I673 PolarHBondContact O-N 3.03Å; I673-V675 HydrophobicContact CG2-CG2 4.14Å; I673-V675 PolarHBondContact O-N 2.9Å |
| 674 | G | 34 | Very low | 38.4 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | | | trans | -73.3 | 122.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 675 | V | 39.5 | Very low | 38.4 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -119.4 | 136.3 | 176.5 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | I673 | I673-V675 HydrophobicContact CG2-CG2 4.14Å; I673-V675 PolarHBondContact O-N 2.9Å |
| 676 | A | 38.2 | Very low | 38.5 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -74.2 | 136.9 | -158.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 677 | E | 36.6 | Very low | 38.6 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | | | trans | 14.4 | 114.8 | 135.6 | -170.5 | -169.9 | -166 | 0 | 0 | 118.6 | V679 | E677-V679 HydrophobicContact CG-CG2 4.2Š|
| 678 | I | 40.4 | Very low | 38.6 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -135.9 | 106.7 | 145.4 | -58.3 | -176.4 | 0 | 0 | 0 | 110.2 | | |
| 679 | V | 39.1 | Very low | 38.9 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | -103.1 | 128.4 | 179.7 | 175.7 | 0 | 0 | 0 | 0 | 112.6 | E677 | E677-V679 HydrophobicContact CG-CG2 4.2Š|
| 680 | P | 51.5 | Low | 39.4 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -98.8 | 94.9 | 166.2 | 34.2 | -29 | 0 | 0 | 0 | 112.4 | | |
| 681 | S | 34.6 | Very low | 40 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -87.6 | 118.7 | -178 | 179.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 682 | V | 43.3 | Very low | 40.4 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -143.6 | 83 | 170.9 | -163.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 683 | Q | 39.7 | Very low | 40.8 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | 38.4 | 91.4 | 131.5 | -55 | 179.1 | 11.1 | 0 | 0 | 121.8 | | |
| 684 | G | 32.6 | Very low | 40.8 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | | 79 | 157.8 | 106.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 685 | A | 38.4 | Very low | 41.2 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | 95.2 | 81.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 686 | K | 36.2 | Very low | 41.3 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | 25.3 | 122.7 | 132.6 | -57.2 | 177.6 | 179.9 | -178.5 | 0 | 120.5 | | |
| 687 | H | 38.9 | Very low | 41.7 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | | -178.6 | 143 | 121.1 | -114.2 | -25.6 | 0 | 0 | 0 | 117.7 | | |
| 688 | I | 40 | Very low | 41.7 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | 82.4 | 121.5 | 141.1 | -69.6 | 162.4 | 0 | 0 | 0 | 120.9 | | |
| 689 | E | 43.4 | Very low | 41.6 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | -80.5 | -179 | 163.7 | -48.2 | 173.1 | 118.5 | 0 | 0 | 113.2 | | |
| 690 | P | 51.9 | Low | 41.4 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -140.1 | 130.8 | 124.5 | 35.6 | -22.6 | 0 | 0 | 0 | 116.6 | | |
| 691 | T | 47 | Very low | 40.6 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -77 | 156 | 165.4 | -4.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 692 | P | 48.7 | Very low | 41.2 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | | -153.1 | 167.3 | 112.7 | 36.8 | -19.5 | 0 | 0 | 0 | 116.5 | | |
| 693 | A | 42.5 | Very low | 41.2 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 59% | 0.587 | 80% | 0.799 | S | S | * | * | | | cis | -178.4 | 130.8 | -26.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 694 | K | 39.9 | Very low | 41.1 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | 68.4 | 161.5 | 145.6 | -57.3 | 163.3 | -174.2 | 165.8 | 0 | 117.6 | | |
| 695 | T | 43.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | cis | -137.1 | 142.3 | 17.5 | 43 | 0 | 0 | 0 | 0 | 116.3 | | |
| 696 | T | 41.8 | Very low | 41.3 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -62.6 | -177 | 161.6 | 27.2 | 0 | 0 | 0 | 0 | 115 | | |
| 697 | P | 45.1 | Very low | 41.5 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -144.4 | 158 | 14.1 | 37.4 | -15.3 | 0 | 0 | 0 | 121.4 | | |
| 698 | R | 37.2 | Very low | 41.6 | Very low | 234 Ų | 234 | 137.5 Ų | 137.5 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | 6.1 | 145.6 | 138.9 | -62.5 | 174.3 | 167.1 | 169.5 | -4.7 | 121.3 | | |
| 699 | V | 37.5 | Very low | 41.8 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | | -173.3 | 153.4 | 103.6 | 145.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 700 | R | 36 | Very low | 41.7 | Very low | 230 Ų | 230 | 136.9 Ų | 136.9 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | | | trans | -81.7 | 146.4 | -178 | -61 | 169.4 | 171 | 159.3 | -7.3 | 113.8 | | |
| 701 | C | 34.9 | Very low | 41.4 | Very low | 125 Ų | 125 | 137 Ų | 137 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | | 169 | 144.3 | 116.4 | -89.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 702 | P | 46.7 | Very low | 41 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -104.9 | -170.1 | 178.5 | 42.3 | -36.3 | 0 | 0 | 0 | 112.8 | | |
| 703 | P | 42.5 | Very low | 40.8 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | cis | -111.6 | 169.8 | -49.1 | 36.5 | -26 | 0 | 0 | 0 | 110.8 | | |
| 704 | G | 39 | Very low | 40.8 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -177.7 | 88.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 705 | D | 37.3 | Very low | 40.9 | Very low | 129 Ų | 129 | 134 Ų | 134 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | | | | 39.6 | 111.4 | 129.7 | -131.6 | 29.8 | 0 | 0 | 0 | 121.4 | | |
| 706 | K | 37.2 | Very low | 40.7 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | | | trans | 77.5 | 138.8 | 139 | -69.4 | 173.9 | -179.7 | 74.9 | 0 | 123.3 | | |
| 707 | H | 41.7 | Very low | 40.5 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | 82 | 86.3 | 148.5 | -60.3 | -43.4 | 0 | 0 | 0 | 122.6 | | |
| 708 | A | 39.9 | Very low | 40.2 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | | 81 | 163.1 | 101.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 709 | V | 44.5 | Very low | 40.4 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | 88.4 | 84.5 | 164.2 | -163.6 | 0 | 0 | 0 | 0 | 118 | | |
| 710 | N | 42.1 | Very low | 40.5 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -85.2 | 173.4 | 144 | -147.7 | 12 | 0 | 0 | 0 | 107.7 | | |
| 711 | V | 43.9 | Very low | 40.4 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | | | cis | -142.3 | 167.6 | 10.7 | -156.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 712 | G | 38.7 | Very low | 40.4 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | 179.1 | 82.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 713 | G | 45.5 | Very low | 40 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | -160 | 139 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 714 | Q | 41.3 | Very low | 39.8 | Very low | 173 Ų | 173 | 126 Ų | 126 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -166.1 | 150.5 | 166.7 | -113.8 | -167.8 | 8.9 | 0 | 0 | 114.5 | | |
| 715 | N | 43.5 | Very low | 40.1 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | | | trans | 78.8 | 106.1 | 141.2 | -66.9 | -2.6 | 0 | 0 | 0 | 124.6 | | |
| 716 | C | 37.6 | Very low | 40.1 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | | 77.5 | 143.2 | 115.4 | -60.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 717 | G | 39.4 | Very low | 40.2 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -178.9 | 4.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 718 | N | 38.5 | Very low | 40.1 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | trans | 49.9 | 158 | 157.8 | -73.2 | 0.1 | 0 | 0 | 0 | 124.6 | | |
| 719 | E | 41.8 | Very low | 40 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | 80.6 | 103.7 | 151.4 | -79.3 | -159.7 | 123.3 | 0 | 0 | 124 | | |
| 720 | K | 39.1 | Very low | 39.9 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | | 67.6 | 130.3 | 115.3 | -76.2 | -176.8 | -163.5 | 148.6 | 0 | 123.5 | | |
| 721 | Q | 34.5 | Very low | 39.9 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | trans | 84.6 | 121.3 | 134.4 | -76.1 | -173.3 | 19.4 | 0 | 0 | 122.2 | | |
| 722 | V | 34.4 | Very low | 39.7 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | | | trans | 61.1 | 105.9 | 132.5 | -176 | 0 | 0 | 0 | 0 | 118.7 | | |
| 723 | A | 38.3 | Very low | 39.8 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | | | | -179.2 | 131 | 117.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 724 | T | 37 | Very low | 39.8 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | | | trans | -72.6 | 165 | 154.6 | 52.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 725 | P | 45.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | cis | -163.6 | 178 | 45.9 | 45.7 | -22.6 | 0 | 0 | 0 | 121.6 | | |
| 726 | T | 37.6 | Very low | 39.7 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 63% | 0.632 | 75% | 0.747 | S | S | * | * | | | trans | 74 | 111.2 | 136.6 | -79.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 727 | K | 38.7 | Very low | 40.5 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | | | trans | 50.1 | 138.2 | 131 | -45.8 | 173.7 | -164.6 | 177.7 | 0 | 118.9 | | |
| 728 | M | 39.4 | Very low | 41 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 77% | 0.768 | 74% | 0.742 | S | S | * | * | | | | -178.7 | 135.7 | 78.6 | -91.6 | -155.9 | -163.4 | 0 | 0 | 114.6 | | |
| 729 | T | 38.7 | Very low | 41.5 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | | | trans | 65 | 159.3 | 139.8 | 67 | 0 | 0 | 0 | 0 | 119.4 | | |
| 730 | L | 41.8 | Very low | 41.7 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | cis | -164.5 | 167.8 | -9.4 | -131.3 | 73.5 | 0 | 0 | 0 | 105.9 | | |
| 731 | A | 42.2 | Very low | 41.5 | Very low | 63 Ų | 63 | 134 Ų | 134 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | | | cis | -170.6 | 156.9 | -7.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 732 | R | 41.1 | Very low | 41.9 | Very low | 230 Ų | 230 | 134.5 Ų | 134.5 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | | | trans | 66.8 | 156.4 | 146.3 | -66.9 | 172.7 | 171.1 | 166.4 | -4.3 | 117.6 | | |
| 733 | T | 39.8 | Very low | 42 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | | | cis | -176.2 | 159.5 | -9.9 | 32.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 734 | T | 44.6 | Very low | 42.2 | Very low | 103 Ų | 103 | 134 Ų | 134 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | | | cis | 178.2 | 175.6 | -13 | -79.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 735 | Y | 44.6 | Very low | 42.3 | Very low | 225 Ų | 225 | 135 Ų | 135 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | | | trans | 79.8 | 139.4 | -179.9 | -52.1 | -78.6 | 0 | 0 | 0 | 114.3 | | |
| 736 | A | 39.3 | Very low | 41.9 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | | | cis | -159.6 | 140.8 | -14.4 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 737 | I | 53.7 | Low | 42.1 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | | | | 60.8 | 126.3 | 66 | -64.5 | 178.6 | 0 | 0 | 0 | 111.3 | I739 | I737-I739 HydrophobicContact CG1-CD1 4.4Å; I737-I739 HydrophobicContact CG2-CD1 3.94Å; I737-I739 HydrophobicContact CG2-CG1 4.42Å |
| 738 | P | 49.5 | Very low | 42 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | | | cis | -111.5 | 170 | 28 | 43.9 | -35.6 | 0 | 0 | 0 | 115.1 | | |
| 739 | I | 49 | Very low | 42 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | cis | 83.3 | 139.4 | 23.5 | -58.8 | 178.9 | 0 | 0 | 0 | 114.2 | I737 | I737-I739 HydrophobicContact CG1-CD1 4.4Å; I737-I739 HydrophobicContact CG2-CD1 3.94Å; I737-I739 HydrophobicContact CG2-CG1 4.42Å |
| 740 | P | 46.2 | Very low | 42 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | | | cis | -111.5 | 179.4 | -11.4 | 43 | -30.8 | 0 | 0 | 0 | 111.8 | | |
| 741 | Q | 36.5 | Very low | 42 | Very low | 165 Ų | 165 | 142 Ų | 142 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | | | cis | 89.3 | 149.9 | 9.7 | -139.4 | 174.6 | 10.5 | 0 | 0 | 118 | | |
| 742 | E | 41.6 | Very low | 42 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | 72.9 | 114.2 | 178.3 | -56.9 | 178.8 | -166.5 | 0 | 0 | 114.5 | | |
| 743 | A | 37.5 | Very low | 42.4 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | cis | 82.1 | 159.7 | 20.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 744 | T | 41.6 | Very low | 42.6 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | | | trans | 69.5 | 155.9 | -177.4 | 67.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 745 | Q | 40.2 | Very low | 42.5 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | | | cis | 169.2 | 152.7 | -26.3 | 177.4 | 170.5 | 8.7 | 0 | 0 | 105 | | |
| 746 | E | 37.2 | Very low | 42.4 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | -26.6 | 134.7 | 167.7 | -47.1 | 153.1 | 96.6 | 0 | 0 | 116.7 | | |
| 747 | R | 40.6 | Very low | 42.7 | Very low | 231 Ų | 231 | 138.9 Ų | 138.9 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | | | | -171.7 | 133.6 | 120 | -108.3 | 176.9 | -179.5 | 123.1 | 6 | 115.1 | | |
| 748 | N | 37.2 | Very low | 42.1 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | | | | 20.6 | 138.2 | 129.3 | -72.8 | 40 | 0 | 0 | 0 | 121.7 | | |
| 749 | E | 39.2 | Very low | 41.9 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | trans | 70.8 | 146.2 | 146.3 | -62 | 159.9 | -117.6 | 0 | 0 | 115.5 | | |
| 750 | E | 39.5 | Very low | 42 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | cis | -159.3 | 132.6 | 23.4 | -154.3 | -173.3 | 156.5 | 0 | 0 | 113.1 | | |
| 751 | K | 41.5 | Very low | 41.9 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 70% | 0.704 | 75% | 0.751 | S | S | * | * | | | trans | 50.7 | 128.5 | 146.5 | -68.5 | 166 | -152.9 | 156.5 | 0 | 123.6 | | |
| 752 | V | 41.1 | Very low | 42.1 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | | 1.4 | 149.6 | 128.8 | -87.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 753 | P | 49.1 | Very low | 42 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | cis | -153.9 | 169 | 44.3 | 42.5 | -21.3 | 0 | 0 | 0 | 121.4 | | |
| 754 | T | 44 | Very low | 42.3 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | 68 | 105.5 | 144.5 | 42.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 755 | S | 43.4 | Very low | 42.3 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | | 61.6 | 105.4 | 121.5 | 68.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 756 | A | 42.8 | Very low | 42.5 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | | -170.5 | 109.3 | 117.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 757 | E | 45.2 | Very low | 42.7 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | | 87.4 | 135.3 | 65.7 | -159.5 | -172.2 | -151.7 | 0 | 0 | 113.8 | | |
| 758 | V | 42.1 | Very low | 42.7 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | trans | 94.9 | 132.7 | 167.4 | -170.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 759 | T | 44.7 | Very low | 42.8 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | | | trans | 61.7 | 115.1 | 171.3 | 40.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 760 | T | 50.1 | Low | 43 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | | | cis | 66.3 | 135.4 | 37.8 | 91.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 761 | E | 45.3 | Very low | 43.2 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | cis | -139.4 | 172.2 | -4.2 | -94.6 | 125.9 | 121.9 | 0 | 0 | 107.2 | | |
| 762 | G | 40.4 | Very low | 43.5 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | cis | 146.9 | 91.5 | -1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 763 | Q | 39.6 | Very low | 44 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 95% | 0.949 | 77% | 0.773 | S | S | * | * | | | trans | -166.1 | 151.1 | 152.6 | -116.5 | 179.2 | -26.8 | 0 | 0 | 109.3 | | |
| 764 | E | 43.4 | Very low | 43.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | | | trans | -97.8 | 147.6 | -154 | -64.8 | -172.6 | 98 | 0 | 0 | 115.6 | K766 | E764-K766 IonicContact OE1-NZ 2.7Š|
| 765 | K | 42.2 | Very low | 43.9 | Very low | 200 Ų | 200 | 139.8 Ų | 139.8 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | | | trans | -124.2 | 130.6 | 159.3 | -69 | -171 | 175.5 | -166.5 | 0 | 108.5 | | |
| 766 | K | 45 | Very low | 44.1 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | trans | -136.9 | 80.6 | 165.6 | -78.9 | 179.6 | -178.5 | 155 | 0 | 109.8 | E764 | E764-K766 IonicContact OE1-NZ 2.7Š|
| 767 | S | 40.8 | Very low | 44.7 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -80.8 | 110.3 | 159.3 | 46.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 768 | T | 41.3 | Very low | 45 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -101.4 | 114.1 | 171.6 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | L770 | T768-L770 PolarHBondContact O-N 3.08Š|
| 769 | N | 38.5 | Very low | 46.2 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | -63.3 | 127.7 | 173.4 | -62.2 | -16.3 | 0 | 0 | 0 | 109.4 | | |
| 770 | L | 42.3 | Very low | 47.9 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | | | trans | -86.7 | 141.1 | 159.9 | -123.3 | 73.2 | 0 | 0 | 0 | 108.8 | T768 V772 | T768-L770 PolarHBondContact O-N 3.08Å; L770-V772 PolarHBondContact O-N 3.26Å |
| 771 | E | 44.7 | Very low | 49.3 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | -83 | 89.7 | 178.1 | -172.2 | 178.1 | 124 | 0 | 0 | 108.8 | K773 | E771-K773 PolarHBondContact O-N 3.23Å; E771-K773 WeakPolarHBondContact OE1-CE 3.42Å; E771-K773 IonicContact OE1-NZ 3.98Å; E771-K773 PolarHBondContact OE1-NZ 3.43Å |
| 772 | V | 47.1 | Very low | 50.7 | Low | 115 Ų | 115 | 136.9 Ų | 136.9 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | | | trans | -64.5 | 129.4 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | L770 | L770-V772 PolarHBondContact O-N 3.26Š|
| 773 | K | 52.6 | Low | 52.8 | Low | 163 Ų | 163 | 137.8 Ų | 137.8 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | | | trans | -113.9 | 107.2 | 169.9 | -79.6 | -180 | 173.8 | 145.7 | 0 | 108.1 | E771 G775 | E771-K773 PolarHBondContact O-N 3.23Å; E771-K773 WeakPolarHBondContact OE1-CE 3.42Å; E771-K773 IonicContact OE1-NZ 3.98Å; E771-K773 PolarHBondContact OE1-NZ 3.43Å; K773-G775 PolarHBondContact O-N 3.45Å |
| 774 | D | 45.3 | Very low | 54.8 | Low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | | | trans | -64.6 | 122.1 | 175.6 | -57 | -58.5 | 0 | 0 | 0 | 109.5 | | |
| 775 | G | 44.5 | Very low | 56.7 | Low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | | | trans | -153.3 | 47.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | K773 E777 | K773-G775 PolarHBondContact O-N 3.45Å; G775-E777 VanDerWaalsContact C-N 3.27Å; G775-E777 PolarHBondContact O-N 3.02Å |
| 776 | L | 48.8 | Very low | 58.8 | Low | 146 Ų | 146 | 125.9 Ų | 125.9 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | | | trans | -87.1 | 69.1 | -168.6 | -150.9 | 165.5 | 0 | 0 | 0 | 109.5 | T778 | L776-T778 HydrophobicContact CD2-CG2 3.65Å; L776-T778 PolarHBondContact O-N 3.08Å; L776-T778 VanDerWaalsContact O-N 3.16Å |
| 777 | E | 54.4 | Low | 60.8 | Low | 186 Ų | 186 | 127 Ų | 127 | 87% | 0.869 | 67% | 0.667 | S | S | * | * | | | trans | -66.7 | 107.3 | 165.3 | -70.8 | -176.5 | 143.2 | 0 | 0 | 108.1 | G775 N779 | G775-E777 VanDerWaalsContact C-N 3.27Å; G775-E777 PolarHBondContact O-N 3.02Å; E777-N779 PolarHBondContact O-N 3.2Å |
| 778 | T | 51.7 | Low | 63 | Low | 94 Ų | 94 | 125.7 Ų | 125.7 | 58% | 0.577 | 65% | 0.651 | S | S | * | * | | | trans | -71.1 | 97.6 | 178 | 46.9 | 0 | 0 | 0 | 0 | 109.3 | L776 D780 | L776-T778 HydrophobicContact CD2-CG2 3.65Å; L776-T778 PolarHBondContact O-N 3.08Å; L776-T778 VanDerWaalsContact O-N 3.16Å; T778-D780 VanDerWaalsContact C-N 3.35Å; T778-D780 PolarHBondContact O-N 3.04Å |
| 779 | N | 67.9 | Low | 65.2 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | | | trans | -71.7 | 94.6 | 167 | -175.5 | -18.3 | 0 | 0 | 0 | 108.9 | E777 E781 Q782 V783 | E777-N779 PolarHBondContact O-N 3.2Å; N779-E781 PolarHBondContact O-N 3.03Å; N779-E781 VanDerWaalsContact O-N 3.15Å; N779-E781 WeakPolarHBondContact OD1-CB 3.35Å; N779-E781 PolarHBondContact OD1-N 3.46Å; N779-Q782 PolarHBondContact O-N 2.67Å; N779-Q782 PolarHBondContact OD1-N 2.84Å; N779-V783 PolarHBondContact O-N 3.44Å |
| 780 | D | 79.7 | Confident | 67.6 | Low | 109 Ų | 109 | 120.3 Ų | 120.3 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57.5 | -25.1 | -179.6 | -67.3 | -30.6 | 0 | 0 | 0 | 112.9 | T778 V783 T784 | T778-D780 VanDerWaalsContact C-N 3.35Å; T778-D780 PolarHBondContact O-N 3.04Å; D780-V783 PolarHBondContact O-N 2.71Å; D780-T784 VanDerWaalsContact O-CB 3.3Å; D780-T784 WeakPolarHBondContact O-CB 3.37Å; D780-T784 PolarHBondContact O-N 3.08Å; D780-T784 PolarHBondContact O-OG1 3.29Å |
| 781 | E | 79.9 | Confident | 69.8 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.9 | -38.5 | 175.7 | -163 | 176.1 | -143.1 | 0 | 0 | 111.6 | N779 T784 N785 | N779-E781 PolarHBondContact O-N 3.03Å; N779-E781 VanDerWaalsContact O-N 3.15Å; N779-E781 WeakPolarHBondContact OD1-CB 3.35Å; N779-E781 PolarHBondContact OD1-N 3.46Å; E781-T784 PolarHBondContact O-N 3.05Å; E781-N785 WeakPolarHBondContact O-CB 3.33Å; E781-N785 VanDerWaalsContact O-CG 3.26Å; E781-N785 PolarHBondContact O-N 3.48Å; E781-N785 PolarHBondContact O-ND2 3.38Å |
| 782 | Q | 75.3 | Confident | 71.9 | Confident | 104 Ų | 104 | 113.6 Ų | 113.6 | 49% | 0.486 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.7 | -37 | 171.6 | -83.8 | -158.4 | 34 | 0 | 0 | 112.5 | N779 R786 | N779-Q782 PolarHBondContact O-N 2.67Å; N779-Q782 PolarHBondContact OD1-N 2.84Å; Q782-R786 WeakPolarHBondContact O-CG 3.37Å; Q782-R786 PolarHBondContact O-N 2.6Å |
| 783 | V | 83.5 | Confident | 73.9 | Confident | 91 Ų | 91 | 113.9 Ų | 113.9 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.3 | -41.7 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | N779 D780 R787 | N779-V783 PolarHBondContact O-N 3.44Å; D780-V783 PolarHBondContact O-N 2.71Å; V783-R787 WeakPolarHBondContact O-CB 3.43Å; V783-R787 PolarHBondContact O-N 3.25Å |
| 784 | T | 82.8 | Confident | 75.6 | Confident | 73 Ų | 73 | 110.4 Ų | 110.4 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.6 | -46.7 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | D780 E781 R787 N788 | D780-T784 VanDerWaalsContact O-CB 3.3Å; D780-T784 WeakPolarHBondContact O-CB 3.37Å; D780-T784 PolarHBondContact O-N 3.08Å; D780-T784 PolarHBondContact O-OG1 3.29Å; E781-T784 PolarHBondContact O-N 3.05Å; T784-R787 PolarHBondContact O-N 2.89Å; T784-N788 VanDerWaalsContact O-CG 3.27Å; T784-N788 PolarHBondContact O-N 3.09Å; T784-N788 PolarHBondContact O-ND2 3.39Å |
| 785 | N | 82.5 | Confident | 77.7 | Confident | 83 Ų | 83 | 106.1 Ų | 106.1 | 44% | 0.444 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -45.7 | 178.6 | -74.3 | -19.1 | 0 | 0 | 0 | 112.2 | E781 R787 N788 E789 | E781-N785 WeakPolarHBondContact O-CB 3.33Å; E781-N785 VanDerWaalsContact O-CG 3.26Å; E781-N785 PolarHBondContact O-N 3.48Å; E781-N785 PolarHBondContact O-ND2 3.38Å; N785-R787 VanDerWaalsContact C-N 3.28Å; N785-R787 PolarHBondContact O-N 3Å; N785-N788 PolarHBondContact O-N 2.76Å; N785-N788 VanDerWaalsContact O-N 3.17Å; N785-E789 WeakPolarHBondContact O-CG 3.46Å; N785-E789 PolarHBondContact O-N 3.36Å |
| 786 | R | 85.8 | Confident | 79.7 | Confident | 161 Ų | 161 | 110.1 Ų | 110.1 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63 | -33.7 | 175.1 | -68.7 | -176.5 | -153.5 | -173.6 | 9.1 | 113 | Q782 A790 | Q782-R786 WeakPolarHBondContact O-CG 3.37Å; Q782-R786 PolarHBondContact O-N 2.6Å; R786-A790 WeakPolarHBondContact O-CB 3.48Å; R786-A790 PolarHBondContact O-N 2.95Å |
| 787 | R | 86.8 | Confident | 81.6 | Confident | 200 Ų | 200 | 108.5 Ų | 108.5 | 76% | 0.755 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.8 | -37.1 | 175.8 | -168.5 | 173.6 | -171.3 | 152.8 | 4.2 | 111.9 | V783 T784 N785 A791 | V783-R787 WeakPolarHBondContact O-CB 3.43Å; V783-R787 PolarHBondContact O-N 3.25Å; T784-R787 PolarHBondContact O-N 2.89Å; N785-R787 VanDerWaalsContact C-N 3.28Å; N785-R787 PolarHBondContact O-N 3Å; R787-A791 PolarHBondContact O-N 3.15Å; R787-A791 VanDerWaalsContact O-N 3.11Å |
| 788 | N | 87 | Confident | 83 | Confident | 83 Ų | 83 | 105.6 Ų | 105.6 | 44% | 0.444 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.6 | -43.8 | 174.6 | -67.1 | -16.5 | 0 | 0 | 0 | 111.5 | T784 N785 A790 A791 I792 | T784-N788 VanDerWaalsContact O-CG 3.27Å; T784-N788 PolarHBondContact O-N 3.09Å; T784-N788 PolarHBondContact O-ND2 3.39Å; N785-N788 PolarHBondContact O-N 2.76Å; N785-N788 VanDerWaalsContact O-N 3.17Å; N788-A790 VanDerWaalsContact C-N 3.35Å; N788-A790 PolarHBondContact O-N 2.87Å; N788-A791 PolarHBondContact O-N 2.89Å; N788-I792 VanDerWaalsContact O-CG1 3.28Å; N788-I792 WeakPolarHBondContact O-CG1 3.45Å; N788-I792 PolarHBondContact O-N 3.32Å |
| 789 | E | 88.7 | Confident | 84.6 | Confident | 117 Ų | 117 | 106.9 Ų | 106.9 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 173.4 | -73.7 | 171.9 | 164.7 | 0 | 0 | 111.5 | N785 I792 L793 | N785-E789 WeakPolarHBondContact O-CG 3.46Å; N785-E789 PolarHBondContact O-N 3.36Å; E789-I792 PolarHBondContact O-N 2.99Å; E789-L793 WeakPolarHBondContact O-CG 3.4Å; E789-L793 PolarHBondContact O-N 3.07Å |
| 790 | A | 87.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 107.7 Ų | 107.7 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R786 N788 I792 L793 T794 | R786-A790 WeakPolarHBondContact O-CB 3.48Å; R786-A790 PolarHBondContact O-N 2.95Å; N788-A790 VanDerWaalsContact C-N 3.35Å; N788-A790 PolarHBondContact O-N 2.87Å; A790-I792 VanDerWaalsContact C-N 3.33Å; A790-I792 PolarHBondContact O-N 3.39Å; A790-L793 PolarHBondContact O-N 3.13Å; A790-T794 PolarHBondContact O-N 3.07Å; A790-T794 PolarHBondContact O-OG1 2.96Å; A790-T794 VanDerWaalsContact O-OG1 3.1Å |
| 791 | A | 89.1 | Confident | 85.5 | Confident | 60 Ų | 60 | 107.9 Ų | 107.9 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R787 N788 S795 | R787-A791 PolarHBondContact O-N 3.15Å; R787-A791 VanDerWaalsContact O-N 3.11Å; N788-A791 PolarHBondContact O-N 2.89Å; A791-S795 WeakPolarHBondContact O-CB 3.41Å; A791-S795 PolarHBondContact O-N 3.11Å; A791-S795 PolarHBondContact O-OG 3.31Å |
| 792 | I | 88.7 | Confident | 85.6 | Confident | 111 Ų | 111 | 108.7 Ų | 108.7 | 57% | 0.569 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 175.3 | -68.7 | 164.5 | 0 | 0 | 0 | 110.7 | N788 E789 A790 S795 Y796 | N788-I792 VanDerWaalsContact O-CG1 3.28Å; N788-I792 WeakPolarHBondContact O-CG1 3.45Å; N788-I792 PolarHBondContact O-N 3.32Å; E789-I792 PolarHBondContact O-N 2.99Å; A790-I792 VanDerWaalsContact C-N 3.33Å; A790-I792 PolarHBondContact O-N 3.39Å; I792-S795 WeakPolarHBondContact CA-OG 3.43Å; I792-S795 PolarHBondContact O-N 3.34Å; I792-S795 PolarHBondContact O-OG 2.87Å; I792-Y796 WeakPolarHBondContact O-CB 3.45Å; I792-Y796 PolarHBondContact O-N 3.48Å |
| 793 | L | 89.1 | Confident | 85.6 | Confident | 121 Ų | 121 | 107.7 Ų | 107.7 | 63% | 0.634 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.4 | -48.3 | 176.2 | -72 | 168.9 | 0 | 0 | 0 | 112.3 | E789 A790 S795 Y796 E797 | E789-L793 WeakPolarHBondContact O-CG 3.4Å; E789-L793 PolarHBondContact O-N 3.07Å; A790-L793 PolarHBondContact O-N 3.13Å; L793-S795 VanDerWaalsContact C-N 3.35Å; L793-S795 PolarHBondContact O-N 2.92Å; L793-Y796 PolarHBondContact O-N 3.15Å; L793-E797 PolarHBondContact O-N 3.4Å |
| 794 | T | 89.4 | Confident | 84.9 | Confident | 89 Ų | 89 | 108.9 Ų | 108.9 | 55% | 0.546 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -39.7 | 178.5 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | A790 E797 H798 | A790-T794 PolarHBondContact O-N 3.07Å; A790-T794 PolarHBondContact O-OG1 2.96Å; A790-T794 VanDerWaalsContact O-OG1 3.1Å; T794-E797 PolarHBondContact O-N 2.94Å; T794-H798 WeakPolarHBondContact O-CB 3.41Å; T794-H798 PolarHBondContact O-N 3.48Å |
| 795 | S | 89.1 | Confident | 84 | Confident | 63 Ų | 63 | 111.9 Ų | 111.9 | 44% | 0.441 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69 | -33.7 | 176.2 | 60 | 0 | 0 | 0 | 0 | 113.2 | A791 I792 L793 L799 | A791-S795 WeakPolarHBondContact O-CB 3.41Å; A791-S795 PolarHBondContact O-N 3.11Å; A791-S795 PolarHBondContact O-OG 3.31Å; I792-S795 WeakPolarHBondContact CA-OG 3.43Å; I792-S795 PolarHBondContact O-N 3.34Å; I792-S795 PolarHBondContact O-OG 2.87Å; L793-S795 VanDerWaalsContact C-N 3.35Å; L793-S795 PolarHBondContact O-N 2.92Å; S795-L799 WeakPolarHBondContact O-CD1 3.43Å; S795-L799 PolarHBondContact O-N 2.93Å |
| 796 | Y | 86.8 | Confident | 82.5 | Confident | 152 Ų | 152 | 112.9 Ų | 112.9 | 60% | 0.596 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.7 | -39.4 | 174.5 | -169.6 | -119 | 0 | 0 | 0 | 112 | I792 L793 L799 Q800 | I792-Y796 WeakPolarHBondContact O-CB 3.45Å; I792-Y796 PolarHBondContact O-N 3.48Å; L793-Y796 PolarHBondContact O-N 3.15Å; Y796-L799 PolarHBondContact O-N 3.36Å; Y796-Q800 PolarHBondContact O-N 2.95Å |
| 797 | E | 87.3 | Confident | 81.2 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 52% | 0.523 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -44.2 | 172.7 | -173.4 | 178.3 | 176 | 0 | 0 | 111.5 | L793 T794 L799 Q800 Q801 | L793-E797 PolarHBondContact O-N 3.4Å; T794-E797 PolarHBondContact O-N 2.94Å; E797-L799 VanDerWaalsContact C-N 3.27Å; E797-L799 PolarHBondContact O-N 2.99Å; E797-Q800 PolarHBondContact O-N 3.29Å; E797-Q800 VanDerWaalsContact O-N 3.09Å; E797-Q801 WeakPolarHBondContact O-CG 3.45Å; E797-Q801 PolarHBondContact O-N 3.22Å; E797-Q801 PolarHBondContact OE1-NE2 2.91Å |
| 798 | H | 85.5 | Confident | 80 | Confident | 125 Ų | 125 | 106.4 Ų | 106.4 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.9 | -27.5 | 176.8 | -160.4 | -40.6 | 0 | 0 | 0 | 112.6 | T794 K802 | T794-H798 WeakPolarHBondContact O-CB 3.41Å; T794-H798 PolarHBondContact O-N 3.48Å; H798-K802 WeakPolarHBondContact O-CB 3.47Å; H798-K802 PolarHBondContact O-N 3.03Å |
| 799 | L | 85 | Confident | 78.8 | Confident | 122 Ų | 122 | 110.2 Ų | 110.2 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.4 | -42.6 | 168 | -107.2 | 94.9 | 0 | 0 | 0 | 112 | S795 Y796 E797 K802 A803 | S795-L799 WeakPolarHBondContact O-CD1 3.43Å; S795-L799 PolarHBondContact O-N 2.93Å; Y796-L799 PolarHBondContact O-N 3.36Å; E797-L799 VanDerWaalsContact C-N 3.27Å; E797-L799 PolarHBondContact O-N 2.99Å; L799-K802 PolarHBondContact O-N 3.42Å; L799-A803 WeakPolarHBondContact O-CB 3.36Å; L799-A803 PolarHBondContact O-N 3.31Å |
| 800 | Q | 84.8 | Confident | 77.9 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 48% | 0.477 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.7 | -45.7 | 177.1 | -73.9 | -177.7 | 39.2 | 0 | 0 | 111.7 | Y796 E797 K802 A803 T804 | Y796-Q800 PolarHBondContact O-N 2.95Å; E797-Q800 PolarHBondContact O-N 3.29Å; E797-Q800 VanDerWaalsContact O-N 3.09Å; Q800-K802 VanDerWaalsContact C-N 3.29Å; Q800-K802 PolarHBondContact O-N 3.39Å; Q800-A803 CarbonylContact O-C 3.46Å; Q800-A803 WeakPolarHBondContact O-CA 3.36Å; Q800-A803 PolarHBondContact O-N 2.93Å; Q800-T804 PolarHBondContact O-N 3.02Å; Q800-T804 PolarHBondContact O-OG1 2.84Å |
| 801 | Q | 80.2 | Confident | 77.4 | Confident | 112 Ų | 112 | 114 Ų | 114 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.7 | -43.5 | 176.5 | -69.4 | 179.2 | 12.2 | 0 | 0 | 111.2 | E797 A803 T804 | E797-Q801 WeakPolarHBondContact O-CG 3.45Å; E797-Q801 PolarHBondContact O-N 3.22Å; E797-Q801 PolarHBondContact OE1-NE2 2.91Å; Q801-A803 VanDerWaalsContact C-N 3.29Å; Q801-A803 PolarHBondContact O-N 2.97Å; Q801-T804 PolarHBondContact O-N 3.32Å; Q801-T804 VanDerWaalsContact O-N 3.08Å |
| 802 | K | 83.5 | Confident | 77.2 | Confident | 150 Ų | 150 | 116.5 Ų | 116.5 | 65% | 0.652 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.3 | -19.9 | 175.5 | -171.1 | 164.4 | -174.4 | 172 | 0 | 114.4 | H798 L799 Q800 | H798-K802 WeakPolarHBondContact O-CB 3.47Å; H798-K802 PolarHBondContact O-N 3.03Å; L799-K802 PolarHBondContact O-N 3.42Å; Q800-K802 VanDerWaalsContact C-N 3.29Å; Q800-K802 PolarHBondContact O-N 3.39Å |
| 803 | A | 73.8 | Confident | 76.8 | Confident | 84 Ų | 84 | 116.5 Ų | 116.5 | 69% | 0.694 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L799 Q800 Q801 | L799-A803 WeakPolarHBondContact O-CB 3.36Å; L799-A803 PolarHBondContact O-N 3.31Å; Q800-A803 CarbonylContact O-C 3.46Å; Q800-A803 WeakPolarHBondContact O-CA 3.36Å; Q800-A803 PolarHBondContact O-N 2.93Å; Q801-A803 VanDerWaalsContact C-N 3.29Å; Q801-A803 PolarHBondContact O-N 2.97Å |
| 804 | T | 69.7 | Low | 76.5 | Confident | 116 Ų | 116 | 116.4 Ų | 116.4 | 71% | 0.712 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -113.8 | 9.5 | 178.1 | -39.5 | 0 | 0 | 0 | 0 | 111.9 | Q800 Q801 | Q800-T804 PolarHBondContact O-N 3.02Å; Q800-T804 PolarHBondContact O-OG1 2.84Å; Q801-T804 PolarHBondContact O-N 3.32Å; Q801-T804 VanDerWaalsContact O-N 3.08Å |
| 805 | E | 62.8 | Low | 76.4 | Confident | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -69.1 | 140.9 | 160.5 | -65.3 | -176.7 | 124.7 | 0 | 0 | 108.5 | S807 | E805-S807 PolarHBondContact O-N 3.47Š|
| 806 | P | 51.4 | Low | 76.1 | Confident | 103 Ų | 103 | 120.2 Ų | 120.2 | 67% | 0.669 | 60% | 0.604 | S | S | * | * | | | trans | -65.3 | 122.4 | -166.1 | 25 | -34.5 | 0 | 0 | 0 | 112.4 | | |
| 807 | S | 58.4 | Low | 76.2 | Confident | 73 Ų | 73 | 118 Ų | 118 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -77.2 | -25.7 | -178.3 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | E805 Q809 K810 D811 | E805-S807 PolarHBondContact O-N 3.47Å; S807-Q809 VanDerWaalsContact C-N 3.28Å; S807-Q809 PolarHBondContact O-N 3.16Å; S807-Q809 VanDerWaalsContact O-N 3.15Å; S807-K810 WeakPolarHBondContact O-CA 3.5Å; S807-K810 VanDerWaalsContact O-CB 3.29Å; S807-K810 WeakPolarHBondContact O-CB 3.34Å; S807-K810 PolarHBondContact O-N 3.33Å; S807-D811 PolarHBondContact O-N 2.95Å; S807-D811 PolarHBondContact OG-OD2 3.03Å |
| 808 | E | 61.6 | Low | 76 | Confident | 152 Ų | 152 | 118.4 Ų | 118.4 | 71% | 0.71 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -50.4 | -44.7 | -172.7 | -61.1 | 173.3 | 150.8 | 0 | 0 | 112.4 | K810 D811 D812 | E808-K810 PolarHBondContact O-N 3.28Å; E808-K810 VanDerWaalsContact O-N 3.1Å; E808-D811 PolarHBondContact O-N 3.14Å; E808-D812 PolarHBondContact O-N 3.03Å |
| 809 | Q | 61.8 | Low | 76.1 | Confident | 164 Ų | 164 | 117.8 Ų | 117.8 | 77% | 0.766 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.6 | -11.9 | 179.7 | -163.9 | 173.4 | 24.3 | 0 | 0 | 114.1 | S807 | S807-Q809 VanDerWaalsContact C-N 3.28Å; S807-Q809 PolarHBondContact O-N 3.16Å; S807-Q809 VanDerWaalsContact O-N 3.15Å |
| 810 | K | 69.8 | Low | 76.3 | Confident | 149 Ų | 149 | 116.7 Ų | 116.7 | 65% | 0.648 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -100.3 | -35.6 | -179.9 | -160.7 | 174.7 | -173.2 | 177.9 | 0 | 112.3 | S807 E808 D812 Q813 E814 | S807-K810 WeakPolarHBondContact O-CA 3.5Å; S807-K810 VanDerWaalsContact O-CB 3.29Å; S807-K810 WeakPolarHBondContact O-CB 3.34Å; S807-K810 PolarHBondContact O-N 3.33Å; E808-K810 PolarHBondContact O-N 3.28Å; E808-K810 VanDerWaalsContact O-N 3.1Å; K810-D812 VanDerWaalsContact C-N 3.3Å; K810-Q813 PolarHBondContact O-N 2.78Å; K810-E814 PolarHBondContact O-N 3.32Å |
| 811 | D | 78.5 | Confident | 76.5 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.6 | -40 | 172.9 | -58.1 | -41.4 | 0 | 0 | 0 | 109.9 | S807 E808 Q813 E814 L815 | S807-D811 PolarHBondContact O-N 2.95Å; S807-D811 PolarHBondContact OG-OD2 3.03Å; E808-D811 PolarHBondContact O-N 3.14Å; D811-Q813 VanDerWaalsContact C-N 3.34Å; D811-Q813 PolarHBondContact O-N 3.25Å; D811-E814 PolarHBondContact O-N 3.38Å; D811-L815 WeakPolarHBondContact O-CB 3.33Å; D811-L815 PolarHBondContact O-N 3.12Å |
| 812 | D | 84.5 | Confident | 76.8 | Confident | 113 Ų | 113 | 116.7 Ų | 116.7 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58 | -39.9 | 170.6 | -78.8 | -17.2 | 0 | 0 | 0 | 113.2 | E808 K810 Q816 | E808-D812 PolarHBondContact O-N 3.03Å; K810-D812 VanDerWaalsContact C-N 3.3Å; D812-Q816 PolarHBondContact O-N 3.28Å; D812-Q816 VanDerWaalsContact O-N 3.08Å |
| 813 | Q | 79.6 | Confident | 77 | Confident | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.9 | -44 | 178.4 | -177.7 | 178 | -19.5 | 0 | 0 | 111.3 | K810 D811 L815 Q816 E817 | K810-Q813 PolarHBondContact O-N 2.78Å; D811-Q813 VanDerWaalsContact C-N 3.34Å; D811-Q813 PolarHBondContact O-N 3.25Å; Q813-L815 VanDerWaalsContact C-N 3.29Å; Q813-L815 PolarHBondContact O-N 3.4Å; Q813-Q816 PolarHBondContact O-N 3.18Å; Q813-E817 WeakPolarHBondContact CG-OE1 3.28Å; Q813-E817 PolarHBondContact NE2-OE1 3.19Å; Q813-E817 WeakPolarHBondContact O-CG 3.38Å; Q813-E817 PolarHBondContact O-N 3.35Å |
| 814 | E | 83.7 | Confident | 77.6 | Confident | 119 Ų | 119 | 116.3 Ų | 116.3 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.2 | -31.8 | 179.2 | -165.5 | 163.7 | 165.1 | 0 | 0 | 111.5 | K810 D811 Q818 | K810-E814 PolarHBondContact O-N 3.32Å; D811-E814 PolarHBondContact O-N 3.38Å; E814-Q818 WeakPolarHBondContact O-CG 3.41Å; E814-Q818 PolarHBondContact O-N 3.26Å |
| 815 | L | 86.4 | Confident | 78.4 | Confident | 107 Ų | 107 | 117.2 Ų | 117.2 | 56% | 0.56 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.1 | -44.2 | 171.8 | -166 | 73.7 | 0 | 0 | 0 | 112.2 | D811 Q813 Q818 Q819 | D811-L815 WeakPolarHBondContact O-CB 3.33Å; D811-L815 PolarHBondContact O-N 3.12Å; Q813-L815 VanDerWaalsContact C-N 3.29Å; Q813-L815 PolarHBondContact O-N 3.4Å; L815-Q818 PolarHBondContact O-N 3.23Å; L815-Q819 PolarHBondContact O-N 3.16Å |
| 816 | Q | 83.2 | Confident | 79.4 | Confident | 125 Ų | 125 | 114.1 Ų | 114.1 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.2 | -33.3 | 177.3 | -176.5 | 158.6 | 67.7 | 0 | 0 | 112.3 | D812 Q813 N820 | D812-Q816 PolarHBondContact O-N 3.28Å; D812-Q816 VanDerWaalsContact O-N 3.08Å; Q813-Q816 PolarHBondContact O-N 3.18Å; Q816-N820 PolarHBondContact O-N 3.38Å; Q816-N820 PolarHBondContact O-ND2 3.1Å |
| 817 | E | 88.1 | Confident | 80.7 | Confident | 106 Ų | 106 | 114.9 Ų | 114.9 | 50% | 0.495 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -38.4 | 171 | -75.9 | 179 | -153.8 | 0 | 0 | 111.6 | Q813 N820 V821 | Q813-E817 WeakPolarHBondContact CG-OE1 3.28Å; Q813-E817 PolarHBondContact NE2-OE1 3.19Å; Q813-E817 WeakPolarHBondContact O-CG 3.38Å; Q813-E817 PolarHBondContact O-N 3.35Å; E817-N820 PolarHBondContact O-N 3.45Å; E817-V821 WeakPolarHBondContact O-CG2 3.26Å; E817-V821 PolarHBondContact O-N 3.46Å; E817-V821 VanDerWaalsContact O-N 3.15Å |
| 818 | Q | 84.7 | Confident | 81.6 | Confident | 119 Ų | 119 | 116.6 Ų | 116.6 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65 | -45.9 | 174.7 | -74.8 | 176.5 | 44.6 | 0 | 0 | 113 | E814 L815 N820 V821 E822 | E814-Q818 WeakPolarHBondContact O-CG 3.41Å; E814-Q818 PolarHBondContact O-N 3.26Å; L815-Q818 PolarHBondContact O-N 3.23Å; Q818-N820 VanDerWaalsContact C-N 3.26Å; Q818-N820 PolarHBondContact O-N 2.99Å; Q818-V821 PolarHBondContact O-N 3.11Å; Q818-V821 VanDerWaalsContact O-N 3.09Å; Q818-E822 PolarHBondContact O-N 3.06Å |
| 819 | Q | 86.3 | Confident | 82.4 | Confident | 113 Ų | 113 | 115.1 Ų | 115.1 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.8 | -37.3 | 175.5 | -75.4 | -169.1 | -37.6 | 0 | 0 | 112.8 | L815 E822 Q823 | L815-Q819 PolarHBondContact O-N 3.16Å; Q819-E822 PolarHBondContact O-N 3.34Å; Q819-Q823 WeakPolarHBondContact O-CG 3.45Å; Q819-Q823 PolarHBondContact O-N 3.43Å; Q819-Q823 VanDerWaalsContact O-N 3.08Å |
| 820 | N | 89.1 | Confident | 83 | Confident | 98 Ų | 98 | 113.8 Ų | 113.8 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.8 | -34.2 | 176.5 | -77.4 | -57.1 | 0 | 0 | 0 | 112.6 | Q816 E817 Q818 L824 | Q816-N820 PolarHBondContact O-N 3.38Å; Q816-N820 PolarHBondContact O-ND2 3.1Å; E817-N820 PolarHBondContact O-N 3.45Å; Q818-N820 VanDerWaalsContact C-N 3.26Å; Q818-N820 PolarHBondContact O-N 2.99Å; N820-L824 WeakPolarHBondContact O-CB 3.36Å; N820-L824 PolarHBondContact O-N 2.93Å |
| 821 | V | 89.3 | Confident | 83.1 | Confident | 91 Ų | 91 | 113.5 Ų | 113.5 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.7 | -46.1 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | E817 Q818 Q823 L824 E825 | E817-V821 WeakPolarHBondContact O-CG2 3.26Å; E817-V821 PolarHBondContact O-N 3.46Å; E817-V821 VanDerWaalsContact O-N 3.15Å; Q818-V821 PolarHBondContact O-N 3.11Å; Q818-V821 VanDerWaalsContact O-N 3.09Å; V821-Q823 PolarHBondContact O-N 2.85Å; V821-L824 PolarHBondContact O-N 3.44Å; V821-E825 PolarHBondContact O-N 2.91Å |
| 822 | E | 87.2 | Confident | 82.5 | Confident | 123 Ų | 123 | 114.1 Ų | 114.1 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.6 | -40.4 | -179.9 | -173.2 | 173.7 | -160.5 | 0 | 0 | 112.3 | Q818 Q819 L824 N826 | Q818-E822 PolarHBondContact O-N 3.06Å; Q819-E822 PolarHBondContact O-N 3.34Å; E822-L824 VanDerWaalsContact C-N 3.28Å; E822-L824 PolarHBondContact O-N 3.39Å; E822-N826 WeakPolarHBondContact O-CB 3.38Å; E822-N826 PolarHBondContact O-N 3.19Å; E822-N826 PolarHBondContact O-ND2 3.06Å |
| 823 | Q | 86.1 | Confident | 81.4 | Confident | 114 Ų | 114 | 116.4 Ų | 116.4 | 53% | 0.533 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.5 | -24.7 | 173.2 | -73.4 | -167.3 | 14.2 | 0 | 0 | 114 | Q819 V821 Q827 | Q819-Q823 WeakPolarHBondContact O-CG 3.45Å; Q819-Q823 PolarHBondContact O-N 3.43Å; Q819-Q823 VanDerWaalsContact O-N 3.08Å; V821-Q823 PolarHBondContact O-N 2.85Å; Q823-Q827 WeakPolarHBondContact O-CB 3.07Å; Q823-Q827 WeakPolarHBondContact O-CG 3.31Å; Q823-Q827 PolarHBondContact O-N 3.17Å; Q823-Q827 PolarHBondContact O-NE2 2.93Å |
| 824 | L | 88.2 | Confident | 80.3 | Confident | 112 Ų | 112 | 116.8 Ų | 116.8 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -84.4 | -39.4 | 179.4 | -161 | 153.1 | 0 | 0 | 0 | 110.9 | N820 V821 E822 Q827 Q828 | N820-L824 WeakPolarHBondContact O-CB 3.36Å; N820-L824 PolarHBondContact O-N 2.93Å; V821-L824 PolarHBondContact O-N 3.44Å; E822-L824 VanDerWaalsContact C-N 3.28Å; E822-L824 PolarHBondContact O-N 3.39Å; L824-Q827 PolarHBondContact O-N 3.37Å; L824-Q828 PolarHBondContact O-N 3.47Å |
| 825 | E | 85.6 | Confident | 78.6 | Confident | 136 Ų | 136 | 118.7 Ų | 118.7 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.9 | -47.8 | 171.7 | -167.7 | 156.9 | -146.2 | 0 | 0 | 110.7 | V821 Q827 Q828 E829 | V821-E825 PolarHBondContact O-N 2.91Å; E825-Q827 PolarHBondContact O-N 2.96Å; E825-Q827 VanDerWaalsContact O-N 3.16Å; E825-Q828 PolarHBondContact O-N 3.17Å; E825-E829 PolarHBondContact O-N 3.18Å |
| 826 | N | 84 | Confident | 76.5 | Confident | 70 Ų | 70 | 120 Ų | 120 | 37% | 0.374 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58 | -27.7 | 172.2 | -89.2 | -92 | 0 | 0 | 0 | 114.2 | E822 K830 | E822-N826 WeakPolarHBondContact O-CB 3.38Å; E822-N826 PolarHBondContact O-N 3.19Å; E822-N826 PolarHBondContact O-ND2 3.06Å; N826-K830 WeakPolarHBondContact O-CD 3.46Å; N826-K830 VanDerWaalsContact O-CG 3.31Å; N826-K830 WeakPolarHBondContact O-CG 3.18Å |
| 827 | Q | 79.4 | Confident | 74.8 | Confident | 120 Ų | 120 | 123.5 Ų | 123.5 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -87 | -16.2 | 175.3 | -86.5 | -175.7 | 83.5 | 0 | 0 | 113.9 | Q823 L824 E825 | Q823-Q827 WeakPolarHBondContact O-CB 3.07Å; Q823-Q827 WeakPolarHBondContact O-CG 3.31Å; Q823-Q827 PolarHBondContact O-N 3.17Å; Q823-Q827 PolarHBondContact O-NE2 2.93Å; L824-Q827 PolarHBondContact O-N 3.37Å; E825-Q827 PolarHBondContact O-N 2.96Å; E825-Q827 VanDerWaalsContact O-N 3.16Å |
| 828 | Q | 77.4 | Confident | 73.1 | Confident | 109 Ų | 109 | 127.3 Ų | 127.3 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -89.8 | -41.5 | 173.8 | -176 | 157.1 | -17.9 | 0 | 0 | 111 | L824 E825 K830 K831 D832 | L824-Q828 PolarHBondContact O-N 3.47Å; E825-Q828 PolarHBondContact O-N 3.17Å; Q828-K830 VanDerWaalsContact C-N 3.32Å; Q828-K830 PolarHBondContact O-N 2.89Å; Q828-K831 WeakPolarHBondContact O-CA 3.45Å; Q828-K831 WeakPolarHBondContact O-CB 3.37Å; Q828-K831 PolarHBondContact O-N 3.07Å; Q828-D832 PolarHBondContact O-N 3.21Å |
| 829 | E | 76.5 | Confident | 71.7 | Confident | 121 Ų | 121 | 127.1 Ų | 127.1 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -56.7 | -45.7 | 173 | -166.7 | 165.5 | -131.4 | 0 | 0 | 111 | E825 K831 D832 E833 | E825-E829 PolarHBondContact O-N 3.18Å; E829-K831 PolarHBondContact O-N 2.93Å; E829-K831 VanDerWaalsContact O-N 3.11Å; E829-D832 PolarHBondContact O-N 2.96Å; E829-E833 WeakPolarHBondContact O-CB 3.31Å; E829-E833 WeakPolarHBondContact O-CG 3.34Å; E829-E833 PolarHBondContact O-N 3.21Å |
| 830 | K | 75.5 | Confident | 69.6 | Low | 136 Ų | 136 | 131.1 Ų | 131.1 | 59% | 0.591 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.3 | -15.1 | 173.3 | -73 | 174.1 | -175.8 | 167.3 | 0 | 115.3 | N826 Q828 T834 | N826-K830 WeakPolarHBondContact O-CD 3.46Å; N826-K830 VanDerWaalsContact O-CG 3.31Å; N826-K830 WeakPolarHBondContact O-CG 3.18Å; Q828-K830 VanDerWaalsContact C-N 3.32Å; Q828-K830 PolarHBondContact O-N 2.89Å; K830-T834 PolarHBondContact O-OG1 3.38Å |
| 831 | K | 71.6 | Confident | 67.7 | Low | 143 Ų | 143 | 135.8 Ų | 135.8 | 62% | 0.622 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -89.4 | -46 | 170.8 | -77.1 | 171.3 | -178.1 | 157.9 | 0 | 111 | Q828 E829 E833 T834 | Q828-K831 WeakPolarHBondContact O-CA 3.45Å; Q828-K831 WeakPolarHBondContact O-CB 3.37Å; Q828-K831 PolarHBondContact O-N 3.07Å; E829-K831 PolarHBondContact O-N 2.93Å; E829-K831 VanDerWaalsContact O-N 3.11Å; K831-E833 VanDerWaalsContact C-N 3.3Å; K831-E833 PolarHBondContact O-N 3.1Å; K831-T834 PolarHBondContact O-N 3.01Å |
| 832 | D | 66.4 | Low | 65.4 | Low | 109 Ų | 109 | 140.9 Ų | 140.9 | 58% | 0.583 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.5 | -27.1 | -178 | -66.3 | -23.9 | 0 | 0 | 0 | 111.7 | Q828 E829 T834 | Q828-D832 PolarHBondContact O-N 3.21Å; E829-D832 PolarHBondContact O-N 2.96Å; D832-T834 VanDerWaalsContact C-N 3.32Å; D832-T834 PolarHBondContact O-N 2.98Å |
| 833 | E | 61.2 | Low | 63.3 | Low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -20.3 | 168.1 | -75.1 | -163.4 | 132.3 | 0 | 0 | 114.3 | E829 K831 | E829-E833 WeakPolarHBondContact O-CB 3.31Å; E829-E833 WeakPolarHBondContact O-CG 3.34Å; E829-E833 PolarHBondContact O-N 3.21Å; K831-E833 VanDerWaalsContact C-N 3.3Å; K831-E833 PolarHBondContact O-N 3.1Å |
| 834 | T | 57.3 | Low | 61 | Low | 121 Ų | 121 | 142.8 Ų | 142.8 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -5.8 | -176.4 | -53.5 | 0 | 0 | 0 | 0 | 112.6 | K830 K831 D832 | K830-T834 PolarHBondContact O-OG1 3.38Å; K831-T834 PolarHBondContact O-N 3.01Å; D832-T834 VanDerWaalsContact C-N 3.32Å; D832-T834 PolarHBondContact O-N 2.98Å |
| 835 | E | 47.2 | Very low | 58.9 | Low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -131.5 | 120.6 | -177.2 | -154.5 | 171.3 | -175.5 | 0 | 0 | 112.7 | | |
| 836 | T | 41.7 | Very low | 56.6 | Low | 135 Ų | 135 | 146.9 Ų | 146.9 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | | | trans | 97.2 | 60.8 | 172.6 | -34.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 837 | E | 48.1 | Very low | 54.6 | Low | 198 Ų | 198 | 152.5 Ų | 152.5 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | | | trans | -124.7 | 135.1 | 136.4 | -160.8 | 174.7 | -137.3 | 0 | 0 | 110.6 | | |
| 838 | K | 51.5 | Low | 52.9 | Low | 185 Ų | 185 | 151.7 Ų | 151.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -141.9 | 106.3 | -167.4 | -176.3 | -178.8 | -179.5 | -178.7 | 0 | 109.7 | E840 | K838-E840 PolarHBondContact O-N 3.03Š|
| 839 | P | 55 | Low | 51.2 | Low | 116 Ų | 116 | 153.3 Ų | 153.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -72 | 119.5 | -167.2 | 26.4 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 840 | E | 43.6 | Very low | 49.8 | Very low | 196 Ų | 196 | 155 Ų | 155 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | | | trans | -77.8 | 116.5 | 164.6 | -63.9 | -167.9 | 139.5 | 0 | 0 | 109.6 | K838 | K838-E840 PolarHBondContact O-N 3.03Š|
| 841 | K | 48 | Very low | 48.4 | Very low | 197 Ų | 197 | 158.2 Ų | 158.2 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -130.3 | 96.5 | 163.9 | -82.4 | -167.5 | 173.6 | -177.8 | 0 | 110.4 | N843 | K841-N843 PolarHBondContact O-N 3.4Š|
| 842 | E | 41.1 | Very low | 47.4 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -84.1 | 102.8 | 173.1 | -179.5 | -178.5 | -154.1 | 0 | 0 | 110.4 | | |
| 843 | N | 44 | Very low | 46.5 | Very low | 145 Ų | 145 | 163.6 Ų | 163.6 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | | | trans | -159.2 | 116.6 | 150.4 | -154.4 | -18.7 | 0 | 0 | 0 | 111.9 | K841 | K841-N843 PolarHBondContact O-N 3.4Š|
| 844 | T | 38 | Very low | 45.9 | Very low | 132 Ų | 132 | 162.4 Ų | 162.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -155.3 | 114.2 | 163.9 | -42.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 845 | N | 43.3 | Very low | 45.3 | Very low | 145 Ų | 145 | 162.5 Ų | 162.5 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | -167.4 | 95.6 | 162.5 | -106.4 | -45.8 | 0 | 0 | 0 | 111.8 | | |
| 846 | Q | 38.2 | Very low | 45.3 | Very low | 190 Ų | 190 | 164 Ų | 164 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | | -170.8 | 147.7 | 101.5 | -100.4 | 173.3 | 39.1 | 0 | 0 | 114.4 | | |
| 847 | E | 42.1 | Very low | 45.3 | Very low | 188 Ų | 188 | 161.2 Ų | 161.2 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -65.3 | 173.6 | -172.3 | -91.9 | -161.1 | 104.4 | 0 | 0 | 117.1 | | |
| 848 | P | 43.6 | Very low | 45.3 | Very low | 103 Ų | 103 | 161.4 Ų | 161.4 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | | | trans | -111.7 | -173.5 | -154.9 | 43.2 | -35.5 | 0 | 0 | 0 | 114 | | |
| 849 | E | 41.2 | Very low | 44.9 | Very low | 143 Ų | 143 | 161.7 Ų | 161.7 | 67% | 0.668 | 82% | 0.817 | S | S | * | * | | | | 174 | 143.9 | 119.7 | -95.8 | -164.5 | 137 | 0 | 0 | 113.8 | | |
| 850 | K | 47 | Very low | 44.7 | Very low | 157 Ų | 157 | 161.4 Ų | 161.4 | 68% | 0.683 | 82% | 0.815 | S | S | * | * | | | trans | 61.3 | 107.3 | 149.5 | -65.5 | 159.1 | -172.4 | 149.8 | 0 | 119.6 | | |
| 851 | E | 45.4 | Very low | 44.9 | Very low | 202 Ų | 202 | 161.6 Ų | 161.6 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | | | trans | -66.8 | 126.7 | 147.3 | -63.1 | -175 | 120.1 | 0 | 0 | 110.5 | | |
| 852 | E | 51 | Low | 44.5 | Very low | 168 Ų | 168 | 162 Ų | 162 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -97.5 | 110.1 | 166.8 | -71.8 | -161.7 | 138.4 | 0 | 0 | 110.5 | N854 | E852-N854 PolarHBondContact O-N 3.38Š|
| 853 | E | 49 | Very low | 44.8 | Very low | 198 Ų | 198 | 156.8 Ų | 156.8 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -65.4 | 94.5 | 169.6 | -170.8 | -169.9 | 170.8 | 0 | 0 | 110.3 | | |
| 854 | N | 47.9 | Very low | 45 | Very low | 136 Ų | 136 | 158.6 Ų | 158.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | -74.1 | 120.5 | 166 | -94.8 | -80.7 | 0 | 0 | 0 | 110.1 | E852 | E852-N854 PolarHBondContact O-N 3.38Š|
| 855 | V | 45 | Very low | 45.2 | Very low | 123 Ų | 123 | 161 Ų | 161 | 75% | 0.745 | 81% | 0.814 | S | S | * | * | | | | -169.3 | 110 | 129.6 | 138.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 856 | E | 47 | Very low | 45.2 | Very low | 191 Ų | 191 | 161.6 Ų | 161.6 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | | | trans | 42.6 | 132.3 | 130.7 | -156.4 | 172.6 | -144.3 | 0 | 0 | 121.8 | | |
| 857 | G | 42.2 | Very low | 45.3 | Very low | 75 Ų | 75 | 159.6 Ų | 159.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | 154.3 | 127.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 858 | E | 47.5 | Very low | 45.4 | Very low | 202 Ų | 202 | 156.5 Ų | 156.5 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | 136.2 | -176 | -72.4 | -174.3 | 94.6 | 0 | 0 | 116.3 | | |
| 859 | K | 43.3 | Very low | 45.1 | Very low | 192 Ų | 192 | 157.8 Ų | 157.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -76.3 | 150.6 | 159.9 | 162 | -161.8 | 177.6 | -179.3 | 0 | 110.8 | | |
| 860 | P | 49.6 | Very low | 45.3 | Very low | 109 Ų | 109 | 156.4 Ų | 156.4 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | | | cis | -137.3 | 171.6 | -22.9 | 39.5 | -22.9 | 0 | 0 | 0 | 114.1 | | |
| 861 | E | 48.5 | Very low | 45.1 | Very low | 200 Ų | 200 | 156.8 Ų | 156.8 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | -145.8 | 157.3 | 147.2 | -150.3 | 161.3 | -144 | 0 | 0 | 113.8 | | |
| 862 | K | 40.2 | Very low | 44.9 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -144.6 | 99.7 | -170.9 | -148.8 | -169.7 | -164.7 | -174.5 | 0 | 110.7 | | |
| 863 | A | 46.8 | Very low | 44.6 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -162 | 142.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 864 | E | 47.5 | Very low | 44 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | 58.9 | 81.1 | 141.7 | -65.1 | 175.5 | -168.8 | 0 | 0 | 120.1 | | |
| 865 | E | 43.4 | Very low | 43.5 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | | 32 | 135.2 | 116.4 | -60.4 | -174.6 | 148.3 | 0 | 0 | 121.6 | | |
| 866 | E | 42.6 | Very low | 43.2 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 64 | 129.1 | 158.3 | -66.8 | -163.5 | 140.8 | 0 | 0 | 117.4 | | |
| 867 | K | 41.5 | Very low | 42.7 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | cis | -176.5 | 170.8 | 46.9 | -136.5 | 177.3 | -161 | 80.1 | 0 | 113 | | |
| 868 | T | 43 | Very low | 42.8 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 64.9 | 91.8 | 153.9 | 45.6 | 0 | 0 | 0 | 0 | 121 | | |
| 869 | T | 37.1 | Very low | 42.8 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | | -48.1 | 175.4 | 129.4 | 29.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 870 | P | 46.3 | Very low | 42.4 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | cis | -137.8 | -167.6 | -19.4 | 30.1 | -7.1 | 0 | 0 | 0 | 114.1 | | |
| 871 | K | 41.4 | Very low | 42.1 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 105.4 | 111 | 132.9 | -151.4 | 168 | -175 | 163.4 | 0 | 119.4 | | |
| 872 | E | 41.4 | Very low | 42.1 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | | 31 | 158.6 | 113.2 | -97.9 | -174.7 | 145.3 | 0 | 0 | 120.7 | | |
| 873 | P | 45.8 | Very low | 41.7 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 58% | 0.578 | 73% | 0.731 | S | S | * | * | | | cis | -142.5 | -166.1 | -6.2 | 40.6 | -19.4 | 0 | 0 | 0 | 115 | | |
| 874 | E | 36.8 | Very low | 41.4 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | 68.6 | 125.1 | 142.4 | -81.4 | -179.1 | 129.5 | 0 | 0 | 123.9 | | |
| 875 | Q | 36.1 | Very low | 41.1 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | | | | 91.8 | 133.4 | 125.3 | -77.5 | -177 | 30 | 0 | 0 | 123.7 | | |
| 876 | E | 38.5 | Very low | 41.6 | Very low | 136 Ų | 136 | 139 Ų | 139 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | 65.4 | 106.3 | 148.4 | -64.4 | -155.8 | 119 | 0 | 0 | 122.3 | | |
| 877 | K | 37.8 | Very low | 41.6 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | | | | 59.5 | 129.4 | 120 | -64.1 | 169.5 | -175.6 | 158.3 | 0 | 120.3 | | |
| 878 | E | 44 | Very low | 41.8 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | | | trans | 42 | 134.9 | 134.9 | -75.4 | -173.9 | 142.4 | 0 | 0 | 120.2 | | |
| 879 | P | 47.7 | Very low | 41.7 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | | | | -151.3 | -177.3 | 70 | 42.4 | -23.3 | 0 | 0 | 0 | 118.1 | | |
| 880 | E | 34.9 | Very low | 41.9 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | | | trans | -38.7 | 150.2 | 169.7 | -51.1 | 162.3 | 110.9 | 0 | 0 | 117.4 | | |
| 881 | E | 42.7 | Very low | 41.9 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 67% | 0.673 | 71% | 0.712 | S | S | * | * | | | trans | 60.6 | 143.2 | 145.7 | -93.8 | -162 | -175.4 | 0 | 0 | 120.6 | Q883 | E881-Q883 WeakPolarHBondContact OE2-CG 3.41Å; E881-Q883 PolarHBondContact OE2-NE2 3.04Å |
| 882 | P | 48.1 | Very low | 42 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | | | | -151.5 | 131.4 | 69.6 | 37.2 | -15.3 | 0 | 0 | 0 | 119 | | |
| 883 | Q | 31.8 | Very low | 42.3 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | | | | 41.3 | 142.4 | 117.4 | -78.8 | -177.4 | 37.2 | 0 | 0 | 124.7 | E881 | E881-Q883 WeakPolarHBondContact OE2-CG 3.41Å; E881-Q883 PolarHBondContact OE2-NE2 3.04Å |
| 884 | N | 40.3 | Very low | 42.3 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | | | trans | 86.7 | 94.6 | 141.9 | -65.2 | -28.1 | 0 | 0 | 0 | 121.8 | | |
| 885 | T | 41.5 | Very low | 42.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | | | | 32.9 | 137.9 | 111.7 | 65 | 0 | 0 | 0 | 0 | 120.4 | | |
| 886 | P | 53.8 | Low | 43.1 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | | | | -146.4 | 169.8 | 101.9 | 37.4 | -23.3 | 0 | 0 | 0 | 115.1 | | |
| 887 | N | 43.5 | Very low | 43.3 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | | | cis | 174.3 | 138.2 | -24 | 173.4 | 60.4 | 0 | 0 | 0 | 109.4 | | |
| 888 | E | 44.9 | Very low | 43.6 | Very low | 145 Ų | 145 | 136 Ų | 136 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | | | trans | 64.3 | 156.4 | 165.2 | -77.8 | 179.5 | 122.8 | 0 | 0 | 118.1 | | |
| 889 | Q | 41.2 | Very low | 43.6 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | cis | -162 | 136.9 | 8.9 | -134.3 | 165.8 | 36.9 | 0 | 0 | 113.2 | | |
| 890 | T | 41.8 | Very low | 43.3 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | | | trans | 59.1 | 154.9 | 151.5 | 38.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 891 | E | 46.3 | Very low | 43.7 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | cis | -154.7 | 143.1 | 7.1 | -140.6 | 169.3 | -152.9 | 0 | 0 | 111.4 | | |
| 892 | N | 43.4 | Very low | 44.3 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | | | trans | 33.3 | 126.4 | 160.1 | -51.2 | -23.3 | 0 | 0 | 0 | 120.5 | | |
| 893 | G | 47.5 | Very low | 43.9 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | | | cis | 174.9 | -146 | 9.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 894 | N | 45.8 | Very low | 44.2 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | | | cis | -173.5 | 113 | -3.8 | 176.6 | 105.3 | 0 | 0 | 0 | 110.3 | | |
| 895 | E | 44.2 | Very low | 44.1 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | | | trans | 62.9 | 138 | 164.6 | -58.1 | 168.6 | 146.9 | 0 | 0 | 118 | | |
| 896 | N | 44.5 | Very low | 44.3 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | cis | -159.5 | 158.6 | -4.1 | -102.1 | -1.4 | 0 | 0 | 0 | 111.4 | | |
| 897 | N | 43.6 | Very low | 43.8 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | 44.5 | 122.6 | 158 | -77.8 | 51.9 | 0 | 0 | 0 | 121 | | |
| 898 | E | 45 | Very low | 43.6 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | | 75 | 126.7 | 69.6 | -71.9 | 173.1 | 174.6 | 0 | 0 | 112.4 | | |
| 899 | E | 42.8 | Very low | 43.6 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | cis | -144.5 | -179.8 | 1 | -165.9 | 154.8 | -163.8 | 0 | 0 | 111.9 | | |
| 900 | K | 41.7 | Very low | 43.5 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | -95.5 | 157.8 | -169 | -47.2 | 172.5 | -176.3 | 169.8 | 0 | 111.7 | | |
| 901 | Q | 44.2 | Very low | 43.5 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | cis | 74.8 | 152.3 | 26 | -134.9 | -139.7 | -5.4 | 0 | 0 | 114.7 | | |
| 902 | P | 54.2 | Low | 42.9 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 52% | 0.519 | 75% | 0.748 | S | S | . | * | | | | -114.1 | -164.6 | -79.4 | 40 | -25.3 | 0 | 0 | 0 | 110.4 | | |
| 903 | T | 39.6 | Very low | 42.7 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | | -154.1 | 156.3 | 61.8 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 904 | Q | 37.8 | Very low | 42 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | cis | 65 | 136.5 | 43.4 | -69.3 | -157 | -90.6 | 0 | 0 | 113 | | |
| 905 | D | 38.5 | Very low | 41.4 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | | | cis | -145.5 | 165.2 | -11.2 | -72.6 | -48.5 | 0 | 0 | 0 | 107.2 | | |
| 906 | E | 45.7 | Very low | 41.3 | Very low | 202 Ų | 202 | 151.2 Ų | 151.2 | 94% | 0.944 | 75% | 0.749 | S | S | * | * | | | | -172.7 | 142.2 | 129.7 | -107.3 | 172.1 | 164.2 | 0 | 0 | 111.6 | | |
| 907 | E | 42.6 | Very low | 41 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -128.5 | 141.1 | 178.4 | -111.5 | -167.4 | 121.3 | 0 | 0 | 110.1 | | |
| 908 | V | 39.5 | Very low | 40.8 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | 48.5 | 114.2 | 149.2 | -175.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 909 | K | 44.9 | Very low | 40.3 | Very low | 169 Ų | 169 | 153 Ų | 153 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | | | | -159.5 | 136 | 127.5 | -127.9 | 173.2 | 166.2 | -74.7 | 0 | 113.4 | E911 | K909-E911 IonicContact NZ-OE2 2.6Å; K909-E911 PolarHBondContact NZ-OE2 3.19Å |
| 910 | E | 40 | Very low | 40.1 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | | | trans | -82.2 | 139.3 | 158.2 | -64.6 | 168.7 | 107.7 | 0 | 0 | 109.6 | | |
| 911 | E | 42.8 | Very low | 39.8 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | | | trans | -178.2 | 109.3 | 149.7 | -100.1 | 167.1 | 123.5 | 0 | 0 | 105.2 | K909 | K909-E911 IonicContact NZ-OE2 2.6Å; K909-E911 PolarHBondContact NZ-OE2 3.19Å |
| 912 | T | 33.6 | Very low | 39.4 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | | | | 93.6 | 159.5 | 90.5 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 913 | D | 38.8 | Very low | 38.3 | Very low | 135 Ų | 135 | 149 Ų | 149 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | 66.5 | 112.3 | 179.7 | -54.5 | -39.7 | 0 | 0 | 0 | 115.2 | | |
| 914 | Q | 32 | Very low | 38.2 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | | | | 71.4 | 138.7 | 63.8 | -67 | -162 | 25.4 | 0 | 0 | 115.2 | | |
| 915 | E | 32.8 | Very low | 38.3 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 63.7 | 97.2 | 153.8 | -165.5 | 165.7 | -127 | 0 | 0 | 119.1 | | |
| 916 | E | 42.8 | Very low | 38.2 | Very low | 147 Ų | 147 | 154 Ų | 154 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | | | | -158.9 | 126.3 | 121.3 | -115.9 | -168.2 | 149.6 | 0 | 0 | 113.4 | K918 | E916-K918 WeakPolarHBondContact OE1-CE 3.46Å; E916-K918 IonicContact OE1-NZ 2.6Å; E916-K918 PolarHBondContact OE1-NZ 3.31Å |
| 917 | Q | 38.8 | Very low | 37.9 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | | | trans | -91 | 102.7 | 158.3 | -80.7 | -174 | -17 | 0 | 0 | 109.1 | | |
| 918 | K | 39.8 | Very low | 37.8 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 60% | 0.596 | 74% | 0.737 | S | S | * | * | | | trans | -144.7 | 138.8 | 162.8 | -84.4 | -173.4 | -176.5 | 136.4 | 0 | 109 | E916 | E916-K918 WeakPolarHBondContact OE1-CE 3.46Å; E916-K918 IonicContact OE1-NZ 2.6Å; E916-K918 PolarHBondContact OE1-NZ 3.31Å |
| 919 | V | 34.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | cis | 71.4 | 144.1 | 39.4 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 920 | E | 36.7 | Very low | 38.1 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | 67.3 | 144.7 | 178.9 | -77.4 | 164.7 | 164.3 | 0 | 0 | 115.2 | | |
| 921 | E | 36.1 | Very low | 38.1 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | cis | -129.7 | 143.1 | -26.3 | -84.6 | -167.2 | 114.3 | 0 | 0 | 108 | | |
| 922 | K | 35.5 | Very low | 38.2 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | cis | 72 | 112.7 | 48.1 | 168.9 | -129 | -178.4 | -177.9 | 0 | 113.4 | | |
| 923 | A | 32.7 | Very low | 38.7 | Very low | 75 Ų | 75 | 145.5 Ų | 145.5 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | | | trans | 66.7 | 160.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 924 | E | 36.1 | Very low | 38.8 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | 63.8 | 152.6 | 166.3 | -71.5 | 153.3 | -141 | 0 | 0 | 115.8 | | |
| 925 | E | 39.7 | Very low | 39.1 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 77% | 0.771 | 72% | 0.724 | S | S | * | * | | | cis | -122 | 140.3 | 5.6 | -143 | 177.1 | 157.4 | 0 | 0 | 112.7 | | |
| 926 | Q | 37 | Very low | 39.2 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | | | trans | -36.7 | 142.1 | 147.9 | -55 | 158.8 | 38.2 | 0 | 0 | 111.9 | | |
| 927 | T | 39.3 | Very low | 39.1 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | | | trans | -160.1 | 120.3 | 135.9 | 19.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 928 | T | 39.5 | Very low | 39 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | | | | 78.9 | 119.2 | 72.8 | -68.2 | 0 | 0 | 0 | 0 | 110 | | |
| 929 | E | 46.9 | Very low | 39.2 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | | | cis | -164.5 | 161.4 | 17.9 | -132.7 | -179.7 | -168.6 | 0 | 0 | 116 | | |
| 930 | K | 43.8 | Very low | 39.6 | Very low | 164 Ų | 164 | 141 Ų | 141 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | 49.9 | 150.4 | 142.8 | -85 | 168.3 | -157.4 | 146.5 | 0 | 123.3 | | |
| 931 | G | 41.6 | Very low | 40.2 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | trans | 138 | 48.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 932 | E | 45.1 | Very low | 40.6 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | | | | 89.3 | 141.9 | 91.2 | -81.4 | -168.4 | 151.5 | 0 | 0 | 115.5 | | |
| 933 | E | 42.5 | Very low | 41.3 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | trans | 52.3 | 94.4 | 161.5 | -61.2 | -163.4 | 151.3 | 0 | 0 | 121.7 | | |
| 934 | E | 40.4 | Very low | 42 | Very low | 156 Ų | 156 | 143 Ų | 143 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | | 61.7 | 148.7 | 110.5 | -92.3 | -149.4 | 104.8 | 0 | 0 | 124.3 | | |
| 935 | Q | 39.2 | Very low | 42.5 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | 79.4 | 93 | 146.5 | -74 | 172.6 | 37.9 | 0 | 0 | 122.4 | | |
| 936 | T | 35.9 | Very low | 42.6 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | | 84.7 | 132.6 | 120.4 | 62.4 | 0 | 0 | 0 | 0 | 123 | | |
| 937 | N | 39.9 | Very low | 42.6 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | | | trans | 70.6 | 113.3 | 141.7 | -63.5 | -26.5 | 0 | 0 | 0 | 120.7 | | |
| 938 | A | 37.1 | Very low | 42.8 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | | | | 36.5 | 124.9 | 127.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 939 | D | 43.1 | Very low | 43 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | | | | -160.1 | 171.4 | 91.5 | -126.4 | -32.1 | 0 | 0 | 0 | 113 | | |
| 940 | K | 43.1 | Very low | 42.8 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | | | trans | -134.3 | 128.2 | 176.5 | -178.9 | -177.3 | -177.7 | 177.5 | 0 | 112 | | |
| 941 | P | 50 | Low | 42.4 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | | | trans | -117.4 | 143.3 | 145.8 | 2.5 | 19.8 | 0 | 0 | 0 | 110.1 | | |
| 942 | E | 44.1 | Very low | 42.3 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | | | cis | 89.7 | 153.5 | 45.2 | -72.7 | -162.8 | 127.2 | 0 | 0 | 114.4 | | |
| 943 | E | 49.7 | Very low | 42.1 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | 73.2 | 147.8 | 170.2 | -62.1 | -165.7 | 163.2 | 0 | 0 | 118 | | |
| 944 | E | 47.4 | Very low | 42.6 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | | | cis | -159.7 | 158.6 | -14 | -92.6 | -109.4 | 152.3 | 0 | 0 | 107.5 | | |
| 945 | K | 47.2 | Very low | 42.8 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 68% | 0.683 | 74% | 0.736 | S | S | * | * | | | cis | 176.8 | 176.3 | -25.9 | -149.5 | 157.8 | -175.4 | 174.2 | 0 | 109.8 | | |
| 946 | V | 40.8 | Very low | 42.9 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | | | trans | 71.5 | 127 | 164.5 | -178.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 947 | T | 37.9 | Very low | 43.2 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | | | cis | 94.3 | 160.7 | 20.3 | 77.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 948 | E | 44 | Very low | 43.5 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | trans | 78.2 | 105.9 | -174.8 | -56.1 | -169.9 | 119.4 | 0 | 0 | 114.2 | | |
| 949 | E | 42.6 | Very low | 43.9 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | | | | 65.7 | 121.8 | 73.3 | -75 | -135.2 | 110.9 | 0 | 0 | 114.6 | K951 | E949-K951 IonicContact OE1-NZ 2.72Å; E949-K951 PolarHBondContact OE1-NZ 2.94Å; E949-K951 IonicContact OE2-NZ 2.65Å; E949-K951 PolarHBondContact OE2-NZ 3.35Å |
| 950 | L | 43.3 | Very low | 44.1 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | | | | -178.1 | 103.4 | 114.3 | -96.8 | 164 | 0 | 0 | 0 | 114.2 | | |
| 951 | K | 35.3 | Very low | 44.1 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 55% | 0.548 | 71% | 0.713 | S | S | . | * | | | trans | 13.8 | 131.6 | 133.5 | -49.4 | 173.4 | -178 | 69.9 | 0 | 118.1 | E949 | E949-K951 IonicContact OE1-NZ 2.72Å; E949-K951 PolarHBondContact OE1-NZ 2.94Å; E949-K951 IonicContact OE2-NZ 2.65Å; E949-K951 PolarHBondContact OE2-NZ 3.35Å |
| 952 | N | 40.6 | Very low | 43.9 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | | | | -179.5 | 133.7 | 113.9 | -86 | -29.7 | 0 | 0 | 0 | 113.5 | | |
| 953 | T | 41 | Very low | 43.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | -90.9 | 155.4 | 163.6 | -26.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 954 | P | 52.2 | Low | 43.5 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | | | | -132.9 | 139.7 | 119.4 | 35.5 | -26 | 0 | 0 | 0 | 111.3 | | |
| 955 | E | 43.7 | Very low | 43.2 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | | | | 72 | 107 | 66.2 | -87.7 | -174.6 | 155.6 | 0 | 0 | 114.9 | | |
| 956 | E | 42.1 | Very low | 42.8 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | | | | 68 | 119.7 | 125.5 | -143.1 | -163.2 | -131.2 | 0 | 0 | 119.9 | | |
| 957 | Q | 41.9 | Very low | 43.2 | Very low | 133 Ų | 133 | 140 Ų | 140 | 62% | 0.621 | 72% | 0.72 | S | S | * | * | | | | 164.6 | 133 | 105 | -87.3 | -178.7 | 15.7 | 0 | 0 | 114.7 | | |
| 958 | M | 45.5 | Very low | 43.4 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | | | trans | 58.4 | 150.7 | 139.2 | -58.9 | 174.2 | -169.2 | 0 | 0 | 120.2 | | |
| 959 | E | 46.1 | Very low | 43.1 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | cis | 179.4 | 151.3 | -12.9 | -105.2 | 178.9 | -174.3 | 0 | 0 | 106.4 | | |
| 960 | K | 47.3 | Very low | 43.1 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | | | trans | 101.3 | 144.1 | 167.6 | -64.4 | 153.5 | -161.4 | 76.2 | 0 | 114.7 | | |
| 961 | E | 43.7 | Very low | 42.7 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | cis | 143 | 148.9 | -10 | -100.8 | -179.7 | 146.2 | 0 | 0 | 105.6 | | |
| 962 | N | 44.8 | Very low | 42.7 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | trans | 75.7 | 153.4 | 176.6 | -35.5 | -67.3 | 0 | 0 | 0 | 115.3 | | |
| 963 | E | 44.9 | Very low | 42.8 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | cis | -176.7 | 130.8 | -42.8 | -113.8 | 173.6 | 176.3 | 0 | 0 | 110.3 | Q638 | Q638-E963 PolarHBondContact NE2-O 3.3Š|
| 964 | D | 41 | Very low | 42.9 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | | | trans | 72.1 | 132.1 | 152.5 | -94.2 | 1.6 | 0 | 0 | 0 | 124 | Q638 | Q638-D964 PolarHBondContact NE2-O 3.48Š|
| 965 | D | 42 | Very low | 42.3 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | 46.4 | 117.7 | 146.8 | -78.6 | -8.2 | 0 | 0 | 0 | 122.7 | | |
| 966 | G | 39 | Very low | 42.3 | Very low | 73 Ų | 73 | 148.4 Ų | 148.4 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | | 146.9 | 55.9 | 107.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 967 | E | 48.1 | Very low | 42.5 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | -132.6 | 137.1 | 157.5 | -65.5 | -170.6 | 100.6 | 0 | 0 | 109.3 | E636 | E636-E967 PolarHBondContact N-OE2 3.39Š|
| 968 | K | 43.2 | Very low | 42.7 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | cis | 86.9 | 89.2 | 40.2 | -78.2 | -159.6 | 167.1 | -166.4 | 0 | 116.4 | | |
| 969 | Q | 36.5 | Very low | 43.1 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -19.4 | 162 | 150.2 | -78.5 | -174.1 | -38.1 | 0 | 0 | 118.7 | | |
| 970 | P | 41.9 | Very low | 43.2 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | cis | -139.1 | -175.4 | 20.5 | 41.3 | -23.1 | 0 | 0 | 0 | 117.9 | | |
| 971 | A | 36.2 | Very low | 43.4 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | 93.2 | 145.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 972 | Q | 34.1 | Very low | 43.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | 51.3 | 103.1 | 164.8 | -69.2 | 178.2 | -35.4 | 0 | 0 | 119.2 | | |
| 973 | E | 43.5 | Very low | 44.3 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | | | trans | 172.7 | 123.8 | 132.6 | -101.4 | 174.8 | -159.4 | 0 | 0 | 110.5 | | |
| 974 | E | 43 | Very low | 44.9 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | | | trans | -161.6 | 103.6 | 130.8 | -167 | 156.5 | -135.3 | 0 | 0 | 108 | | |
| 975 | N | 40.4 | Very low | 45.9 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | -134.7 | 62.2 | -175.4 | -170.1 | 13.2 | 0 | 0 | 0 | 109.8 | | |
| 976 | V | 43.7 | Very low | 47 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | trans | -145.8 | 105 | -174.4 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 977 | N | 45 | Very low | 48.2 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | | | trans | -176.5 | 62.4 | 130.3 | -167.5 | 10.8 | 0 | 0 | 0 | 112.1 | E979 A980 | N977-E979 VanDerWaalsContact C-N 3.28Å; N977-E979 PolarHBondContact O-N 3.19Å; N977-A980 VanDerWaalsContact ND2-CB 3.31Å; N977-A980 WeakPolarHBondContact ND2-CB 3.38Å; N977-A980 PolarHBondContact OD1-N 3.49Å |
| 978 | V | 46.6 | Very low | 48.6 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -15.6 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 979 | E | 53.3 | Low | 49.4 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -20.6 | -175.9 | -120.1 | 174.2 | 158.2 | 0 | 0 | 114.2 | N977 | N977-E979 VanDerWaalsContact C-N 3.28Å; N977-E979 PolarHBondContact O-N 3.19Å |
| 980 | A | 49.5 | Very low | 50.9 | Low | 48 Ų | 48 | 138.8 Ų | 138.8 | 40% | 0.397 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -33.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N977 Q982 E983 | N977-A980 VanDerWaalsContact ND2-CB 3.31Å; N977-A980 WeakPolarHBondContact ND2-CB 3.38Å; N977-A980 PolarHBondContact OD1-N 3.49Å; A980-Q982 PolarHBondContact O-N 2.9Å; A980-E983 PolarHBondContact O-N 3.14Å |
| 981 | A | 52.2 | Low | 52.1 | Low | 70 Ų | 70 | 138.5 Ų | 138.5 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -71 | -10.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 982 | Q | 50.5 | Low | 53.3 | Low | 153 Ų | 153 | 141.6 Ų | 141.6 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -96.1 | -8.5 | -179.7 | -141.4 | 177.5 | 34 | 0 | 0 | 113.7 | A980 | A980-Q982 PolarHBondContact O-N 2.9Å |
| 983 | E | 56.2 | Low | 54.7 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -93.2 | -39.8 | 175.1 | -158.4 | 160.6 | -140.6 | 0 | 0 | 111.1 | A980 K985 K986 | A980-E983 PolarHBondContact O-N 3.14Å; E983-K985 PolarHBondContact O-N 3.26Å; E983-K986 WeakPolarHBondContact O-CB 3.43Å; E983-K986 PolarHBondContact O-N 3.3Å |
| 984 | E | 57.7 | Low | 55.5 | Low | 122 Ų | 122 | 137.5 Ų | 137.5 | 57% | 0.57 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.6 | -36.1 | 177.2 | -165.1 | 167 | -158.5 | 0 | 0 | 112.7 | K986 E987 Q988 | E984-K986 PolarHBondContact O-N 3.29Å; E984-E987 PolarHBondContact O-N 3.31Å; E984-Q988 PolarHBondContact O-N 3.45Å |
| 985 | K | 61.9 | Low | 56 | Low | 156 Ų | 156 | 135.7 Ų | 135.7 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -58.5 | -30.3 | 171.6 | -91 | -162.6 | 170.3 | -165.9 | 0 | 113.4 | E983 E987 E989 | E983-K985 PolarHBondContact O-N 3.26Å; K985-E987 VanDerWaalsContact C-N 3.34Å; K985-E989 WeakPolarHBondContact O-CB 3.41Å; K985-E989 PolarHBondContact O-N 2.72Å; K985-E989 VanDerWaalsContact O-N 3.16Å |
| 986 | K | 65.1 | Low | 56.8 | Low | 152 Ų | 152 | 132 Ų | 132 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.8 | -6.1 | -178.9 | -98.2 | 176.2 | 177.2 | 166.5 | 0 | 114.8 | E983 E984 | E983-K986 WeakPolarHBondContact O-CB 3.43Å; E983-K986 PolarHBondContact O-N 3.3Å; E984-K986 PolarHBondContact O-N 3.29Å |
| 987 | E | 63 | Low | 57.5 | Low | 150 Ų | 150 | 134.2 Ų | 134.2 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -96.4 | -38.7 | 170.4 | -155.7 | 154 | -146.4 | 0 | 0 | 110 | E984 K985 K990 | E984-E987 PolarHBondContact O-N 3.31Å; K985-E987 VanDerWaalsContact C-N 3.34Å; E987-K990 PolarHBondContact O-N 3.35Å |
| 988 | Q | 56.2 | Low | 57.9 | Low | 141 Ų | 141 | 137.6 Ų | 137.6 | 66% | 0.659 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63.7 | -43.5 | 172.5 | -90.8 | -172.6 | -33.1 | 0 | 0 | 114.4 | E984 K990 D991 | E984-Q988 PolarHBondContact O-N 3.45Å; Q988-K990 PolarHBondContact O-N 3.34Å; Q988-D991 PolarHBondContact O-N 3.2Å |
| 989 | E | 61.4 | Low | 58 | Low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -58.8 | -13.5 | 179.4 | -170.3 | 172.5 | -143.1 | 0 | 0 | 113.1 | K985 | K985-E989 WeakPolarHBondContact O-CB 3.41Å; K985-E989 PolarHBondContact O-N 2.72Å; K985-E989 VanDerWaalsContact O-N 3.16Å |
| 990 | K | 68.1 | Low | 57.6 | Low | 139 Ų | 139 | 132.7 Ų | 132.7 | 60% | 0.604 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -100.4 | -32.9 | -175.4 | -136.3 | 174.5 | -173.7 | 178.4 | 0 | 114.6 | E987 Q988 E992 E993 E994 | E987-K990 PolarHBondContact O-N 3.35Å; Q988-K990 PolarHBondContact O-N 3.34Å; K990-E992 VanDerWaalsContact C-N 3.27Å; K990-E992 PolarHBondContact O-N 3.49Å; K990-E993 PolarHBondContact O-N 3.47Å; K990-E994 PolarHBondContact O-N 2.85Å |
| 991 | D | 67.1 | Low | 57.8 | Low | 109 Ų | 109 | 139.6 Ų | 139.6 | 58% | 0.583 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.4 | -17.9 | 177 | -87 | 6.7 | 0 | 0 | 0 | 112.4 | Q988 Q995 | Q988-D991 PolarHBondContact O-N 3.2Å; D991-Q995 PolarHBondContact O-NE2 2.87Å |
| 992 | E | 60.6 | Low | 57.4 | Low | 153 Ų | 153 | 142.5 Ų | 142.5 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -31.2 | 170.6 | -65.4 | -163.9 | 128.9 | 0 | 0 | 112.6 | K990 Q995 A996 | K990-E992 VanDerWaalsContact C-N 3.27Å; K990-E992 PolarHBondContact O-N 3.49Å; E992-Q995 PolarHBondContact O-N 3.05Å; E992-A996 PolarHBondContact O-N 3.02Å |
| 993 | E | 63.7 | Low | 57.5 | Low | 140 Ų | 140 | 144 Ų | 144 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -66.3 | -44.6 | 174.9 | -164.9 | 176.5 | -154.6 | 0 | 0 | 111.4 | K990 Q995 A996 | K990-E993 PolarHBondContact O-N 3.47Å; E993-Q995 PolarHBondContact O-N 3.48Å; E993-A996 PolarHBondContact O-N 3.03Å; E993-A996 VanDerWaalsContact O-N 3.14Å |
| 994 | E | 59.5 | Low | 56.7 | Low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -65.7 | -21.8 | 175.1 | -82.5 | -160.7 | 160.9 | 0 | 0 | 113.7 | K990 | K990-E994 PolarHBondContact O-N 2.85Å |
| 995 | Q | 55.2 | Low | 55.8 | Low | 150 Ų | 150 | 148.7 Ų | 148.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -86.6 | -9.7 | 175.2 | -78.1 | 178 | 89.6 | 0 | 0 | 113.9 | D991 E992 E993 | D991-Q995 PolarHBondContact O-NE2 2.87Å; E992-Q995 PolarHBondContact O-N 3.05Å; E993-Q995 PolarHBondContact O-N 3.48Å |
| 996 | A | 57.2 | Low | 55 | Low | 76 Ų | 76 | 147.2 Ų | 147.2 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -84.3 | -32.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | E992 E993 | E992-A996 PolarHBondContact O-N 3.02Å; E993-A996 PolarHBondContact O-N 3.03Å; E993-A996 VanDerWaalsContact O-N 3.14Å |
| 997 | E | 58.5 | Low | 53.8 | Low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -79 | -19.9 | -175.2 | -73.9 | -153 | 121.1 | 0 | 0 | 115.1 | V999 | E997-V999 VanDerWaalsContact C-N 3.29Å; E997-V999 PolarHBondContact O-N 3.04Å |
| 998 | E | 52 | Low | 52.9 | Low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -78.5 | 0.6 | -171 | -139.9 | -164.4 | 159.3 | 0 | 0 | 115.4 | | |
| 999 | V | 50.2 | Low | 52.5 | Low | 135 Ų | 135 | 148.9 Ų | 148.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -114.5 | 38.3 | -173.4 | -158.7 | 0 | 0 | 0 | 0 | 113.1 | E997 | E997-V999 VanDerWaalsContact C-N 3.29Å; E997-V999 PolarHBondContact O-N 3.04Å |
| 1000 | G | 43.2 | Very low | 51.4 | Low | 67 Ų | 67 | 150.7 Ų | 150.7 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -110.2 | 59.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1001 | K | 54.1 | Low | 50.2 | Low | 193 Ų | 193 | 151.9 Ų | 151.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -165.1 | 116.2 | 162 | -119.6 | 166.1 | -168.7 | 172.8 | 0 | 116.6 | | |
| 1002 | P | 43.7 | Very low | 49 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | | | trans | -91.1 | 133.3 | 159.1 | 34 | -28.6 | 0 | 0 | 0 | 110.6 | | |
| 1003 | E | 52.5 | Low | 48.2 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -136.2 | 117.1 | 167.9 | -164.1 | 162.6 | -167.1 | 0 | 0 | 108.5 | | |
| 1004 | E | 40.8 | Very low | 46.9 | Very low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -71.9 | 164.5 | 179.3 | -54.6 | -179.5 | 124.5 | 0 | 0 | 111.3 | | |
| 1005 | R | 38.8 | Very low | 45.9 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | | 140.6 | 130.4 | 124.1 | -169 | 172.8 | -172.4 | 102.2 | 18.4 | 116.4 | | |
| 1006 | E | 43.6 | Very low | 45 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 58% | 0.584 | 81% | 0.805 | S | S | * | * | | | trans | 66 | 115 | 153.9 | -73.7 | 161.6 | 174.2 | 0 | 0 | 123.1 | | |
| 1007 | E | 41.6 | Very low | 44.1 | Very low | 181 Ų | 181 | 152.7 Ų | 152.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | | 78.9 | 135.1 | 127.4 | -62.8 | -175.1 | 154.4 | 0 | 0 | 123.5 | | |
| 1008 | E | 43.1 | Very low | 43.2 | Very low | 186 Ų | 186 | 150.9 Ų | 150.9 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | -64.1 | 168.7 | 163.4 | -97.8 | -171.4 | 136.3 | 0 | 0 | 112.5 | | |
| 1009 | P | 47.5 | Very low | 42.6 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | | | cis | -146.8 | -163.4 | 35.4 | 43.5 | -21.9 | 0 | 0 | 0 | 117.1 | | |
| 1010 | E | 39.4 | Very low | 42.3 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -22.5 | 133.1 | 167.4 | -51.7 | 178.3 | 119.9 | 0 | 0 | 117.9 | | |
| 1011 | D | 41.2 | Very low | 42.1 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | | -166.6 | 165.1 | 117.7 | -133 | -32 | 0 | 0 | 0 | 113.7 | | |
| 1012 | K | 43.4 | Very low | 41.4 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -113 | 139.1 | 172.8 | -72.5 | -178.2 | -179.3 | 175.8 | 0 | 112.5 | | |
| 1013 | P | 43.7 | Very low | 41.2 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -121.9 | 135.8 | 132.4 | -0.5 | 22.3 | 0 | 0 | 0 | 110.6 | | |
| 1014 | A | 36.3 | Very low | 40.6 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | | 67.5 | 120.3 | 76.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1015 | G | 37.9 | Very low | 40.5 | Very low | 77 Ų | 77 | 150.2 Ų | 150.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -127.3 | 171.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1016 | E | 37 | Very low | 40.6 | Very low | 204 Ų | 204 | 150 Ų | 150 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | | | trans | -125 | 145.7 | -176.6 | -66.4 | -173.6 | 133.4 | 0 | 0 | 112 | | |
| 1017 | T | 37.4 | Very low | 40.9 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -116.8 | 146.5 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1018 | E | 39.6 | Very low | 40.7 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 66% | 0.659 | 80% | 0.796 | S | S | * | * | | | trans | -128.2 | 155.5 | 156.3 | -71.9 | -165.9 | 174.5 | 0 | 0 | 111.1 | E264 | E264-E1018 HydrophobicContact CG-CG 4.4Š|
| 1019 | K | 40.4 | Very low | 40.6 | Very low | 193 Ų | 193 | 145 Ų | 145 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -139.1 | 147.8 | 179.3 | -57.6 | 168.4 | -178 | 165 | 0 | 108.2 | | |
| 1020 | E | 43.2 | Very low | 40.5 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -169.5 | 167.6 | 149.9 | -90.2 | -123 | 99 | 0 | 0 | 110.2 | | |
| 1021 | T | 38.7 | Very low | 40.8 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 59% | 0.589 | 79% | 0.791 | S | S | * | * | | | | -161.1 | 154.2 | -60 | 41.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1022 | N | 38.9 | Very low | 40.9 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | 158.5 | 120.4 | 145.7 | -92.2 | -76 | 0 | 0 | 0 | 108.2 | | |
| 1023 | A | 40.3 | Very low | 40.9 | Very low | 81 Ų | 81 | 138 Ų | 138 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | | 87 | 145.3 | 61.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1024 | E | 38.8 | Very low | 40.8 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | cis | -172.2 | 126.5 | -13.1 | 164.8 | -175.1 | 178.3 | 0 | 0 | 107.6 | | |
| 1025 | E | 40 | Very low | 41.1 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | | | trans | -174.5 | 138.9 | 141.3 | -109.2 | -177.3 | 143.2 | 0 | 0 | 111.8 | | |
| 1026 | K | 41.1 | Very low | 41.2 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | | | trans | -121.1 | 163.1 | 159.7 | -72.4 | -171.1 | 177.7 | -176.3 | 0 | 107.6 | | |
| 1027 | P | 48.9 | Very low | 41.7 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 72% | 0.717 | S | S | * | * | | | | -134.9 | 157.7 | 99.7 | 37.2 | -28.7 | 0 | 0 | 0 | 113.4 | | |
| 1028 | A | 38 | Very low | 42 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | -99.2 | 155.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1029 | D | 40 | Very low | 41.9 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | | | trans | -150.6 | 157.1 | 156.8 | -130.4 | -26.7 | 0 | 0 | 0 | 112.3 | | |
| 1030 | E | 45.7 | Very low | 41.8 | Very low | 148 Ų | 148 | 133 Ų | 133 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | | | trans | -76.6 | -172.5 | -169.8 | -98.3 | 175.3 | -162.3 | 0 | 0 | 114.3 | | |
| 1031 | P | 47 | Very low | 41.8 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | cis | -139.9 | 160 | 13.8 | 23.3 | 3.6 | 0 | 0 | 0 | 120 | | |
| 1032 | E | 43.2 | Very low | 41.8 | Very low | 115 Ų | 115 | 135 Ų | 135 | 54% | 0.537 | 73% | 0.734 | S | S | . | * | | | | 12.5 | 155.2 | 117.7 | -48.7 | -155.2 | 155.9 | 0 | 0 | 121.2 | | |
| 1033 | K | 43.8 | Very low | 41.7 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 54% | 0.535 | 73% | 0.728 | S | S | . | * | | | cis | -172.8 | -178 | -14.2 | -98.6 | 172.9 | -165.4 | 148.5 | 0 | 106.1 | | |
| 1034 | E | 40.3 | Very low | 41.5 | Very low | 80 Ų | 80 | 138.4 Ų | 138.4 | 37% | 0.374 | 73% | 0.729 | S | S | . | * | | | | 150.6 | 113.1 | 115.7 | -87.3 | 147.6 | 159.6 | 0 | 0 | 117.8 | T449 P450 A451 | T449-E1034 WeakPolarHBondContact CA-OE1 3.42Å; T449-E1034 WeakPolarHBondContact CB-OE1 3.46Å; T449-E1034 HydrophobicContact CG2-CG 4.11Å; T449-E1034 WeakPolarHBondContact CG2-OE1 2.99Å; P450-E1034 VanDerWaalsContact CA-OE1 3.27Å; P450-E1034 WeakPolarHBondContact CA-OE1 3.37Å; P450-E1034 WeakPolarHBondContact CA-OE2 3.3Å; P450-E1034 HydrophobicContact CB-CB 3.86Å; P450-E1034 HydrophobicContact CB-CG 3.82Å; P450-E1034 WeakPolarHBondContact CB-OE2 3.18Å; A451-E1034 PolarHBondContact N-OE2 3.15Å |
| 1035 | N | 42.5 | Very low | 41.4 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | | | | 54.4 | 141.8 | 120.7 | -62.4 | -1.8 | 0 | 0 | 0 | 122.2 | T449 | T449-N1035 PolarHBondContact OG1-ND2 2.73Š|
| 1036 | A | 40.6 | Very low | 41.2 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | | | cis | -174 | 160.6 | -10.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1037 | S | 47.9 | Very low | 40.9 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | | | | 158.5 | 120.2 | 124.6 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1038 | E | 42.2 | Very low | 40.3 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | | | trans | 12.8 | 118.5 | 146.5 | -55.6 | 172.5 | 112.9 | 0 | 0 | 117.6 | | |
| 1039 | G | 38.6 | Very low | 40.3 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | cis | 104.7 | 121.7 | 40.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1040 | Q | 38.8 | Very low | 40.3 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | | | trans | -153.2 | 173.6 | 151.8 | -123.5 | -179.7 | -19.8 | 0 | 0 | 112.1 | | |
| 1041 | E | 42.7 | Very low | 40 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | | | trans | -79.3 | 136.7 | -150.3 | -61.1 | -176.9 | 84.3 | 0 | 0 | 117.1 | | |
| 1042 | K | 38.6 | Very low | 39.7 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | | | trans | 52.6 | 116.2 | 130.1 | -60.6 | 169.4 | -171.5 | 148.8 | 0 | 120.6 | | |
| 1043 | K | 36.4 | Very low | 39.9 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | | | | 80.1 | 131.3 | 115.5 | -167 | 171.5 | -171.3 | -85.9 | 0 | 119.2 | | |
| 1044 | E | 36 | Very low | 39.7 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | trans | 67.8 | 83.8 | 161 | -76.2 | 160.2 | 169.9 | 0 | 0 | 119.2 | | |
| 1045 | E | 37.5 | Very low | 39.8 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | | | trans | -174.6 | 120.3 | 141.6 | -99.1 | 157.1 | -164.2 | 0 | 0 | 103.7 | | |
| 1046 | N | 35.2 | Very low | 39.6 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | cis | 87.7 | 105.7 | 36.3 | -155.7 | 95.6 | 0 | 0 | 0 | 113.8 | | |
| 1047 | D | 34.3 | Very low | 39.8 | Very low | 143 Ų | 143 | 153.3 Ų | 153.3 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | trans | 67 | 167.2 | 166.1 | -76 | -51.9 | 0 | 0 | 0 | 121.1 | | |
| 1048 | E | 37.7 | Very low | 39.6 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | 75.8 | 109.3 | 162.9 | -68.8 | -176.5 | 159.4 | 0 | 0 | 122.5 | | |
| 1049 | E | 38.2 | Very low | 39.6 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | | 78.7 | 124.7 | 122.9 | -66.3 | -154.2 | 141.2 | 0 | 0 | 125.3 | | |
| 1050 | L | 38.6 | Very low | 39.9 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | | 49.5 | 113.9 | 124.7 | -54.6 | 174.9 | 0 | 0 | 0 | 121.9 | | |
| 1051 | E | 39.5 | Very low | 40.2 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | -150.4 | 144.8 | 142.9 | -82.3 | -140.8 | 118.2 | 0 | 0 | 109 | | |
| 1052 | N | 42 | Very low | 40 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | cis | -163.4 | -177.6 | -19.6 | -130.8 | -36.5 | 0 | 0 | 0 | 110.4 | | |
| 1053 | E | 45.8 | Very low | 40.1 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | 74.6 | 128.7 | 170.7 | -54.3 | -162.4 | 154.1 | 0 | 0 | 117.1 | | |
| 1054 | E | 40.4 | Very low | 40.2 | Very low | 138 Ų | 138 | 147 Ų | 147 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | | | cis | -159.1 | 158.1 | -2.2 | -144.2 | -156.6 | 124.5 | 0 | 0 | 113.1 | | |
| 1055 | K | 42.7 | Very low | 40.3 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 70% | 0.7 | 75% | 0.748 | S | S | * | * | | | trans | 72.7 | 92.7 | 161.8 | -53.9 | -177.1 | -176 | 69.2 | 0 | 120.4 | | |
| 1056 | T | 38.8 | Very low | 40.3 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 95% | 0.945 | 74% | 0.738 | S | S | * | * | | | | -133.2 | 147.5 | 123.5 | 27.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1057 | D | 44.7 | Very low | 40.4 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | | | trans | -117.7 | 164.8 | -167.2 | -154 | -10.2 | 0 | 0 | 0 | 112.8 | | |
| 1058 | E | 44 | Very low | 40.4 | Very low | 153 Ų | 153 | 144 Ų | 144 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | | | trans | 53.9 | 90.9 | 167.3 | -62.1 | -145.5 | 113.6 | 0 | 0 | 120.5 | | |
| 1059 | T | 41.4 | Very low | 40.5 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 64% | 0.638 | 72% | 0.722 | S | S | * | * | | | | 48.3 | 148 | 125.1 | 75 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1060 | K | 44.6 | Very low | 40.4 | Very low | 162 Ų | 162 | 140 Ų | 140 | 70% | 0.704 | 72% | 0.723 | S | S | * | * | | | cis | -174.6 | 163.1 | 38.8 | -149.2 | 172.3 | -110.5 | 85.5 | 0 | 112.1 | | |
| 1061 | D | 44.3 | Very low | 40.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | | | trans | 39.9 | 98.8 | 157.8 | -80 | -49.6 | 0 | 0 | 0 | 118.3 | | |
| 1062 | S | 38.8 | Very low | 40.7 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | | | | 73.5 | 130.9 | 71.6 | 87.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1063 | G | 41.4 | Very low | 40.8 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | | | trans | -159.1 | -20.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1064 | K | 39.4 | Very low | 40.8 | Very low | 173 Ų | 173 | 137 Ų | 137 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | | | trans | 62.1 | 145.5 | 163.7 | -104 | -173.5 | 154.5 | -71.4 | 0 | 120.8 | | |
| 1065 | D | 37.9 | Very low | 40.9 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 54% | 0.54 | 70% | 0.703 | S | S | . | * | | | trans | 75.1 | 118.4 | 137.1 | -67.2 | -5.4 | 0 | 0 | 0 | 122.8 | | |
| 1066 | E | 37.6 | Very low | 40.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | | | | 74.6 | 122.8 | 122.3 | -66.3 | -159.2 | 104.1 | 0 | 0 | 121.9 | | |
| 1067 | Q | 36 | Very low | 41 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | | | trans | 67 | 104 | 130.4 | -67.3 | -166.4 | 51.6 | 0 | 0 | 119.5 | | |
| 1068 | K | 33.8 | Very low | 40.8 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 76% | 0.757 | 71% | 0.705 | S | S | * | * | | | | 78.7 | 148.9 | 104.2 | -167.5 | -165.3 | -179.1 | 178 | 0 | 117.9 | | |
| 1069 | S | 41.3 | Very low | 40.5 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | | | trans | 93 | 98.1 | 160.8 | -26.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1070 | Q | 35.9 | Very low | 40.6 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | | 69.5 | 133.3 | 116.3 | -74.8 | -172.6 | -102.4 | 0 | 0 | 121.2 | | |
| 1071 | D | 41.5 | Very low | 40 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | | | trans | 70.7 | 140.5 | 144.4 | -53.1 | -7.8 | 0 | 0 | 0 | 116 | | |
| 1072 | K | 42.7 | Very low | 39.7 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | | | cis | -169 | 154.5 | 5.3 | -130.6 | 165.3 | 137.2 | -102.9 | 0 | 110.4 | | |
| 1073 | E | 42.9 | Very low | 40 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | | | trans | 61.6 | 154.6 | 155.9 | -68.2 | 154.4 | 154.1 | 0 | 0 | 116.5 | | |
| 1074 | E | 47.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | cis | -171 | 160.9 | -12.6 | -102.9 | 167.3 | 166.2 | 0 | 0 | 104.4 | | |
| 1075 | A | 42.1 | Very low | 39.3 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 63% | 0.628 | 73% | 0.729 | S | S | * | * | | | cis | -172.2 | 179.3 | -21.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1076 | N | 42.8 | Very low | 39.1 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | trans | 72.4 | 138.7 | 179.7 | -57.5 | 24.9 | 0 | 0 | 0 | 114.5 | | |
| 1077 | E | 41.1 | Very low | 39 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | | | cis | -144.3 | 129.7 | 5.6 | -127.4 | 149.6 | -128.9 | 0 | 0 | 109.9 | | |
| 1078 | E | 39.7 | Very low | 38.9 | Very low | 207 Ų | 207 | 143.3 Ų | 143.3 | 97% | 0.967 | 75% | 0.747 | S | S | * | * | | | trans | -135.8 | 149.4 | 174.2 | -78.7 | -173.7 | 137.2 | 0 | 0 | 109.5 | | |
| 1079 | G | 36.9 | Very low | 39 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | trans | -134.4 | 145.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1080 | P | 43.9 | Very low | 38.9 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | -123.4 | 177.5 | -137.4 | 40.5 | -27.5 | 0 | 0 | 0 | 115.9 | | |
| 1081 | Q | 33.4 | Very low | 39.1 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | | | trans | -72.5 | 179 | 169.2 | -59.1 | 173.6 | -82.4 | 0 | 0 | 112.9 | | |
| 1082 | E | 37.9 | Very low | 39.1 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | -51.4 | -177.6 | 163.3 | -45.1 | -172.8 | 117.6 | 0 | 0 | 113.8 | | |
| 1083 | P | 45 | Very low | 38.8 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | cis | -148.8 | 177.3 | 11.2 | 45.2 | -25.4 | 0 | 0 | 0 | 119.7 | | |
| 1084 | A | 31.5 | Very low | 38.6 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | 71.4 | 152.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1085 | K | 34.6 | Very low | 38.3 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | 83.8 | 125.7 | 168.7 | -63.7 | 171.2 | -176.4 | 173.5 | 0 | 115.8 | | |
| 1086 | E | 33.4 | Very low | 38.1 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | | | cis | 87.1 | 146.5 | 44.8 | -171.3 | -177 | -151 | 0 | 0 | 112.5 | | |
| 1087 | E | 35.7 | Very low | 38.1 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | 74.1 | 123.1 | -172.5 | -74.9 | -166.6 | 106.9 | 0 | 0 | 118.4 | | |
| 1088 | E | 34 | Very low | 38 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | | | trans | -11.2 | 142 | 153.5 | -35.9 | 177.1 | 138.8 | 0 | 0 | 118.7 | | |
| 1089 | R | 34.8 | Very low | 38 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | | | | 173.9 | 145.4 | 94.4 | -102.9 | 168 | -156.4 | 154.9 | 17.6 | 115.9 | | |
| 1090 | E | 38.6 | Very low | 38 | Very low | 142 Ų | 142 | 130 Ų | 130 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | | | trans | 62.8 | 144.3 | 146.3 | -65.3 | -174.3 | 117.1 | 0 | 0 | 119.1 | | |
| 1091 | K | 40.7 | Very low | 38.2 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | | | cis | -172.3 | 157.4 | -19.1 | -114.4 | 170.7 | -167.8 | 160.6 | 0 | 106.6 | | |
| 1092 | L | 41.1 | Very low | 38.6 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 81% | 0.812 | 66% | 0.657 | S | S | * | * | | | trans | 32.7 | 126.3 | 143.6 | -51.3 | 167 | 0 | 0 | 0 | 118.4 | | |
| 1093 | G | 36.4 | Very low | 38.8 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | | | cis | 128.8 | 178.8 | 19.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1094 | N | 40.4 | Very low | 39 | Very low | 148 Ų | 148 | 125 Ų | 125 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | | | trans | 79.4 | 134.7 | 174.2 | -59.9 | 4.3 | 0 | 0 | 0 | 116 | | |
| 1095 | K | 40.5 | Very low | 39.7 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | | | cis | 82.8 | 148.9 | 46.9 | -79.6 | -174.9 | 141.2 | -82.2 | 0 | 112.8 | E1097 | K1095-E1097 IonicContact NZ-OE1 2.72Å; K1095-E1097 PolarHBondContact NZ-OE1 2.96Å |
| 1096 | D | 37.8 | Very low | 40.3 | Very low | 47 Ų | 47 | 125.7 Ų | 125.7 | 25% | 0.251 | 64% | 0.644 | S | S | . | * | | | cis | -141.8 | -117.9 | 15.5 | -119.5 | -11.9 | 0 | 0 | 0 | 120.8 | A325 | A325-D1096 PolarHBondContact N-OD2 2.97Å; A325-D1096 VanDerWaalsContact O-CB 3.26Å; A325-D1096 WeakPolarHBondContact O-CB 3.36Å |
| 1097 | E | 42 | Very low | 40.9 | Very low | 93 Ų | 93 | 120.1 Ų | 120.1 | 44% | 0.435 | 63% | 0.633 | S | S | . | * | | | trans | -135.3 | 119.9 | -137.1 | -73.5 | 149.4 | 171.7 | 0 | 0 | 118.9 | E326 K1095 | E326-E1097 VanDerWaalsContact CA-N 3.33Å; E326-E1097 VanDerWaalsContact CA-O 3.31Å; E326-E1097 WeakPolarHBondContact CA-O 3.16Å; E326-E1097 WeakPolarHBondContact CG-O 3.4Å; K1095-E1097 IonicContact NZ-OE1 2.72Å; K1095-E1097 PolarHBondContact NZ-OE1 2.96Å |
| 1098 | D | 39.1 | Very low | 41.3 | Very low | 81 Ų | 81 | 118.7 Ų | 118.7 | 43% | 0.433 | 64% | 0.636 | S | S | . | * | | | trans | 67.6 | 163.5 | 162.1 | -99.9 | -57.8 | 0 | 0 | 0 | 118.9 | E327 K328 | E327-D1098 CarbonylContact C-O 3.43Å; E327-D1098 VanDerWaalsContact CA-O 3.23Å; E327-D1098 WeakPolarHBondContact CA-O 3.48Å; K328-D1098 HydrophobicContact CD-CB 4.49Å; K328-D1098 WeakPolarHBondContact CD-OD1 3.28Å; K328-D1098 VanDerWaalsContact CE-CG 3.46Å; K328-D1098 WeakPolarHBondContact CE-OD1 3.4Å; K328-D1098 VanDerWaalsContact CE-OD2 3.29Å; K328-D1098 WeakPolarHBondContact CE-OD2 3.44Å; K328-D1098 VanDerWaalsContact N-C 3.34Å; K328-D1098 PolarHBondContact N-O 2.92Å; K328-D1098 IonicContact NZ-OD1 3.87Å; K328-D1098 PolarHBondContact NZ-OD1 3.44Å; K328-D1098 IonicContact NZ-OD2 3.12Å; K328-D1098 PolarHBondContact NZ-OD2 2.8Å |
| 1099 | A | 40.2 | Very low | 41.8 | Very low | 57 Ų | 57 | 118.9 Ų | 118.9 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | | | cis | -155.6 | -174.1 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P329 | P329-A1099 WeakPolarHBondContact CG-O 3.44Š|
| 1100 | T | 38.1 | Very low | 42.4 | Very low | 98 Ų | 98 | 118 Ų | 118 | 60% | 0.601 | 64% | 0.638 | S | S | * | * | | | trans | -83 | -167.8 | 170.8 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | P329 A330 | P329-T1100 HydrophobicContact CB-CG2 3.95Å; P329-T1100 HydrophobicContact CG-CG2 3.88Å; A330-T1100 HydrophobicContact CB-CG2 4.41Å |
| 1101 | P | 46.2 | Very low | 42.9 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 66% | 0.662 | 64% | 0.641 | S | S | * | * | | | cis | -145.5 | -165.9 | -0.9 | 42.1 | -20.5 | 0 | 0 | 0 | 117.2 | | |
| 1102 | K | 42.1 | Very low | 43.3 | Very low | 165 Ų | 165 | 116.8 Ų | 116.8 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | | | trans | 87 | 135.2 | 139.4 | -91.4 | -179.9 | 171 | -123.1 | 0 | 123.7 | | |
| 1103 | E | 43.4 | Very low | 43.6 | Very low | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | | | trans | 68.7 | 146.1 | 140.2 | -77 | 176.3 | -135.4 | 0 | 0 | 119 | | |
| 1104 | N | 48 | Very low | 43.9 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | | | cis | -164.8 | 166.1 | 17.7 | -123.6 | -27.1 | 0 | 0 | 0 | 112.8 | | |
| 1105 | E | 47.6 | Very low | 43.9 | Very low | 170 Ų | 170 | 119 Ų | 119 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | | | trans | 61.4 | 149 | 146.3 | -71.9 | -176.3 | 151.8 | 0 | 0 | 121.2 | | |
| 1106 | S | 46.8 | Very low | 44 | Very low | 111 Ų | 111 | 117.7 Ų | 117.7 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | | | cis | -170.7 | 163.5 | -7 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1107 | G | 44.4 | Very low | 44.3 | Very low | 57 Ų | 57 | 122.2 Ų | 122.2 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | | | | 119.5 | 104.1 | 122.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1108 | T | 44.4 | Very low | 44.4 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 83% | 0.834 | 68% | 0.68 | S | S | * | * | | | trans | 68.9 | 144.9 | 138.7 | 65.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1109 | E | 44.9 | Very low | 44.6 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | | | cis | -156.6 | 133.6 | -9.9 | -122.3 | -168.4 | 139.4 | 0 | 0 | 112.7 | | |
| 1110 | K | 47.6 | Very low | 44.5 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | | | trans | 25.6 | 134.3 | 144 | -53.6 | 165.4 | -170.1 | 149 | 0 | 120.7 | | |
| 1111 | K | 49.2 | Very low | 44.8 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | | -177.2 | 138.2 | 86.1 | -98.7 | -162.3 | 148.3 | -73.7 | 0 | 115.9 | | |
| 1112 | D | 48.5 | Very low | 44.4 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 54% | 0.535 | 73% | 0.725 | S | S | . | * | | | trans | 71 | 99.5 | 140 | -53.7 | 1.1 | 0 | 0 | 0 | 121.6 | | |
| 1113 | D | 48.5 | Very low | 44.3 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | | | | 79.4 | 112 | 124.9 | -48.7 | -18.4 | 0 | 0 | 0 | 121.7 | | |
| 1114 | G | 42.1 | Very low | 44.2 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | | | trans | 148.4 | 103.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1115 | E | 41.2 | Very low | 43.8 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | | | trans | -54.4 | 133.2 | 172.4 | -72.1 | 136 | 99.4 | 0 | 0 | 111.4 | | |
| 1116 | T | 42.2 | Very low | 43.3 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | | | | 66.4 | 130.5 | 56.5 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1117 | D | 44.7 | Very low | 42.9 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | | | cis | -141.2 | 156.4 | 9.2 | -145.9 | -27.6 | 0 | 0 | 0 | 115 | | |
| 1118 | S | 44.2 | Very low | 42.6 | Very low | 85 Ų | 85 | 138 Ų | 138 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | | | trans | 64 | 113.3 | 149 | -77 | 0 | 0 | 0 | 0 | 123.9 | | |
| 1119 | Q | 42.5 | Very low | 42.3 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 72% | 0.722 | S | S | * | * | | | | 83 | 56.2 | 128.8 | -58.4 | -169.3 | 29.1 | 0 | 0 | 121 | | |
| 1120 | K | 36.9 | Very low | 42.4 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | | | | -57 | 173.6 | 124.7 | -92.3 | -166.6 | 172.6 | -168.5 | 0 | 113.1 | | |
| 1121 | P | 46.1 | Very low | 41.8 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | cis | -143.2 | 159.2 | -33.7 | 39.3 | -22 | 0 | 0 | 0 | 115.5 | | |
| 1122 | D | 37.3 | Very low | 41.2 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | | 19.5 | 141.9 | 119.9 | -149.1 | 6.9 | 0 | 0 | 0 | 123 | | |
| 1123 | E | 40.4 | Very low | 40.4 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | trans | 86.4 | 141.6 | 137.8 | -117.6 | -160.2 | 165.4 | 0 | 0 | 125.2 | | |
| 1124 | Q | 40.9 | Very low | 39.7 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 55% | 0.547 | 74% | 0.74 | S | S | . | * | | | trans | 91.1 | 113.5 | 146.8 | -69.8 | -178.9 | 41.5 | 0 | 0 | 123.8 | | |
| 1125 | K | 39.9 | Very low | 39.1 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | | | trans | 79.7 | 146.1 | 131.5 | -69 | 170.6 | -175 | 155.2 | 0 | 118.2 | | |
| 1126 | C | 36.6 | Very low | 38.6 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 64% | 0.635 | 73% | 0.732 | S | S | * | * | | | cis | -158.2 | 150.3 | 7 | -134.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1127 | T | 38.5 | Very low | 38.2 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | | | trans | 26.3 | 138.8 | 138.6 | 56.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1128 | E | 38.9 | Very low | 37.8 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | | | cis | -163.3 | 149.6 | 19.8 | -128 | 163.9 | 133.9 | 0 | 0 | 111.5 | | |
| 1129 | T | 37.7 | Very low | 37.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -73.9 | -178.2 | 162.1 | 19.4 | 0 | 0 | 0 | 0 | 111 | | |
| 1130 | P | 45.9 | Very low | 37.5 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | cis | -134.2 | -172.4 | 2.9 | 32.6 | -9.9 | 0 | 0 | 0 | 115.1 | | |
| 1131 | A | 35.7 | Very low | 37.7 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | | | | 124.6 | 121.5 | 123.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1132 | E | 36.7 | Very low | 37.5 | Very low | 198 Ų | 198 | 131.2 Ų | 131.2 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | | | trans | 51.1 | 137.7 | 135.7 | -58.5 | -179.2 | 141.3 | 0 | 0 | 121.3 | | |
| 1133 | G | 31.5 | Very low | 37.8 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | | | trans | 122.9 | 89.8 | 137.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1134 | E | 33 | Very low | 37.9 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | | | | 27.2 | 134.7 | 127.5 | -73.5 | -164 | 104.5 | 0 | 0 | 121.6 | | |
| 1135 | N | 30.5 | Very low | 37.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | | | trans | 77 | 123.4 | 140.9 | -74.2 | -48.4 | 0 | 0 | 0 | 120.8 | | |
| 1136 | A | 30.7 | Very low | 38 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | | | | 89.8 | 114.3 | 125.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1137 | V | 34.9 | Very low | 38.1 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | | | | 86.5 | 142.9 | 119.2 | 169.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1138 | E | 36.2 | Very low | 38.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | | | trans | 68.2 | 153.7 | 173.8 | -78.7 | 169.8 | -120.1 | 0 | 0 | 115 | K1140 | E1138-K1140 WeakPolarHBondContact OE2-CE 3.47Å; E1138-K1140 IonicContact OE2-NZ 3.77Å; E1138-K1140 PolarHBondContact OE2-NZ 2.88Å |
| 1139 | E | 38.2 | Very low | 38.5 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | cis | -146.3 | 113.2 | 19.9 | -167.4 | 155.1 | -162.6 | 0 | 0 | 109.5 | | |
| 1140 | K | 40.5 | Very low | 38.7 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | | | | 93.4 | 176.4 | 82.3 | -167.1 | -178.3 | -69.2 | 155.7 | 0 | 112.6 | E1138 | E1138-K1140 WeakPolarHBondContact OE2-CE 3.47Å; E1138-K1140 IonicContact OE2-NZ 3.77Å; E1138-K1140 PolarHBondContact OE2-NZ 2.88Å |
| 1141 | V | 41 | Very low | 38.4 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | | | trans | 82.5 | 124.4 | 166.2 | -178.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1142 | E | 43.4 | Very low | 38.9 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | | | cis | -156.3 | 146.7 | -7.9 | -120.7 | 170.1 | -170.3 | 0 | 0 | 112 | | |
| 1143 | E | 42.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 59% | 0.593 | 72% | 0.717 | S | S | * | * | | | trans | 36.6 | 153.6 | 135.7 | -71.8 | -173.1 | 118.8 | 0 | 0 | 123.5 | | |
| 1144 | K | 43.8 | Very low | 39.5 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 67% | 0.665 | 72% | 0.72 | S | S | * | * | | | cis | -148.6 | 149.1 | 14.6 | -106.5 | 131.3 | -177.1 | 137.6 | 0 | 108.5 | | |
| 1145 | K | 38.5 | Very low | 39.7 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | | | | 65.7 | 133.6 | 73.9 | -126.4 | -164.4 | 163.3 | -133.4 | 0 | 112.2 | | |
| 1146 | E | 43.6 | Very low | 40.4 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | cis | -146.3 | 154.3 | 36.3 | -58.9 | -167.5 | 110.1 | 0 | 0 | 116 | | |
| 1147 | E | 38.7 | Very low | 40.9 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | | | trans | -85.9 | 164.5 | 158.1 | -147.3 | -159.5 | 124.4 | 0 | 0 | 108.7 | | |
| 1148 | P | 47.9 | Very low | 41.1 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | | | | -160.3 | 170.7 | 82.6 | 44.2 | -24.9 | 0 | 0 | 0 | 117.8 | | |
| 1149 | E | 37.8 | Very low | 41.5 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | | | trans | 53.7 | 155.2 | 134 | -66.9 | 165.6 | 157.9 | 0 | 0 | 120.8 | | |
| 1150 | E | 42.3 | Very low | 41.9 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | | | cis | -151 | -170.1 | 10.4 | -140 | 176.7 | -179.9 | 0 | 0 | 111.7 | | |
| 1151 | K | 38.2 | Very low | 42.2 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | | | trans | -109.8 | -154.8 | -176.4 | -46.8 | 175.3 | -178.4 | 175 | 0 | 110.4 | | |
| 1152 | P | 47.6 | Very low | 42.5 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | | | cis | -135.6 | -150.5 | -20.8 | 24.4 | 3.5 | 0 | 0 | 0 | 112.3 | | |
| 1153 | V | 39.8 | Very low | 42.5 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | | | trans | 82.7 | 137.4 | 154.5 | 175.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1154 | E | 39.6 | Very low | 42.4 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | | | cis | -164.9 | 164.1 | -17.8 | -108.5 | 177.9 | 171.4 | 0 | 0 | 109.2 | | |
| 1155 | A | 38.3 | Very low | 42.3 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | 63 | 146.8 | 149 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1156 | E | 44.1 | Very low | 42.4 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | | | cis | -162.6 | 146.5 | -9.3 | -117.5 | -168.7 | 133.9 | 0 | 0 | 109.7 | | |
| 1157 | N | 42.6 | Very low | 42.2 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | 53.4 | 149.2 | 146 | -55.1 | -28.9 | 0 | 0 | 0 | 120.5 | | |
| 1158 | A | 39.2 | Very low | 42.5 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | | | cis | -179.4 | 159.9 | -9 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 1159 | S | 43.7 | Very low | 42.5 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | cis | -170.8 | -178.3 | -9.8 | 51.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1160 | S | 46.9 | Very low | 42.7 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | | | trans | 64.9 | 131.9 | 149.8 | 42.5 | 0 | 0 | 0 | 0 | 119 | | |
| 1161 | D | 45.8 | Very low | 42.7 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | cis | -151.6 | 148.1 | 1.6 | -87.3 | -32.6 | 0 | 0 | 0 | 111.9 | | |
| 1162 | E | 48.3 | Very low | 43.1 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | 40.4 | 148.8 | 132.1 | -53.8 | -168.4 | 123.6 | 0 | 0 | 122.1 | | |
| 1163 | N | 43.9 | Very low | 42.7 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | | | cis | -160.3 | 135.7 | -19 | -101.2 | -37.9 | 0 | 0 | 0 | 104.5 | | |
| 1164 | K | 39.8 | Very low | 42.7 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | | 78.3 | 151.3 | 54.6 | -135.9 | -161.1 | -176.7 | -92.7 | 0 | 114.7 | E1166 | K1164-E1166 IonicContact NZ-OE2 2.65Å; K1164-E1166 PolarHBondContact NZ-OE2 2.6Å |
| 1165 | E | 41.2 | Very low | 43 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | | | trans | 76.4 | 104 | -169.4 | -61.7 | -177.2 | 106.5 | 0 | 0 | 113 | | |
| 1166 | E | 41.3 | Very low | 43.3 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | | | cis | 92.3 | 141 | 21.2 | -152.5 | -179.7 | 157.2 | 0 | 0 | 114.4 | K1164 | K1164-E1166 IonicContact NZ-OE2 2.65Å; K1164-E1166 PolarHBondContact NZ-OE2 2.6Å |
| 1167 | Q | 40.1 | Very low | 43.5 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 78.6 | 116.5 | -176.5 | -52 | 171.1 | 31 | 0 | 0 | 114 | | |
| 1168 | L | 44.4 | Very low | 43.8 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | | 68.2 | 142.1 | 51.2 | -73.9 | 172.5 | 0 | 0 | 0 | 114.1 | | |
| 1169 | P | 47.1 | Very low | 44.2 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | | -127.4 | 165.9 | -117.5 | 42.1 | -30.8 | 0 | 0 | 0 | 115.8 | | |
| 1170 | E | 41.7 | Very low | 44.5 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | -138.7 | 153.1 | 163.2 | -66.5 | -171.4 | 135.8 | 0 | 0 | 109.9 | | |
| 1171 | E | 44.2 | Very low | 45.1 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -92.3 | -155.8 | -179 | -51.8 | -169.9 | 121.4 | 0 | 0 | 112.6 | | |
| 1172 | P | 45.8 | Very low | 45.5 | Very low | 105 Ų | 105 | 155.7 Ų | 155.7 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | | | | -117 | 162.6 | -124 | 32.2 | -11.6 | 0 | 0 | 0 | 114.6 | | |
| 1173 | N | 39.2 | Very low | 45.9 | Very low | 149 Ų | 149 | 156 Ų | 156 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -178.9 | 168.5 | 137.8 | -110.7 | -68.3 | 0 | 0 | 0 | 116.1 | | |
| 1174 | T | 40.2 | Very low | 46.2 | Very low | 113 Ų | 113 | 158.3 Ų | 158.3 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | | | trans | 67.6 | 100.9 | 152.2 | 43.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1175 | E | 45.9 | Very low | 46.5 | Very low | 163 Ų | 163 | 155 Ų | 155 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | | 69.3 | 110.6 | 100.9 | -169 | 177.5 | -130.6 | 0 | 0 | 121.3 | | |
| 1176 | M | 44.3 | Very low | 46.9 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | | 179.8 | 113.1 | 128.4 | -101.7 | 171 | -80.7 | 0 | 0 | 109.5 | | |
| 1177 | E | 47 | Very low | 47.2 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | | 68.1 | 106.9 | 95.8 | -79.5 | -151.6 | 100.8 | 0 | 0 | 116.9 | | |
| 1178 | E | 49 | Very low | 47.6 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | | -158.6 | 98.8 | 124.4 | -120.5 | -174.3 | 167.2 | 0 | 0 | 114.7 | | |
| 1179 | K | 48 | Very low | 47.8 | Very low | 177 Ų | 177 | 151 Ų | 151 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 40.1 | 129.1 | 144.9 | -74.2 | 177.8 | 174.7 | 171.3 | 0 | 124.5 | | |
| 1180 | P | 51.4 | Low | 47.6 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -101.3 | 172.5 | 143.5 | 38 | -30.9 | 0 | 0 | 0 | 113.6 | | |
| 1181 | E | 59 | Low | 48.1 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -120.2 | 132.7 | 168.8 | -67.1 | -173.8 | 146.8 | 0 | 0 | 109.1 | | |
| 1182 | N | 54.3 | Low | 48.1 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | cis | 83.9 | 117.4 | 43.7 | 177.6 | 101.3 | 0 | 0 | 0 | 111.9 | | |
| 1183 | E | 55.1 | Low | 48.1 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | | | cis | -108.1 | -153.2 | 13.6 | -57.2 | -175.6 | -146 | 0 | 0 | 110.7 | | |
| 1184 | E | 51.9 | Low | 48.3 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | cis | -158.3 | 137.4 | 8.9 | -164.7 | 178.4 | 168.3 | 0 | 0 | 111.6 | | |
| 1185 | A | 46 | Very low | 48.6 | Very low | 86 Ų | 86 | 148.3 Ų | 148.3 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 50.7 | 121.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 1186 | E | 49 | Very low | 48.6 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | cis | -147.3 | -160.5 | 3.1 | -54.6 | -171.3 | 117.8 | 0 | 0 | 108.7 | | |
| 1187 | N | 48.6 | Very low | 48.7 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | | | cis | -156.3 | -156.2 | 0.9 | -144.6 | -40.4 | 0 | 0 | 0 | 112.1 | | |
| 1188 | T | 47.3 | Very low | 48.3 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -71.2 | 158.7 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 116 | | |
| 1189 | E | 49.1 | Very low | 48.3 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | cis | -151.7 | 163.5 | 5.3 | -132.5 | 168.2 | 140.7 | 0 | 0 | 112.7 | | |
| 1190 | N | 41.8 | Very low | 48 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | -123.5 | 171 | 172.6 | -119.3 | -61.5 | 0 | 0 | 0 | 107.1 | | |
| 1191 | P | 52.7 | Low | 47.8 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | cis | -153.9 | 151.5 | 40.8 | 41.6 | -19.1 | 0 | 0 | 0 | 120.3 | | |
| 1192 | S | 44.7 | Very low | 47.1 | Very low | 87 Ų | 87 | 146 Ų | 146 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | | 31.6 | 134.7 | 124.7 | 100.6 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1193 | K | 46 | Very low | 46.5 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | | 98.2 | 121.1 | 128.6 | -76.6 | 176.8 | 160.6 | -81.4 | 0 | 124.2 | | |
| 1194 | D | 42 | Very low | 46 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | | | | 68.8 | 155.8 | 123 | -48.8 | -13 | 0 | 0 | 0 | 122.6 | | |
| 1195 | E | 48 | Very low | 45.3 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | trans | 67.3 | 104.1 | -178.9 | -59.6 | -177.7 | 171.6 | 0 | 0 | 114.5 | | |
| 1196 | E | 45.9 | Very low | 45.2 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | | 81.4 | 153.2 | 67.4 | -169.7 | 174.4 | -152.1 | 0 | 0 | 113.5 | | |
| 1197 | V | 45 | Very low | 44.7 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | 92.7 | 114.5 | 175 | -172.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1198 | C | 38.6 | Very low | 44.4 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | | | trans | -71.4 | 147.7 | 169.2 | -38.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1199 | Y | 49.2 | Very low | 44.1 | Very low | 227 Ų | 227 | 146.7 Ų | 146.7 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | | -172.5 | 147.8 | 124.5 | -114.2 | -76.7 | 0 | 0 | 0 | 110.4 | | |
| 1200 | D | 42.2 | Very low | 44 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -65.9 | 175.8 | 175.3 | -75.7 | -73 | 0 | 0 | 0 | 114.9 | | |
| 1201 | H | 48.1 | Very low | 44 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | 99.6 | 139.7 | 144.7 | -103.8 | 63.9 | 0 | 0 | 0 | 120.4 | | |
| 1202 | I | 43.1 | Very low | 43.3 | Very low | 154 Ų | 154 | 149 Ų | 149 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | 86.9 | 83.5 | 162.5 | -54.5 | 153.7 | 0 | 0 | 0 | 117.6 | | |
| 1203 | R | 43.1 | Very low | 43.9 | Very low | 207 Ų | 207 | 150.8 Ų | 150.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | | 41.7 | 149.6 | 126.6 | -81 | -170.2 | 176.4 | -170 | 0.8 | 122.6 | | |
| 1204 | P | 44.1 | Very low | 43.8 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | trans | -96.1 | 175 | -164.7 | 40.6 | -39.5 | 0 | 0 | 0 | 115 | | |
| 1205 | H | 37.8 | Very low | 43.9 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | | -178.4 | 157.5 | 129.9 | -104.2 | -66.6 | 0 | 0 | 0 | 115 | | |
| 1206 | V | 42.7 | Very low | 44.1 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | | | trans | 74.2 | 100 | 162.1 | -145.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1207 | A | 38.8 | Very low | 43.8 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | 20.2 | 139.8 | 140.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1208 | S | 43.1 | Very low | 43.5 | Very low | 124 Ų | 124 | 146 Ų | 146 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | | -150.4 | 165.8 | 129.2 | -160.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1209 | T | 40.6 | Very low | 43.5 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -108.7 | 132.8 | -163.1 | 54 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1210 | V | 45.9 | Very low | 43.4 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | -145 | 95.6 | 155.6 | -174.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1211 | Q | 42.9 | Very low | 43.5 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | | 80.2 | 98 | 71.3 | -172.1 | 156.2 | 73.4 | 0 | 0 | 113.9 | | |
| 1212 | Q | 38.4 | Very low | 44 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 71% | 0.71 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 157.7 | 173.9 | -59.5 | 171.5 | -68 | 0 | 0 | 113.2 | | |
| 1213 | P | 57.4 | Low | 44 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | | -91.5 | 136.8 | 129.8 | 33.9 | -27.1 | 0 | 0 | 0 | 110.8 | | |
| 1214 | Q | 43.6 | Very low | 43.9 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 156 | 173.5 | -77.9 | -174.1 | -35.6 | 0 | 0 | 111.7 | | |
| 1215 | P | 44.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 166.4 | 175 | 30.9 | -36.5 | 0 | 0 | 0 | 112.3 | | |
| 1216 | S | 52.4 | Low | 44.9 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -148.8 | 128.4 | 168.3 | -71.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1217 | T | 38.1 | Very low | 45.7 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -73.7 | 137.2 | -170.9 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1218 | V | 40.1 | Very low | 46.2 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | | | trans | -140.2 | 130.7 | 149.1 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1219 | T | 38.6 | Very low | 46.4 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | | | trans | -85.9 | 132.8 | 179.7 | -50.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1220 | A | 45.3 | Very low | 46.5 | Very low | 88 Ų | 88 | 149.1 Ų | 149.1 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | trans | -159.4 | 143.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1221 | E | 46.2 | Very low | 46.6 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | | | trans | -75.9 | 144.9 | 178.9 | -64.9 | 135.5 | 121.4 | 0 | 0 | 112.3 | | |
| 1222 | P | 56.8 | Low | 46.8 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | | | trans | -96.6 | 102.4 | 156.3 | 33.3 | -24.3 | 0 | 0 | 0 | 109.9 | | |
| 1223 | E | 43.1 | Very low | 47 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | | | trans | -63.9 | 139.8 | 165.7 | -77.2 | -176.5 | 110.9 | 0 | 0 | 110.5 | | |
| 1224 | L | 42.2 | Very low | 46.3 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | | | trans | -77.4 | 124.3 | 171.1 | -71.9 | 166.7 | 0 | 0 | 0 | 110 | | |
| 1225 | T | 44.8 | Very low | 46.6 | Very low | 125 Ų | 125 | 151 Ų | 151 | 77% | 0.767 | 83% | 0.833 | S | S | * | * | | | trans | -135.7 | 126.5 | 160.6 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1226 | P | 57.8 | Low | 46.7 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 161.8 | 175.1 | 29.9 | -35.2 | 0 | 0 | 0 | 111.5 | K1228 | P1226-K1228 PolarHBondContact O-N 3.39Å; P1226-K1228 VanDerWaalsContact O-N 3.15Å |
| 1227 | P | 60.2 | Low | 46.3 | Very low | 135 Ų | 135 | 154 Ų | 154 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 118.3 | 174.4 | 26.9 | -34.2 | 0 | 0 | 0 | 110 | | |
| 1228 | K | 49.1 | Very low | 46.7 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 131 | 176.7 | -173.4 | 172.1 | -176.5 | 171.7 | 0 | 109.7 | P1226 | P1226-K1228 PolarHBondContact O-N 3.39Å; P1226-K1228 VanDerWaalsContact O-N 3.15Å |
| 1229 | E | 46.6 | Very low | 47.1 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135.7 | 174.8 | -63.5 | -179.8 | 111.3 | 0 | 0 | 111.4 | E1231 | E1229-E1231 PolarHBondContact O-N 2.99Š|
| 1230 | E | 43.7 | Very low | 47.4 | Very low | 196 Ų | 196 | 153 Ų | 153 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | -86.2 | 89.3 | 173.2 | -71.8 | -168.4 | 115.8 | 0 | 0 | 110.4 | E1232 | E1230-E1232 PolarHBondContact O-N 3.01Š|
| 1231 | E | 47.4 | Very low | 47.5 | Very low | 172 Ų | 172 | 155.2 Ų | 155.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -78.8 | 107.1 | 165 | -166.8 | 179.9 | -157 | 0 | 0 | 109.9 | E1229 Q1233 | E1229-E1231 PolarHBondContact O-N 2.99Å; E1231-Q1233 PolarHBondContact O-N 3.16Å |
| 1232 | E | 46.9 | Very low | 47.7 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -79.1 | 84.5 | -174.1 | -168.5 | -177.3 | -171.6 | 0 | 0 | 112.5 | E1230 | E1230-E1232 PolarHBondContact O-N 3.01Š|
| 1233 | Q | 43.7 | Very low | 47.3 | Very low | 169 Ų | 169 | 155 Ų | 155 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -103.1 | 93.8 | 175.2 | -162.3 | 171.3 | 93 | 0 | 0 | 112.9 | E1231 E1235 | E1231-Q1233 PolarHBondContact O-N 3.16Å; Q1233-E1235 PolarHBondContact O-N 3.15Å |
| 1234 | A | 42.6 | Very low | 47.4 | Very low | 95 Ų | 95 | 151 Ų | 151 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -92.9 | 81.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1235 | E | 48.3 | Very low | 47.4 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -82.8 | 131.7 | 167.6 | -172.3 | -171.1 | -142 | 0 | 0 | 111.7 | Q1233 | Q1233-E1235 PolarHBondContact O-N 3.15Š|
| 1236 | K | 47.3 | Very low | 47.6 | Very low | 174 Ų | 174 | 148 Ų | 148 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | -172.9 | 140.6 | 153.5 | -110.4 | 177.7 | -162.5 | 85.4 | 0 | 115.8 | | |
| 1237 | D | 43.5 | Very low | 47.3 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 59.9 | 139.2 | 146.5 | -54.3 | -27.1 | 0 | 0 | 0 | 119.9 | | |
| 1238 | E | 46.5 | Very low | 46.4 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | cis | -158.8 | 147.5 | -0.7 | -130 | -171.4 | 163.6 | 0 | 0 | 112.9 | | |
| 1239 | D | 48.1 | Very low | 45.8 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 53% | 0.529 | 77% | 0.766 | S | S | . | * | | | trans | 28.2 | 126.6 | 150.9 | -166.5 | 27.4 | 0 | 0 | 0 | 121.1 | K1241 | D1239-K1241 IonicContact OD1-NZ 3.16Å; D1239-K1241 PolarHBondContact OD1-NZ 3.17Å; D1239-K1241 IonicContact OD2-NZ 3.61Å; D1239-K1241 PolarHBondContact OD2-NZ 3.41Å |
| 1240 | N | 44.9 | Very low | 45.5 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | | -174.8 | 84.8 | 111.5 | -98.7 | -77.6 | 0 | 0 | 0 | 118.2 | | |
| 1241 | K | 47.2 | Very low | 45.2 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 58% | 0.578 | 76% | 0.758 | S | S | * | * | | | | 52.3 | 99.2 | 114.6 | -172.9 | -166.2 | -66.4 | 72.8 | 0 | 120.7 | D1239 | D1239-K1241 IonicContact OD1-NZ 3.16Å; D1239-K1241 PolarHBondContact OD1-NZ 3.17Å; D1239-K1241 IonicContact OD2-NZ 3.61Å; D1239-K1241 PolarHBondContact OD2-NZ 3.41Å |
| 1242 | A | 50.3 | Low | 44.9 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | | | trans | -144.4 | 130.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1243 | K | 50.1 | Low | 44.5 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | -98.3 | 149.5 | -169.6 | -57.6 | 169 | 178.9 | 176.1 | 0 | 113.4 | | |
| 1244 | S | 44.1 | Very low | 44.3 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | | -179.6 | 99.4 | 117.6 | 177.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1245 | T | 42.8 | Very low | 44 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | | 65.2 | 126.5 | 125.1 | -23.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1246 | P | 49.5 | Very low | 43.3 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -99.1 | -160.2 | 178.9 | 43.9 | -38.6 | 0 | 0 | 0 | 113.1 | | |
| 1247 | P | 50.9 | Low | 42.8 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | | -163.4 | 178 | 76.5 | 46.2 | -24.2 | 0 | 0 | 0 | 120.6 | | |
| 1248 | T | 41.2 | Very low | 42.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | | | trans | 88.4 | 93.5 | 145.4 | -46.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1249 | T | 36.1 | Very low | 42 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | 14.4 | 145.4 | 132.3 | 63.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1250 | T | 41.7 | Very low | 41.4 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | | -159.5 | 144 | 120.2 | -67.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1251 | S | 36.6 | Very low | 41 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -98.6 | 154 | -179.7 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1252 | V | 40.3 | Very low | 40.5 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | -135.3 | 139.7 | 160.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1253 | E | 39.3 | Very low | 40 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -117.7 | 136.3 | -174.9 | 172.8 | -177.2 | -145.9 | 0 | 0 | 107.6 | V1255 | E1253-V1255 HydrophobicContact CG-CG2 4.41Š|
| 1254 | V | 38.6 | Very low | 39.4 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | -135.7 | 136 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1255 | V | 37.8 | Very low | 39 | Very low | 116 Ų | 116 | 133 Ų | 133 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | | | trans | -113.3 | 147.4 | -161.1 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | E1253 | E1253-V1255 HydrophobicContact CG-CG2 4.41Š|
| 1256 | V | 32.6 | Very low | 38.7 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -38.3 | 138.7 | 171.2 | -179.8 | 0 | 0 | 0 | 0 | 114.7 | N1258 | V1256-N1258 HydrophobicContact CG1-CB 4.44Š|
| 1257 | V | 36.9 | Very low | 38 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | -135.9 | 109.9 | 139.3 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1258 | N | 32.1 | Very low | 37.3 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -99.1 | 138.9 | 164.4 | -174.4 | 3 | 0 | 0 | 0 | 107.9 | V1256 | V1256-N1258 HydrophobicContact CG1-CB 4.44Š|
| 1259 | T | 40.9 | Very low | 37 | Very low | 110 Ų | 110 | 136 Ų | 136 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | trans | -144 | 103.2 | 177.4 | -39.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1260 | Q | 36.3 | Very low | 37 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -72.8 | 150.3 | 164.3 | -73.6 | 179.5 | -18 | 0 | 0 | 110.6 | | |
| 1261 | I | 36.4 | Very low | 36.7 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -128.1 | 123.1 | 154.1 | -62.1 | 179.8 | 0 | 0 | 0 | 106.2 | | |
| 1262 | N | 36.9 | Very low | 36.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -130.2 | 132.7 | 176.9 | -175.7 | -6.5 | 0 | 0 | 0 | 108.7 | | |
| 1263 | A | 39.2 | Very low | 36.7 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -158.1 | 101.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1264 | Q | 38 | Very low | 36.7 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | | 59.9 | 90.7 | 75.9 | -67.2 | -161.9 | -21.1 | 0 | 0 | 115.2 | | |
| 1265 | N | 35.7 | Very low | 36.7 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | trans | -166.2 | 109.5 | 130.8 | -102.1 | -9.9 | 0 | 0 | 0 | 105.5 | | |
| 1266 | T | 36.1 | Very low | 36.6 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | | 81.1 | 134 | 52.1 | -52 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1267 | Q | 33.8 | Very low | 36.9 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -85.4 | -168.3 | -155.7 | -59.4 | 165.4 | -32.7 | 0 | 0 | 114.9 | | |
| 1268 | I | 37.6 | Very low | 36.9 | Very low | 171 Ų | 171 | 137 Ų | 137 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | 86.7 | 126.2 | 171.7 | -47.4 | 157.3 | 0 | 0 | 0 | 113.4 | | |
| 1269 | G | 35 | Very low | 37 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | | | cis | 151.5 | 140.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1270 | V | 36.3 | Very low | 37 | Very low | 151 Ų | 151 | 133 Ų | 133 | 92% | 0.915 | 78% | 0.781 | S | S | * | * | | | trans | 72.5 | 140.5 | 163.9 | -175 | 0 | 0 | 0 | 0 | 118 | | |
| 1271 | A | 35.3 | Very low | 37.4 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | | | trans | 71 | 104.6 | 159 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1272 | E | 38.6 | Very low | 37.5 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | | 91.7 | 122.9 | 101.3 | -157.8 | 171.3 | -162.7 | 0 | 0 | 122.3 | | |
| 1273 | I | 37.3 | Very low | 37.9 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | trans | 74 | 108.1 | 147.1 | -74.9 | 173.5 | 0 | 0 | 0 | 122.6 | | |
| 1274 | V | 38.7 | Very low | 37.8 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | | 71 | 133.5 | 129.5 | 177.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1275 | P | 39.5 | Very low | 38.2 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -91.7 | 169.6 | -177.3 | 38.1 | -38.3 | 0 | 0 | 0 | 114.4 | | |
| 1276 | S | 35.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -145.4 | 144.6 | 161.4 | -160.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1277 | V | 37.7 | Very low | 38.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | | | trans | -87.1 | 150.2 | -171 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1278 | Q | 37.3 | Very low | 39 | Very low | 187 Ų | 187 | 129.5 Ų | 129.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | | 160.1 | 121.9 | 128.4 | -84.6 | 173.7 | 29.5 | 0 | 0 | 112.9 | | |
| 1279 | G | 33.6 | Very low | 38.9 | Very low | 81 Ų | 81 | 131 Ų | 131 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -95.1 | -165 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1280 | A | 41.6 | Very low | 39.3 | Very low | 81 Ų | 81 | 135 Ų | 135 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | trans | -162.4 | 120.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1281 | K | 44.3 | Very low | 39.5 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | 69 | 105.3 | 142.8 | -59.8 | 152.5 | -165.5 | 159.9 | 0 | 117.5 | | |
| 1282 | H | 38.3 | Very low | 39.9 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | | 78.3 | 114.8 | 58.4 | -174.5 | -1.5 | 0 | 0 | 0 | 114.2 | | |
| 1283 | I | 45.1 | Very low | 39.7 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -162.3 | 121.7 | 149.4 | -96.5 | 146.9 | 0 | 0 | 0 | 108.6 | | |
| 1284 | E | 38.1 | Very low | 39.6 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -105.3 | -175.8 | 169 | -137 | -134.3 | 117.3 | 0 | 0 | 106.9 | T1286 | E1284-T1286 PolarHBondContact OE1-N 3.41Š|
| 1285 | P | 45.7 | Very low | 39.5 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 62% | 0.623 | 79% | 0.792 | S | S | * | * | | | cis | -154.9 | -177.4 | 30.9 | 43.4 | -19.6 | 0 | 0 | 0 | 121.4 | | |
| 1286 | T | 40.9 | Very low | 39.3 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | | | trans | 83.4 | 130.2 | 144.1 | 40.5 | 0 | 0 | 0 | 0 | 122.9 | E1284 | E1284-T1286 PolarHBondContact OE1-N 3.41Š|
| 1287 | P | 40.4 | Very low | 40 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -103.7 | 177 | 174.3 | 41.3 | -36.7 | 0 | 0 | 0 | 114.9 | | |
| 1288 | A | 41.7 | Very low | 40.3 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -139.7 | 128.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1289 | K | 35.1 | Very low | 40.2 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -94.7 | 136.7 | -177.7 | -58.9 | 174.4 | 178.3 | -179.8 | 0 | 112.6 | | |
| 1290 | T | 43.8 | Very low | 40.5 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | -152.8 | 101.2 | 152.9 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1291 | T | 41.3 | Very low | 40.5 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | | | trans | -93.2 | 141.1 | 157.4 | -24 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1292 | P | 42.3 | Very low | 40.4 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | | -146.9 | 130.4 | 111.3 | 29.9 | -10.9 | 0 | 0 | 0 | 113.7 | | |
| 1293 | R | 33.9 | Very low | 40.5 | Very low | 231 Ų | 231 | 137.3 Ų | 137.3 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | | | | 85 | 145.6 | 73.8 | -163.5 | -170.4 | -167.3 | 172.3 | 6.4 | 113.4 | | |
| 1294 | V | 35.2 | Very low | 40.4 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 62% | 0.624 | 76% | 0.755 | S | S | * | * | | | trans | 112.3 | 95.4 | 156.5 | -173.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1295 | R | 38.4 | Very low | 40.5 | Very low | 232 Ų | 232 | 134.9 Ų | 134.9 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | | | trans | 77.6 | 124.2 | 137.9 | -69.2 | 174.3 | -175.1 | 143.8 | -1.5 | 124.1 | | |
| 1296 | C | 35.2 | Very low | 40.4 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -90 | -177.9 | 143.1 | -39 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1297 | P | 50.7 | Low | 40.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | cis | -107.1 | -97.9 | -34.4 | 19 | 3.7 | 0 | 0 | 0 | 109.9 | | |
| 1298 | P | 42.5 | Very low | 40.4 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | cis | -116.3 | -153.9 | -0.6 | 44.9 | -30.5 | 0 | 0 | 0 | 113.7 | | |
| 1299 | S | 36.3 | Very low | 40.6 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -105.5 | 179.1 | -167.9 | -37.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1300 | D | 40.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | 98 | 108.4 | 135.9 | -84.3 | -4.6 | 0 | 0 | 0 | 124.8 | | |
| 1301 | K | 41.1 | Very low | 40.8 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | | 91.8 | 136.2 | 111.7 | -79.3 | 175.6 | 177 | 90.5 | 0 | 125.2 | | |
| 1302 | H | 41.8 | Very low | 40.8 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | trans | 72 | 164.1 | 146.3 | -59.6 | -33.4 | 0 | 0 | 0 | 118.9 | | |
| 1303 | A | 40.2 | Very low | 40.6 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | cis | -152.1 | 142.5 | 12.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1304 | V | 43.8 | Very low | 40.7 | Very low | 117 Ų | 117 | 125 Ų | 125 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | | | | 82.2 | 129.4 | 81.1 | 172.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1305 | N | 40.4 | Very low | 40.6 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | 161.9 | 142 | 136.2 | -90.2 | -42.4 | 0 | 0 | 0 | 110.7 | | |
| 1306 | V | 42.2 | Very low | 40.4 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | cis | -154.1 | 165.5 | -6.4 | -94.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1307 | G | 39.4 | Very low | 40.4 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | cis | 119.5 | 92 | 4.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1308 | G | 43.2 | Very low | 39.8 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -138.2 | 42 | -155.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1309 | Q | 46 | Very low | 39.6 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | 70.7 | 135.1 | 149.9 | -69.9 | -168.5 | 18.1 | 0 | 0 | 124.1 | | |
| 1310 | N | 45.1 | Very low | 39.8 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | | | trans | 75.6 | 145.9 | 145.2 | -56.7 | -20.7 | 0 | 0 | 0 | 119.9 | | |
| 1311 | C | 37.9 | Very low | 39.3 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | cis | -172.8 | 148.9 | -21.9 | -109.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1312 | G | 39.5 | Very low | 39 | Very low | 65 Ų | 65 | 128.6 Ų | 128.6 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | | | trans | 126.4 | 88.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1313 | N | 39.8 | Very low | 38.6 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | | 56.3 | 113 | 125.2 | -75 | 51.1 | 0 | 0 | 0 | 123.6 | | |
| 1314 | E | 35 | Very low | 38.2 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | | 101.6 | 92.9 | 102.7 | -164.2 | 161.9 | -163.1 | 0 | 0 | 121.4 | | |
| 1315 | K | 33.6 | Very low | 37.8 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | 37.9 | 125.4 | 131.6 | -56.1 | 176.4 | 179 | 178.6 | 0 | 120.2 | | |
| 1316 | Q | 33.4 | Very low | 37.3 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | | -179 | 138.8 | 102.5 | -99.5 | 171.8 | 73.6 | 0 | 0 | 115 | | |
| 1317 | V | 35.6 | Very low | 36.7 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | 37.4 | 119 | 138.4 | -174.3 | 0 | 0 | 0 | 0 | 120 | | |
| 1318 | G | 38.4 | Very low | 36.5 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | 177 | 110.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1319 | T | 37.5 | Very low | 36.1 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -100.7 | 179.9 | 161.1 | 51.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1320 | P | 41.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | cis | -141.4 | -172.2 | 9.4 | 41.1 | -20.4 | 0 | 0 | 0 | 116.8 | | |
| 1321 | T | 30.9 | Very low | 35.8 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | 66.5 | 155.9 | 159.4 | 35.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1322 | Q | 33.3 | Very low | 36 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | cis | -141 | 154.1 | 9.7 | -148.5 | 171.9 | 22.9 | 0 | 0 | 111.4 | | |
| 1323 | K | 34.1 | Very low | 36.2 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | trans | -90.1 | 143.5 | 167 | -66 | -178.1 | 178.5 | -176.9 | 0 | 109.9 | | |
| 1324 | R | 32.3 | Very low | 36.2 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -153 | 149.4 | 139.8 | -149.3 | 166.4 | -175.5 | 161.3 | 1.4 | 111.8 | | |
| 1325 | T | 34.3 | Very low | 36.8 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -129.3 | 171.9 | -178.4 | -49.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1326 | R | 29.9 | Very low | 37.5 | Very low | 226 Ų | 226 | 152.1 Ų | 152.1 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | 95.4 | 148.3 | 175.1 | -60.7 | -161.9 | 174.1 | -178.3 | -2.6 | 113.7 | | |
| 1327 | I | 30.7 | Very low | 38.5 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | cis | 169.8 | 157.7 | -21.7 | -106.1 | 165.6 | 0 | 0 | 0 | 103.6 | | |
| 1328 | T | 35.2 | Very low | 39.8 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | | | trans | -28.5 | 163.5 | 168.1 | 8.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1329 | T | 35 | Very low | 41.6 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | cis | -169.3 | 163.2 | 42.5 | -21.6 | 0 | 0 | 0 | 0 | 115 | | |
| 1330 | A | 35.1 | Very low | 43.5 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | 67.6 | 106.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 1331 | A | 49.1 | Very low | 45.5 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | | | | 35.5 | 154.3 | 122.2 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 1332 | P | 42.8 | Very low | 47.9 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | | -153.8 | 179.2 | 90 | 41 | -22.8 | 0 | 0 | 0 | 117.9 | | |
| 1333 | K | 43.6 | Very low | 50.2 | Low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | | | trans | 91.7 | 89.7 | 160.8 | -64.3 | -175 | 179.1 | -179.5 | 0 | 120.4 | | |
| 1334 | K | 40 | Very low | 52.5 | Low | 216 Ų | 216 | 140.4 Ų | 140.4 | 94% | 0.939 | 71% | 0.707 | S | S | * | * | | | | 28.8 | 96 | 128.1 | -62.5 | -171.9 | 178.2 | -172.6 | 0 | 117.5 | | |
| 1335 | Q | 47.4 | Very low | 54.9 | Low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | | | trans | -126.6 | 122 | 140.5 | -163.6 | 172.3 | 13 | 0 | 0 | 107.1 | N1337 | Q1335-N1337 VanDerWaalsContact C-N 3.31Å; Q1335-N1337 PolarHBondContact O-N 3.07Å |
| 1336 | Q | 47.5 | Very low | 57.2 | Low | 198 Ų | 198 | 135.8 Ų | 135.8 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | | | trans | -70.6 | 93.5 | 172.2 | -88.5 | 177.5 | -60.4 | 0 | 0 | 108.1 | S1338 | Q1336-S1338 PolarHBondContact O-N 3.46Š|
| 1337 | N | 54.1 | Low | 59.5 | Low | 117 Ų | 117 | 131.3 Ų | 131.3 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | | | trans | -64.5 | 88.5 | 163.2 | -83.6 | -41.7 | 0 | 0 | 0 | 107.8 | Q1335 F1339 | Q1335-N1337 VanDerWaalsContact C-N 3.31Å; Q1335-N1337 PolarHBondContact O-N 3.07Å; N1337-F1339 PolarHBondContact O-N 3.33Å; N1337-F1339 VanDerWaalsContact O-N 3.1Å |
| 1338 | S | 63.1 | Low | 62 | Low | 65 Ų | 65 | 130.3 Ų | 130.3 | 46% | 0.455 | 70% | 0.703 | S | S | . | * | | | trans | -52.4 | 118.9 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | Q1336 F1340 G1341 K1342 | Q1336-S1338 PolarHBondContact O-N 3.46Å; S1338-F1340 PolarHBondContact O-N 3.27Å; S1338-G1341 WeakPolarHBondContact O-CA 3.06Å; S1338-G1341 PolarHBondContact O-N 2.97Å; S1338-G1341 PolarHBondContact OG-N 2.99Å; S1338-K1342 PolarHBondContact O-N 3.06Å |
| 1339 | F | 77.2 | Confident | 63.3 | Low | 158 Ų | 158 | 131 Ų | 131 | 69% | 0.693 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -56.1 | -43.9 | 176.6 | -175.8 | -98.7 | 0 | 0 | 0 | 110 | N1337 G1341 K1342 L1343 | N1337-F1339 PolarHBondContact O-N 3.33Å; N1337-F1339 VanDerWaalsContact O-N 3.1Å; F1339-G1341 VanDerWaalsContact C-N 3.29Å; F1339-G1341 PolarHBondContact O-N 3.27Å; F1339-K1342 PolarHBondContact O-N 2.98Å; F1339-L1343 WeakPolarHBondContact O-CB 3.36Å; F1339-L1343 PolarHBondContact O-N 2.83Å |
| 1340 | F | 77.8 | Confident | 64.8 | Low | 123 Ų | 123 | 131.4 Ų | 131.4 | 54% | 0.539 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -57.2 | -35.2 | 171.3 | -72.4 | -84.4 | 0 | 0 | 0 | 113.9 | S1338 L1343 W1344 | S1338-F1340 PolarHBondContact O-N 3.27Å; F1340-L1343 PolarHBondContact O-N 3.03Å; F1340-W1344 WeakPolarHBondContact O-CB 3.27Å; F1340-W1344 PolarHBondContact O-N 2.65Å |
| 1341 | G | 81.4 | Confident | 66.5 | Low | 41 Ų | 41 | 134.1 Ų | 134.1 | 42% | 0.423 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -67.5 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1338 F1339 S1345 | S1338-G1341 WeakPolarHBondContact O-CA 3.06Å; S1338-G1341 PolarHBondContact O-N 2.97Å; S1338-G1341 PolarHBondContact OG-N 2.99Å; F1339-G1341 VanDerWaalsContact C-N 3.29Å; F1339-G1341 PolarHBondContact O-N 3.27Å; G1341-S1345 WeakPolarHBondContact O-CB 3.09Å; G1341-S1345 PolarHBondContact O-N 3.42Å |
| 1342 | K | 82.7 | Confident | 67.5 | Low | 139 Ų | 139 | 136.3 Ų | 136.3 | 60% | 0.604 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -71.2 | -35.3 | 171.6 | -72.6 | -172.3 | 175.2 | -175.3 | 0 | 112.2 | S1338 F1339 S1345 Y1346 | S1338-K1342 PolarHBondContact O-N 3.06Å; F1339-K1342 PolarHBondContact O-N 2.98Å; K1342-S1345 PolarHBondContact O-N 2.85Å; K1342-Y1346 PolarHBondContact O-N 3.49Å |
| 1343 | L | 81.1 | Confident | 69 | Low | 45 Ų | 45 | 137.4 Ų | 137.4 | 24% | 0.236 | 69% | 0.69 | C | S | . | * | H | α-helix | trans | -66.6 | -47.1 | 177.7 | -159.4 | 70.3 | 0 | 0 | 0 | 111.3 | F515 F1339 F1340 S1345 Y1346 F1347 | F515-L1343 HydrophobicContact CE2-CD2 4.13Å; F515-L1343 HydrophobicContact CZ-CD2 4.37Å; F1339-L1343 WeakPolarHBondContact O-CB 3.36Å; F1339-L1343 PolarHBondContact O-N 2.83Å; F1340-L1343 PolarHBondContact O-N 3.03Å; L1343-S1345 PolarHBondContact O-N 3.07Å; L1343-Y1346 WeakPolarHBondContact O-CB 3.06Å; L1343-Y1346 PolarHBondContact O-N 3.31Å; L1343-F1347 HydrophobicContact CD1-CE2 4.14Å; L1343-F1347 HydrophobicContact CG-CD2 4.13Å; L1343-F1347 HydrophobicContact CG-CE2 4.02Å; L1343-F1347 WeakPolarHBondContact O-CD2 3.18Å; L1343-F1347 PolarHBondContact O-N 2.7Å |
| 1344 | W | 81.3 | Confident | 70.7 | Confident | 212 Ų | 212 | 133.7 Ų | 133.7 | 80% | 0.803 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -58.9 | -44.5 | 173.3 | -100.4 | 51.8 | 0 | 0 | 0 | 112.1 | F1340 Y1346 F1347 G1348 | F1340-W1344 WeakPolarHBondContact O-CB 3.27Å; F1340-W1344 PolarHBondContact O-N 2.65Å; W1344-Y1346 PolarHBondContact O-N 2.83Å; W1344-F1347 PolarHBondContact O-N 2.74Å; W1344-F1347 VanDerWaalsContact O-N 3.08Å; W1344-G1348 PolarHBondContact O-N 3.37Å |
| 1345 | S | 83.7 | Confident | 72.9 | Confident | 95 Ų | 95 | 127.9 Ų | 127.9 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.8 | 5 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 114.6 | G1341 K1342 L1343 | G1341-S1345 WeakPolarHBondContact O-CB 3.09Å; G1341-S1345 PolarHBondContact O-N 3.42Å; K1342-S1345 PolarHBondContact O-N 2.85Å; L1343-S1345 PolarHBondContact O-N 3.07Å |
| 1346 | Y | 83.4 | Confident | 74.9 | Confident | 175 Ų | 175 | 124.5 Ų | 124.5 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -115.3 | -13 | 172.3 | -158.3 | -92.5 | 0 | 0 | 0 | 112.4 | K1342 L1343 W1344 | K1342-Y1346 PolarHBondContact O-N 3.49Å; L1343-Y1346 WeakPolarHBondContact O-CB 3.06Å; L1343-Y1346 PolarHBondContact O-N 3.31Å; W1344-Y1346 PolarHBondContact O-N 2.83Å |
| 1347 | F | 78.2 | Confident | 77.2 | Confident | 131 Ų | 131 | 118.3 Ų | 118.3 | 58% | 0.575 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -106 | -17 | 177.4 | -84.2 | -70.7 | 0 | 0 | 0 | 113.8 | L1343 W1344 | L1343-F1347 HydrophobicContact CD1-CE2 4.14Å; L1343-F1347 HydrophobicContact CG-CD2 4.13Å; L1343-F1347 HydrophobicContact CG-CE2 4.02Å; L1343-F1347 WeakPolarHBondContact O-CD2 3.18Å; L1343-F1347 PolarHBondContact O-N 2.7Å; W1344-F1347 PolarHBondContact O-N 2.74Å; W1344-F1347 VanDerWaalsContact O-N 3.08Å |
| 1348 | G | 82.1 | Confident | 79.3 | Confident | 119 Ų | 119 | 118.5 Ų | 118.5 | 100% | 1.227 | 63% | 0.628 | S | S | * | * | | | trans | -121.5 | 0 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1344 | W1344-G1348 PolarHBondContact O-N 3.37Š|