| 1 | M | 40.6 | Very low | 48.6 | Very low | 232 Ų | 232 | 147.3 Ų | 147.3 | 100% | 1.143 | 82% | 0.819 | S | S | * | * | | | | 0 | 152.5 | 0 | -67.1 | -159.5 | -86.1 | 0 | 0 | 108.4 | | |
| 2 | F | 55.6 | Low | 48.4 | Very low | 211 Ų | 211 | 144.7 Ų | 144.7 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | | | trans | 88.3 | 99.7 | -173.3 | -64.4 | -81 | 0 | 0 | 0 | 117.2 | | |
| 3 | R | 48.1 | Very low | 47.9 | Very low | 247 Ų | 247 | 137 Ų | 137 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | | | trans | -98.2 | 146.4 | 158.1 | 179 | 163.5 | -162.5 | -179.2 | 3.6 | 108.1 | | |
| 4 | G | 56.2 | Low | 48.4 | Very low | 71 Ų | 71 | 142.9 Ų | 142.9 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | 159.8 | 142.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 5 | A | 58.6 | Low | 48.7 | Very low | 84 Ų | 84 | 149 Ų | 149 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | | | cis | -151.5 | 126.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 6 | D | 43.9 | Very low | 49 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | trans | 4.6 | 130.2 | 135.6 | 22.2 | -59.1 | 0 | 0 | 0 | 117.6 | | |
| 7 | G | 54.1 | Low | 49.6 | Very low | 76 Ų | 76 | 148.6 Ų | 148.6 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 179 | 57.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 8 | Q | 44.7 | Very low | 50.6 | Low | 190 Ų | 190 | 150.8 Ų | 150.8 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | 37.1 | 123.1 | 148.4 | -120.1 | -170.6 | 17.2 | 0 | 0 | 121.4 | | |
| 9 | A | 42.8 | Very low | 51.5 | Low | 75 Ų | 75 | 148.2 Ų | 148.2 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | | | | 71.7 | 105 | 127.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 10 | S | 40.4 | Very low | 51.8 | Low | 95 Ų | 95 | 147.8 Ų | 147.8 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | | | | 94.7 | 138.5 | 113.5 | 79.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 11 | K | 50 | Low | 52 | Low | 184 Ų | 184 | 144.1 Ų | 144.1 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | 89 | 82.8 | 161.7 | -55.7 | 169.4 | -173.8 | 177.8 | 0 | 115.3 | | |
| 12 | S | 45.6 | Very low | 52.8 | Low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | | 45.7 | 120.8 | 117.8 | 62.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 13 | G | 41.7 | Very low | 52.4 | Low | 45 Ų | 45 | 134.9 Ų | 134.9 | 46% | 0.464 | 78% | 0.782 | S | S | . | * | | | trans | 111.3 | 100.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R15 | G13-R15 WeakPolarHBondContact O-CG 3.08Å; G13-R15 PolarHBondContact O-N 3.36Å; G13-R15 VanDerWaalsContact O-N 3.09Å |
| 14 | F | 56 | Low | 53 | Low | 220 Ų | 220 | 128.4 Ų | 128.4 | 97% | 0.965 | 78% | 0.775 | S | S | * | * | | | trans | 38.1 | 64.8 | 137.2 | -51.7 | -77.1 | 0 | 0 | 0 | 115.6 | | |
| 15 | R | 52.6 | Low | 52.8 | Low | 234 Ų | 234 | 131.2 Ų | 131.2 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -123.7 | 75.5 | 170.5 | -73.2 | -175.4 | -173 | -92 | 1 | 109.6 | G13 | G13-R15 WeakPolarHBondContact O-CG 3.08Å; G13-R15 PolarHBondContact O-N 3.36Å; G13-R15 VanDerWaalsContact O-N 3.09Å |
| 16 | S | 53.9 | Low | 52.8 | Low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -166.4 | 88.5 | 169.4 | 29.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 17 | M | 58.3 | Low | 53.6 | Low | 187 Ų | 187 | 134.8 Ų | 134.8 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | 156.6 | 67.2 | 153.2 | -73.8 | -27.5 | -100.7 | 0 | 0 | 108.7 | | |
| 18 | K | 67.9 | Low | 53.6 | Low | 188 Ų | 188 | 141.4 Ų | 141.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | -98.4 | 120.3 | 165 | -175.5 | 120.8 | 174.8 | 173.4 | 0 | 107 | | |
| 19 | P | 66.7 | Low | 54 | Low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | trans | -63.7 | 142 | 179 | 25 | -32.5 | 0 | 0 | 0 | 110.4 | G21 | P19-G21 PolarHBondContact O-N 3.11Š|
| 20 | P | 58 | Low | 54.5 | Low | 139 Ų | 139 | 136.9 Ų | 136.9 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -70.1 | 100 | 175 | 29 | -31.6 | 0 | 0 | 0 | 108.4 | | |
| 21 | G | 55.4 | Low | 55.2 | Low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 162.8 | 99.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | P19 | P19-G21 PolarHBondContact O-N 3.11Š|
| 22 | G | 57.9 | Low | 55.1 | Low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 87.2 | 72.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 23 | E | 48.6 | Very low | 55.1 | Low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | -84.2 | 115.3 | 144.8 | 59.9 | -167.8 | 166.2 | 0 | 0 | 107.7 | | |
| 24 | S | 59.2 | Low | 55.4 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -142.7 | 105.5 | 165.2 | 45.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 25 | N | 53.3 | Low | 54.9 | Low | 131 Ų | 131 | 137.8 Ų | 137.8 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -79.7 | 122.2 | 176.8 | -53 | -62.8 | 0 | 0 | 0 | 107.9 | | |
| 26 | D | 58.8 | Low | 55 | Low | 169 Ų | 169 | 132 Ų | 132 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -112.9 | 104.9 | 158.2 | -83.2 | -36.4 | 0 | 0 | 0 | 109.8 | | |
| 27 | I | 60.8 | Low | 55 | Low | 145 Ų | 145 | 131.7 Ų | 131.7 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | trans | -73.9 | 109.7 | 172.7 | -73.2 | 153.1 | 0 | 0 | 0 | 106.9 | | |
| 28 | F | 53 | Low | 54.9 | Low | 215 Ų | 215 | 128.1 Ų | 128.1 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | | | trans | 39.3 | 83.6 | 161 | -79.4 | -92.8 | 0 | 0 | 0 | 116.9 | | |
| 29 | G | 54.3 | Low | 54.5 | Low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | -130.7 | 90.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 30 | S | 51.8 | Low | 54.3 | Low | 94 Ų | 94 | 128.2 Ų | 128.2 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | 57.9 | 121.1 | 151.5 | -166 | 0 | 0 | 0 | 0 | 121.5 | E32 | S30-E32 PolarHBondContact O-N 2.95Š|
| 31 | P | 54.8 | Low | 54.5 | Low | 140 Ų | 140 | 129 Ų | 129 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -92.3 | 79 | 163.7 | 36.7 | -27.7 | 0 | 0 | 0 | 110.4 | | |
| 32 | E | 49.5 | Very low | 55.1 | Low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -147.5 | 119.5 | 174.9 | -159 | 166.1 | -179.3 | 0 | 0 | 112.3 | S30 | S30-E32 PolarHBondContact O-N 2.95Š|
| 33 | E | 43.8 | Very low | 56 | Low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | 58.2 | 94.6 | 155.3 | -72.2 | 175.9 | 144.2 | 0 | 0 | 120.2 | | |
| 34 | G | 49 | Very low | 57.1 | Low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -169 | 87.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P36 | G34-P36 VanDerWaalsContact O-CD 3.27Å; G34-P36 WeakPolarHBondContact O-CD 3.46Å |
| 35 | V | 45 | Very low | 57.9 | Low | 138 Ų | 138 | 136.1 Ų | 136.1 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -50.7 | 115.8 | 171.5 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | S37 | V35-S37 PolarHBondContact O-N 3.03Š|
| 36 | P | 54.4 | Low | 58.9 | Low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | | | trans | -68.1 | 106.2 | 170.4 | 28 | -29.5 | 0 | 0 | 0 | 105.3 | G34 S38 | G34-P36 VanDerWaalsContact O-CD 3.27Å; G34-P36 WeakPolarHBondContact O-CD 3.46Å; P36-S38 VanDerWaalsContact C-N 3.31Å; P36-S38 PolarHBondContact O-N 3.12Å |
| 37 | S | 53.8 | Low | 59.9 | Low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -48.4 | 100 | 172.5 | 175.4 | 0 | 0 | 0 | 0 | 108.4 | V35 K39 | V35-S37 PolarHBondContact O-N 3.03Å; S37-K39 VanDerWaalsContact C-N 3.31Å; S37-K39 PolarHBondContact O-N 3.06Å |
| 38 | S | 57.9 | Low | 61 | Low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | -66.2 | 84.1 | -174.4 | 159.9 | 0 | 0 | 0 | 0 | 109.7 | P36 | P36-S38 VanDerWaalsContact C-N 3.31Å; P36-S38 PolarHBondContact O-N 3.12Å |
| 39 | K | 58 | Low | 62.1 | Low | 180 Ų | 180 | 128.2 Ų | 128.2 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | trans | -128.7 | 100.1 | 162.2 | -74.8 | 177 | -177.2 | 156.2 | 0 | 107.6 | S37 H41 | S37-K39 VanDerWaalsContact C-N 3.31Å; S37-K39 PolarHBondContact O-N 3.06Å; K39-H41 PolarHBondContact O-N 3.02Å |
| 40 | P | 63.3 | Low | 63.2 | Low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | -68.7 | 133.9 | -175.4 | 28.7 | -32.2 | 0 | 0 | 0 | 109.1 | R42 | P40-R42 PolarHBondContact O-N 2.9Š|
| 41 | H | 61.6 | Low | 64.1 | Low | 154 Ų | 154 | 132.9 Ų | 132.9 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | trans | -52.2 | 108.2 | 164 | -113.3 | 89.9 | 0 | 0 | 0 | 108.1 | K39 M43 A44 | K39-H41 PolarHBondContact O-N 3.02Å; H41-M43 PolarHBondContact O-N 3.15Å; H41-A44 HydrophobicContact CB-CB 3.93Å; H41-A44 PolarHBondContact O-N 3.21Å; H41-A44 VanDerWaalsContact O-N 3.07Å |
| 42 | R | 68 | Low | 64.8 | Low | 252 Ų | 252 | 132.4 Ų | 132.4 | 95% | 0.951 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -15.9 | -175.6 | -70.4 | -172.7 | -158.3 | 174.2 | 6.3 | 114.3 | P40 | P40-R42 PolarHBondContact O-N 2.9Š|
| 43 | M | 76.4 | Confident | 65.8 | Low | 177 Ų | 177 | 133.1 Ų | 133.1 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -2.3 | -179.2 | -53 | -169.4 | -36.8 | 0 | 0 | 113.7 | H41 | H41-M43 PolarHBondContact O-N 3.15Š|
| 44 | A | 73.1 | Confident | 67 | Low | 61 Ų | 61 | 130.4 Ų | 130.4 | 50% | 0.504 | 73% | 0.733 | S | S | . | * | | | trans | -77.2 | 125.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | H41 | H41-A44 HydrophobicContact CB-CB 3.93Å; H41-A44 PolarHBondContact O-N 3.21Å; H41-A44 VanDerWaalsContact O-N 3.07Å |
| 45 | S | 75.2 | Confident | 67.7 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | trans | -84.4 | 125.8 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | I47 | S45-I47 VanDerWaalsContact C-N 3.34Å; S45-I47 PolarHBondContact O-N 2.77Å |
| 46 | N | 75.1 | Confident | 68.6 | Low | 124 Ų | 124 | 135.2 Ų | 135.2 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | | | trans | -93.2 | 35.8 | 177.9 | -66.5 | -21.6 | 0 | 0 | 0 | 113.2 | F48 G49 | N46-F48 VanDerWaalsContact C-N 3.28Å; N46-F48 PolarHBondContact O-N 3Å; N46-G49 PolarHBondContact O-N 2.86Å; N46-G49 VanDerWaalsContact O-N 3.1Å |
| 47 | I | 78.4 | Confident | 68.9 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -35.5 | -171.4 | -63.5 | 168.2 | 0 | 0 | 0 | 112.7 | S45 | S45-I47 VanDerWaalsContact C-N 3.34Å; S45-I47 PolarHBondContact O-N 2.77Å |
| 48 | F | 84.1 | Confident | 69.7 | Low | 204 Ų | 204 | 137.1 Ų | 137.1 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 8 | 177.2 | -58.2 | -73.2 | 0 | 0 | 0 | 113.1 | N46 | N46-F48 VanDerWaalsContact C-N 3.28Å; N46-F48 PolarHBondContact O-N 3Å |
| 49 | G | 75.9 | Confident | 69.7 | Low | 33 Ų | 33 | 140.7 Ų | 140.7 | 34% | 0.34 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -76.9 | 159.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N46 T51 | N46-G49 PolarHBondContact O-N 2.86Å; N46-G49 VanDerWaalsContact O-N 3.1Å; G49-T51 PolarHBondContact O-N 3.32Å |
| 50 | P | 78.1 | Confident | 69.9 | Low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | | | trans | -55.8 | 139.8 | 169.7 | 25.9 | -33.1 | 0 | 0 | 0 | 109.3 | E52 | P50-E52 PolarHBondContact O-N 3.12Š|
| 51 | T | 70.8 | Confident | 69.6 | Low | 138 Ų | 138 | 138.6 Ų | 138.6 | 85% | 0.847 | 72% | 0.721 | S | S | * | * | | | trans | -62.2 | 98.1 | 179.6 | -50 | 0 | 0 | 0 | 0 | 109.3 | G49 E53 | G49-T51 PolarHBondContact O-N 3.32Å; T51-E53 PolarHBondContact O-N 2.82Å |
| 52 | E | 69 | Low | 69.6 | Low | 131 Ų | 131 | 134.5 Ų | 134.5 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | | | trans | -69.3 | 116 | 166.9 | -176.1 | 168.7 | -174.1 | 0 | 0 | 107.1 | P50 K55 | P50-E52 PolarHBondContact O-N 3.12Å; E52-K55 IonicContact OE1-NZ 2.95Å; E52-K55 PolarHBondContact OE1-NZ 2.74Å |
| 53 | E | 70.3 | Confident | 69.3 | Low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | | | trans | -55.5 | 133 | 172.9 | -72.7 | -164.7 | 162.4 | 0 | 0 | 109 | T51 K55 | T51-E53 PolarHBondContact O-N 2.82Å; E53-K55 VanDerWaalsContact C-N 3.32Å; E53-K55 PolarHBondContact O-N 2.74Å |
| 54 | P | 69.2 | Low | 68.7 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | | | trans | -62.7 | 97 | 178.3 | 24.5 | -31.6 | 0 | 0 | 0 | 108.8 | N56 | P54-N56 PolarHBondContact O-N 3.06Š|
| 55 | K | 64.2 | Low | 68 | Low | 157 Ų | 157 | 126.6 Ų | 126.6 | 68% | 0.683 | 71% | 0.709 | S | S | * | * | | | trans | -48.9 | 118.7 | 173 | -76.6 | 174.4 | -179.5 | 132.5 | 0 | 107.4 | E52 E53 I57 | E52-K55 IonicContact OE1-NZ 2.95Å; E52-K55 PolarHBondContact OE1-NZ 2.74Å; E53-K55 VanDerWaalsContact C-N 3.32Å; E53-K55 PolarHBondContact O-N 2.74Å; K55-I57 VanDerWaalsContact C-N 3.3Å; K55-I57 VanDerWaalsContact O-CG1 3.26Å; K55-I57 WeakPolarHBondContact O-CG1 3.26Å; K55-I57 PolarHBondContact O-N 2.71Å |
| 56 | N | 63.4 | Low | 67.5 | Low | 151 Ų | 151 | 123.9 Ų | 123.9 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | | | trans | -44.6 | 89.5 | -178.2 | -168.8 | -53.6 | 0 | 0 | 0 | 110.8 | P54 P58 | P54-N56 PolarHBondContact O-N 3.06Å; N56-P58 WeakPolarHBondContact O-CD 3.47Å |
| 57 | I | 62.2 | Low | 67.3 | Low | 136 Ų | 136 | 127.5 Ų | 127.5 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | | | trans | -73.5 | 125.7 | 170.3 | -44.1 | 175.7 | 0 | 0 | 0 | 104.1 | K55 K59 | K55-I57 VanDerWaalsContact C-N 3.3Å; K55-I57 VanDerWaalsContact O-CG1 3.26Å; K55-I57 WeakPolarHBondContact O-CG1 3.26Å; K55-I57 PolarHBondContact O-N 2.71Å; I57-K59 VanDerWaalsContact C-N 3.31Å; I57-K59 WeakPolarHBondContact O-CG 3.08Å; I57-K59 PolarHBondContact O-N 2.88Å |
| 58 | P | 69.3 | Low | 66.8 | Low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | | | trans | -54.5 | 96.7 | 177.6 | -26.4 | 34.7 | 0 | 0 | 0 | 110.1 | N56 R60 | N56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-R60 PolarHBondContact O-N 2.9Å |
| 59 | K | 58.7 | Low | 65.9 | Low | 187 Ų | 187 | 116.9 Ų | 116.9 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | | | trans | -73.1 | 123.2 | 178.5 | -68.5 | -171.3 | -177.7 | 176.6 | 0 | 105.9 | I57 | I57-K59 VanDerWaalsContact C-N 3.31Å; I57-K59 WeakPolarHBondContact O-CG 3.08Å; I57-K59 PolarHBondContact O-N 2.88Å |
| 60 | R | 62 | Low | 65.7 | Low | 109 Ų | 109 | 117.4 Ų | 117.4 | 41% | 0.411 | 68% | 0.682 | S | S | . | * | | | trans | 87.1 | 77.5 | 166.1 | -47.8 | 162.5 | 76.3 | 164.4 | 11.4 | 114.1 | P58 N62 S69 | P58-R60 PolarHBondContact O-N 2.9Å; R60-N62 PolarHBondContact O-N 2.76Å; R60-S69 PolarHBondContact NH1-O 3.15Å; R60-S69 VanDerWaalsContact NH2-N 3.1Å; R60-S69 PolarHBondContact NH2-O 3.21Å |
| 61 | T | 55.7 | Low | 65.2 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | | | trans | -60.2 | 95.1 | 139.7 | 150.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 62 | N | 63.2 | Low | 65.3 | Low | 69 Ų | 69 | 118.5 Ų | 118.5 | 37% | 0.369 | 67% | 0.666 | S | S | . | * | | | trans | -81.1 | 142.9 | 157.6 | -65.8 | -46 | 0 | 0 | 0 | 106.6 | R60 | R60-N62 PolarHBondContact O-N 2.76Š|
| 63 | P | 61.4 | Low | 65.2 | Low | 95 Ų | 95 | 117.3 Ų | 117.3 | 62% | 0.617 | 66% | 0.664 | S | S | * | * | | | trans | -54.1 | 148.1 | 167.8 | 25.5 | -33.9 | 0 | 0 | 0 | 109.6 | G65 G66 | P63-G65 PolarHBondContact O-N 2.97Å; P63-G66 PolarHBondContact O-N 3.17Å |
| 64 | P | 63.5 | Low | 64.8 | Low | 143 Ų | 143 | 118.6 Ų | 118.6 | 93% | 0.929 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 108.9 | 176.7 | 21.2 | -30.4 | 0 | 0 | 0 | 108.8 | | |
| 65 | G | 58.8 | Low | 64.3 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 88% | 0.876 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.5 | -5.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P63 | P63-G65 PolarHBondContact O-N 2.97Š|
| 66 | G | 64.8 | Low | 64 | Low | 35 Ų | 35 | 115.9 Ų | 115.9 | 36% | 0.361 | 67% | 0.669 | S | S | . | * | | | trans | -89.1 | 112 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | P63 G68 | P63-G66 PolarHBondContact O-N 3.17Å; G66-G68 PolarHBondContact O-N 3.16Å |
| 67 | K | 69.5 | Low | 63.6 | Low | 200 Ų | 200 | 114.5 Ų | 114.5 | 87% | 0.87 | 67% | 0.669 | S | S | * | * | | | trans | -63.7 | 131 | 168.6 | -66.8 | 179 | -179.1 | 178.9 | 0 | 109.1 | S69 | K67-S69 PolarHBondContact O-N 2.87Å; K67-S69 VanDerWaalsContact O-N 3.15Å |
| 68 | G | 69.8 | Low | 63.4 | Low | 48 Ų | 48 | 113.8 Ų | 113.8 | 50% | 0.495 | 67% | 0.67 | S | S | . | * | | | trans | -58.6 | 117.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G66 G70 | G66-G68 PolarHBondContact O-N 3.16Å; G68-G70 VanDerWaalsContact C-N 3.35Å; G68-G70 PolarHBondContact O-N 3.48Å |
| 69 | S | 64.3 | Low | 62.8 | Low | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 67% | 0.674 | S | S | . | * | | | trans | -64.4 | 98.3 | 164.8 | -175.2 | 0 | 0 | 0 | 0 | 106.9 | R60 K67 I71 | R60-S69 PolarHBondContact NH1-O 3.15Å; R60-S69 VanDerWaalsContact NH2-N 3.1Å; R60-S69 PolarHBondContact NH2-O 3.21Å; K67-S69 PolarHBondContact O-N 2.87Å; K67-S69 VanDerWaalsContact O-N 3.15Å; S69-I71 PolarHBondContact O-N 2.64Å; S69-I71 WeakPolarHBondContact OG-CG2 3.48Å |
| 70 | G | 71.5 | Confident | 62.6 | Low | 44 Ų | 44 | 113.9 Ų | 113.9 | 45% | 0.454 | 67% | 0.673 | S | S | . | * | | | trans | -71.8 | 34.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G68 F72 D73 | G68-G70 VanDerWaalsContact C-N 3.35Å; G68-G70 PolarHBondContact O-N 3.48Å; G70-F72 VanDerWaalsContact C-N 3.26Å; G70-F72 PolarHBondContact O-N 2.9Å; G70-D73 WeakPolarHBondContact CA-OD2 3.35Å |
| 71 | I | 68.5 | Low | 62.4 | Low | 119 Ų | 119 | 119.7 Ų | 119.7 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -74.4 | -15.7 | -177.2 | 56.9 | 156.4 | 0 | 0 | 0 | 113.4 | S69 | S69-I71 PolarHBondContact O-N 2.64Å; S69-I71 WeakPolarHBondContact OG-CG2 3.48Å |
| 72 | F | 72.1 | Confident | 62.5 | Low | 172 Ų | 172 | 121.1 Ų | 121.1 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -114.4 | -0.5 | 178 | -59.8 | -66 | 0 | 0 | 0 | 112.6 | G70 | G70-F72 VanDerWaalsContact C-N 3.26Å; G70-F72 PolarHBondContact O-N 2.9Å |
| 73 | D | 66.7 | Low | 62.3 | Low | 106 Ų | 106 | 128.2 Ų | 128.2 | 57% | 0.567 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -81.3 | 126.2 | 173.7 | -61.4 | -38 | 0 | 0 | 0 | 106.9 | G70 S75 | G70-D73 WeakPolarHBondContact CA-OD2 3.35Å; D73-S75 PolarHBondContact O-N 2.79Å |
| 74 | E | 61.3 | Low | 62.5 | Low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | | | trans | -51.8 | 131.4 | 171 | -82.5 | 178.5 | 149.2 | 0 | 0 | 108.7 | T76 | E74-T76 PolarHBondContact O-N 3.25Š|
| 75 | S | 58.7 | Low | 62.5 | Low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | | | trans | -49.6 | 95.6 | -166.8 | 53 | 0 | 0 | 0 | 0 | 112.3 | D73 | D73-S75 PolarHBondContact O-N 2.79Š|
| 76 | T | 58.1 | Low | 62.6 | Low | 109 Ų | 109 | 127.5 Ų | 127.5 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | | | trans | -57.8 | 133.7 | 149.5 | 43.9 | 0 | 0 | 0 | 0 | 105.7 | E74 V78 | E74-T76 PolarHBondContact O-N 3.25Å; T76-V78 VanDerWaalsContact C-N 3.3Å; T76-V78 PolarHBondContact O-N 2.98Å |
| 77 | P | 56.5 | Low | 62.8 | Low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | | | trans | -58.5 | 102.9 | 178 | 23.5 | -31.7 | 0 | 0 | 0 | 106.6 | Q79 | P77-Q79 PolarHBondContact O-N 3.21Š|
| 78 | V | 56.7 | Low | 62.4 | Low | 120 Ų | 120 | 125.5 Ų | 125.5 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | | | trans | -52.7 | 114 | 172.5 | 172.2 | 0 | 0 | 0 | 0 | 103.3 | T76 T80 | T76-V78 VanDerWaalsContact C-N 3.3Å; T76-V78 PolarHBondContact O-N 2.98Å; V78-T80 PolarHBondContact O-N 2.96Å |
| 79 | Q | 56.7 | Low | 62.1 | Low | 179 Ų | 179 | 124.2 Ų | 124.2 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | | | trans | -51 | 99.9 | 164.7 | -72.3 | -179.8 | -5.6 | 0 | 0 | 104.5 | P77 R81 | P77-Q79 PolarHBondContact O-N 3.21Å; Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 2.98Å |
| 80 | T | 54.8 | Low | 62.2 | Low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | | | trans | -57.9 | 106.8 | 175.6 | 41.5 | 0 | 0 | 0 | 0 | 102.3 | V78 Q82 | V78-T80 PolarHBondContact O-N 2.96Å; T80-Q82 VanDerWaalsContact C-N 3.31Å; T80-Q82 PolarHBondContact O-N 3.19Å |
| 81 | R | 57.3 | Low | 61.9 | Low | 231 Ų | 231 | 134.4 Ų | 134.4 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | | | trans | -50.1 | 112.5 | 172.1 | -76.7 | -172 | 75.6 | -174.4 | 3.8 | 103.5 | Q79 R83 | Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 2.98Å; R81-R83 PolarHBondContact O-N 3.44Å |
| 82 | Q | 58.9 | Low | 61.7 | Low | 168 Ų | 168 | 130.1 Ų | 130.1 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | trans | -56.3 | 88.9 | -179.9 | -175.7 | -176.9 | 6.8 | 0 | 0 | 105.6 | T80 L84 | T80-Q82 VanDerWaalsContact C-N 3.31Å; T80-Q82 PolarHBondContact O-N 3.19Å; Q82-L84 HydrophobicContact CG-CD2 4.41Å; Q82-L84 PolarHBondContact O-N 2.89Å |
| 83 | R | 58.3 | Low | 61.7 | Low | 218 Ų | 218 | 127.1 Ų | 127.1 | 82% | 0.823 | 68% | 0.683 | S | S | * | * | | | trans | -72.3 | 96.8 | 171.7 | -74.4 | -151.5 | 175.4 | -150.4 | 2.3 | 102.5 | R81 N85 | R81-R83 PolarHBondContact O-N 3.44Å; R83-N85 PolarHBondContact O-N 2.96Å |
| 84 | L | 65.7 | Low | 61.9 | Low | 139 Ų | 139 | 127.1 Ų | 127.1 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -53 | -16.9 | 175.1 | -75.6 | 166.2 | 0 | 0 | 0 | 112.2 | Q82 P86 | Q82-L84 HydrophobicContact CG-CD2 4.41Å; Q82-L84 PolarHBondContact O-N 2.89Å; L84-P86 WeakPolarHBondContact O-CD 3.23Å |
| 85 | N | 63 | Low | 62.6 | Low | 87 Ų | 87 | 127.5 Ų | 127.5 | 47% | 0.465 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -100.5 | 111.7 | 175 | -61.2 | -34.3 | 0 | 0 | 0 | 109.7 | R83 | R83-N85 PolarHBondContact O-N 2.96Š|
| 86 | P | 62.5 | Low | 63.1 | Low | 83 Ų | 83 | 124 Ų | 124 | 54% | 0.539 | 66% | 0.663 | S | S | . | * | | | trans | -58.9 | 138 | 167.9 | 24.6 | -31.8 | 0 | 0 | 0 | 109.2 | L84 G88 G89 | L84-P86 WeakPolarHBondContact O-CD 3.23Å; P86-G88 PolarHBondContact O-N 2.97Å; P86-G89 PolarHBondContact O-N 2.75Å |
| 87 | P | 67.7 | Low | 63.6 | Low | 129 Ų | 129 | 122.3 Ų | 122.3 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 121.7 | 172.4 | 23.7 | -30.4 | 0 | 0 | 0 | 108.9 | | |
| 88 | G | 61.1 | Low | 64.3 | Low | 63 Ų | 63 | 122.7 Ų | 122.7 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.3 | 5.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | P86 | P86-G88 PolarHBondContact O-N 2.97Š|
| 89 | G | 64.1 | Low | 64.6 | Low | 22 Ų | 22 | 122.3 Ų | 122.3 | 23% | 0.227 | 66% | 0.656 | C | S | . | * | S | Bend | trans | -74.1 | 158.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P86 T91 S92 | P86-G89 PolarHBondContact O-N 2.75Å; G89-T91 PolarHBondContact O-N 3.02Å; G89-S92 WeakPolarHBondContact O-CA 3.1Å; G89-S92 WeakPolarHBondContact O-CB 3.34Å; G89-S92 PolarHBondContact O-N 2.77Å; G89-S92 PolarHBondContact O-OG 2.81Å |
| 90 | K | 65.6 | Low | 64.7 | Low | 226 Ų | 226 | 120 Ų | 120 | 98% | 0.983 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -18.5 | 174.6 | -51.8 | 176 | -175 | 179.1 | 0 | 113.5 | | |
| 91 | T | 66.1 | Low | 65 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 60% | 0.595 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 3.3 | 175.5 | 59 | 0 | 0 | 0 | 0 | 112.7 | G89 D93 | G89-T91 PolarHBondContact O-N 3.02Å; T91-D93 PolarHBondContact O-N 2.88Å; T91-D93 VanDerWaalsContact O-N 3.12Å |
| 92 | S | 63 | Low | 65.3 | Low | 29 Ų | 29 | 113.3 Ų | 113.3 | 20% | 0.203 | 65% | 0.649 | C | S | . | * | | | trans | -73.1 | 108.4 | 178.1 | 79.3 | 0 | 0 | 0 | 0 | 108 | G89 I94 | G89-S92 WeakPolarHBondContact O-CA 3.1Å; G89-S92 WeakPolarHBondContact O-CB 3.34Å; G89-S92 PolarHBondContact O-N 2.77Å; G89-S92 PolarHBondContact O-OG 2.81Å; S92-I94 PolarHBondContact O-N 3.11Å; S92-I94 VanDerWaalsContact OG-CD1 3.26Å; S92-I94 WeakPolarHBondContact OG-CD1 3.49Å; S92-I94 WeakPolarHBondContact OG-CG1 3.13Å |
| 93 | D | 72.4 | Confident | 65.6 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 40.2 | 172.5 | -164.4 | 33.5 | 0 | 0 | 0 | 111.2 | T91 F95 G96 S97 | T91-D93 PolarHBondContact O-N 2.88Å; T91-D93 VanDerWaalsContact O-N 3.12Å; D93-F95 VanDerWaalsContact C-N 3.34Å; D93-G96 WeakPolarHBondContact OD1-CA 3.37Å; D93-S97 PolarHBondContact OD1-N 3.47Å |
| 94 | I | 70.9 | Confident | 66 | Low | 107 Ų | 107 | 104 Ų | 104 | 55% | 0.549 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -38 | -179.6 | -65.7 | 173.9 | 0 | 0 | 0 | 109.8 | S92 | S92-I94 PolarHBondContact O-N 3.11Å; S92-I94 VanDerWaalsContact OG-CD1 3.26Å; S92-I94 WeakPolarHBondContact OG-CD1 3.49Å; S92-I94 WeakPolarHBondContact OG-CG1 3.13Å |
| 95 | F | 77 | Confident | 66.2 | Low | 197 Ų | 197 | 105.5 Ų | 105.5 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -93.1 | -0.4 | 179.3 | -64.3 | -72.1 | 0 | 0 | 0 | 113.4 | D93 | D93-F95 VanDerWaalsContact C-N 3.34Š|
| 96 | G | 69.5 | Low | 66.5 | Low | 42 Ų | 42 | 103.4 Ų | 103.4 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | | | trans | 69.6 | 130.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D93 | D93-G96 WeakPolarHBondContact OD1-CA 3.37Š|
| 97 | S | 68.8 | Low | 67.1 | Low | 75 Ų | 75 | 105.3 Ų | 105.3 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | | | trans | -56 | 145.4 | 151.1 | 62.7 | 0 | 0 | 0 | 0 | 108.2 | D93 V99 | D93-S97 PolarHBondContact OD1-N 3.47Å; S97-V99 PolarHBondContact O-N 2.99Å |
| 98 | P | 70.3 | Confident | 67.7 | Low | 130 Ų | 130 | 105.5 Ų | 105.5 | 84% | 0.844 | 64% | 0.644 | S | S | * | * | | | trans | -62.1 | 95.1 | 171.8 | 26 | -32.3 | 0 | 0 | 0 | 107.6 | T100 | P98-T100 PolarHBondContact O-N 3.14Š|
| 99 | V | 62.1 | Low | 68.5 | Low | 111 Ų | 111 | 109.4 Ų | 109.4 | 67% | 0.673 | 65% | 0.65 | S | S | * | * | | | trans | -64.1 | 107.9 | 167 | 172.1 | 0 | 0 | 0 | 0 | 104.3 | S97 A101 | S97-V99 PolarHBondContact O-N 2.99Å; V99-A101 PolarHBondContact O-N 3.12Å |
| 100 | T | 60.3 | Low | 69.2 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | | | trans | -42.5 | 111.1 | 166.7 | -47.9 | 0 | 0 | 0 | 0 | 106.7 | P98 T102 | P98-T100 PolarHBondContact O-N 3.14Å; T100-T102 PolarHBondContact O-N 3.22Å |
| 101 | A | 60.4 | Low | 69.9 | Low | 95 Ų | 95 | 108.5 Ų | 108.5 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | | | trans | -54.2 | 98.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V99 A103 | V99-A101 PolarHBondContact O-N 3.12Å; A101-A103 PolarHBondContact O-N 3.2Å |
| 102 | T | 63.9 | Low | 70.4 | Confident | 122 Ų | 122 | 112.6 Ų | 112.6 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | | | trans | -62.9 | 114.1 | 165.1 | 44.5 | 0 | 0 | 0 | 0 | 104.8 | T100 | T100-T102 PolarHBondContact O-N 3.22Š|
| 103 | A | 65.1 | Low | 70.7 | Confident | 82 Ų | 82 | 117.4 Ų | 117.4 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | | | trans | -40.6 | 132.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A101 L105 | A101-A103 PolarHBondContact O-N 3.2Å; A103-L105 PolarHBondContact O-N 2.91Å |
| 104 | P | 67.2 | Low | 70.7 | Confident | 110 Ų | 110 | 118.2 Ų | 118.2 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | | | trans | -55.8 | 112.4 | -175.2 | 21.8 | -31.4 | 0 | 0 | 0 | 108 | A106 | P104-A106 PolarHBondContact O-N 2.68Š|
| 105 | L | 68.8 | Low | 70.5 | Confident | 170 Ų | 170 | 119.3 Ų | 119.3 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | | | trans | -59.6 | 105.5 | 179.1 | -179 | 63.8 | 0 | 0 | 0 | 106.9 | A103 H107 | A103-L105 PolarHBondContact O-N 2.91Å; L105-H107 PolarHBondContact O-N 3.02Å; L105-H107 VanDerWaalsContact O-N 3.16Å |
| 106 | A | 70.8 | Confident | 70.1 | Confident | 43 Ų | 43 | 116 Ų | 116 | 36% | 0.355 | 68% | 0.684 | S | S | . | * | | | trans | -55.3 | 124.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | P104 K112 | P104-A106 PolarHBondContact O-N 2.68Å; A106-K112 HydrophobicContact CB-CG 4.46Å |
| 107 | H | 74.1 | Confident | 70.1 | Confident | 122 Ų | 122 | 120.9 Ų | 120.9 | 57% | 0.565 | 70% | 0.699 | S | S | * | * | | | trans | -57.2 | 136.5 | 178.9 | -171.1 | -70.7 | 0 | 0 | 0 | 108.9 | L105 N109 K110 | L105-H107 PolarHBondContact O-N 3.02Å; L105-H107 VanDerWaalsContact O-N 3.16Å; H107-N109 PolarHBondContact ND1-N 3.43Å; H107-N109 PolarHBondContact O-N 2.72Å; H107-K110 HydrophobicContact CB-CB 4.07Å; H107-K110 PolarHBondContact O-N 2.9Å |
| 108 | P | 79.9 | Confident | 69.5 | Low | 134 Ų | 134 | 122.5 Ų | 122.5 | 87% | 0.87 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -4.4 | -174.6 | 24.4 | -36.2 | 0 | 0 | 0 | 115 | | |
| 109 | N | 79.3 | Confident | 68.7 | Low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 13.4 | -177.8 | -157.3 | 12.2 | 0 | 0 | 0 | 112.5 | H107 | H107-N109 PolarHBondContact ND1-N 3.43Å; H107-N109 PolarHBondContact O-N 2.72Å |
| 110 | K | 78.6 | Confident | 68.2 | Low | 142 Ų | 142 | 122.5 Ų | 122.5 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -113.2 | 126.4 | 176.9 | -152 | 169 | -171 | -177.8 | 0 | 108.6 | H107 | H107-K110 HydrophobicContact CB-CB 4.07Å; H107-K110 PolarHBondContact O-N 2.9Å |
| 111 | P | 79.5 | Confident | 67.5 | Low | 87 Ų | 87 | 125 Ų | 125 | 57% | 0.565 | 71% | 0.709 | S | S | * | * | | | trans | -58.6 | 143.1 | 176 | 25.2 | -32.7 | 0 | 0 | 0 | 109.6 | D113 | P111-D113 PolarHBondContact O-N 2.98Š|
| 112 | K | 76.3 | Confident | 66.6 | Low | 183 Ų | 183 | 127.3 Ų | 127.3 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | | | trans | -77.1 | 71.8 | -178 | -74.5 | 172.6 | 176.6 | 175.9 | 0 | 109.6 | A106 H114 | A106-K112 HydrophobicContact CB-CG 4.46Å; K112-H114 VanDerWaalsContact C-N 3.32Å |
| 113 | D | 70.6 | Confident | 65.8 | Low | 129 Ų | 129 | 127.8 Ų | 127.8 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | | | trans | -96.9 | 24 | -179.2 | -61.5 | -12.4 | 0 | 0 | 0 | 112.4 | P111 V115 | P111-D113 PolarHBondContact O-N 2.98Å; D113-V115 PolarHBondContact O-N 2.88Å |
| 114 | H | 71.5 | Confident | 64.7 | Low | 127 Ų | 127 | 133.4 Ų | 133.4 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | | | trans | -89.3 | 81.4 | 177.2 | -63.3 | -60.9 | 0 | 0 | 0 | 110.5 | K112 L116 | K112-H114 VanDerWaalsContact C-N 3.32Å; H114-L116 VanDerWaalsContact C-N 3.3Å; H114-L116 HydrophobicContact CB-CD2 4.39Å; H114-L116 HydrophobicContact CB-CG 4.43Å; H114-L116 PolarHBondContact O-N 2.77Å; H114-L116 VanDerWaalsContact O-N 3.15Å |
| 115 | V | 66.7 | Low | 64 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | | | trans | -71 | 96 | 151.9 | -172.6 | 0 | 0 | 0 | 0 | 105.6 | D113 L117 | D113-V115 PolarHBondContact O-N 2.88Å; V115-L117 PolarHBondContact O-N 3.29Å |
| 116 | L | 69.1 | Low | 62.7 | Low | 127 Ų | 127 | 132.7 Ų | 132.7 | 67% | 0.665 | 72% | 0.724 | S | S | * | * | | | trans | -74 | 96.9 | 172.2 | -64.8 | 176.8 | 0 | 0 | 0 | 107.4 | H114 C118 | H114-L116 VanDerWaalsContact C-N 3.3Å; H114-L116 HydrophobicContact CB-CD2 4.39Å; H114-L116 HydrophobicContact CB-CG 4.43Å; H114-L116 PolarHBondContact O-N 2.77Å; H114-L116 VanDerWaalsContact O-N 3.15Å; L116-C118 PolarHBondContact O-N 3.45Å |
| 117 | L | 68.1 | Low | 61.9 | Low | 145 Ų | 145 | 138.9 Ų | 138.9 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | -74.7 | 83.3 | 165.4 | -144.6 | 75.9 | 0 | 0 | 0 | 106.7 | V115 E119 | V115-L117 PolarHBondContact O-N 3.29Å; L117-E119 PolarHBondContact O-N 3.15Å; L117-E119 VanDerWaalsContact O-N 3.12Å |
| 118 | C | 56.3 | Low | 60.4 | Low | 109 Ų | 109 | 142.7 Ų | 142.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -74 | 95.9 | 170 | -62.9 | 0 | 0 | 0 | 0 | 107.6 | L116 | L116-C118 PolarHBondContact O-N 3.45Š|
| 119 | E | 53.6 | Low | 58.2 | Low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | -80.5 | 118.5 | 157.7 | -70.9 | -147.9 | 170.1 | 0 | 0 | 108.2 | L117 | L117-E119 PolarHBondContact O-N 3.15Å; L117-E119 VanDerWaalsContact O-N 3.12Å |
| 120 | G | 52.3 | Low | 56.5 | Low | 59 Ų | 59 | 138.6 Ų | 138.6 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 117.4 | 106.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 121 | E | 45.4 | Very low | 54.8 | Low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 70.1 | 98.8 | 150.3 | -61.3 | 164.2 | 139.5 | 0 | 0 | 117.6 | | |
| 122 | D | 42 | Very low | 53 | Low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | 68.7 | 79.6 | 141.2 | -52.2 | -25.1 | 0 | 0 | 0 | 120 | | |
| 123 | C | 46.6 | Very low | 51.5 | Low | 133 Ų | 133 | 137.9 Ų | 137.9 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | | | trans | -118.7 | 86.2 | 152.7 | -78.9 | 0 | 0 | 0 | 0 | 110.4 | S125 | C123-S125 PolarHBondContact O-N 2.95Š|
| 124 | K | 42.6 | Very low | 50.2 | Low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | | | trans | -72.6 | 106.7 | 162.6 | -66.6 | 173.9 | 179.8 | 172.7 | 0 | 108.5 | | |
| 125 | S | 52.5 | Low | 48.9 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -156.6 | 107.5 | 153.5 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | C123 | C123-S125 PolarHBondContact O-N 2.95Š|
| 126 | D | 40.2 | Very low | 47.6 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -41.1 | 127.1 | 162.2 | -74.9 | -60.6 | 0 | 0 | 0 | 112.4 | | |
| 127 | L | 53.9 | Low | 46.3 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -153.6 | 102.8 | 142.2 | -81.1 | -169.1 | 0 | 0 | 0 | 111.3 | | |
| 128 | K | 44.3 | Very low | 45.2 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | 42.6 | 109.7 | 149.5 | -76.4 | -153.2 | 177.4 | -162.6 | 0 | 120.4 | | |
| 129 | A | 33.1 | Very low | 44.5 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | -63.1 | 138.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 130 | A | 43.1 | Very low | 43.7 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -149.8 | 97.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 131 | T | 43 | Very low | 43.4 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | 55.2 | 107.5 | 134.5 | 61.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 132 | N | 41 | Very low | 43.2 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | | 54.8 | 115.6 | 119.3 | -53.2 | -20.1 | 0 | 0 | 0 | 120.6 | | |
| 133 | S | 45.1 | Very low | 43 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | | -179.7 | 149.6 | 109.1 | 50 | 0 | 0 | 0 | 0 | 113.4 | | |
| 134 | T | 44.5 | Very low | 42.4 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -73.1 | 157.8 | -160.5 | -48.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 135 | P | 42.6 | Very low | 42.6 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -89.6 | 147 | -179.6 | 35.6 | -33.8 | 0 | 0 | 0 | 113.2 | | |
| 136 | R | 40.9 | Very low | 41.9 | Very low | 228 Ų | 228 | 136.7 Ų | 136.7 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -160.1 | 136.1 | 168.8 | -174.3 | 173.8 | 158.2 | -157.1 | -8.9 | 112.7 | E138 | R136-E138 IonicContact CZ-OE1 3.72Å; R136-E138 IonicContact NE-OE1 3.44Å; R136-E138 PolarHBondContact NE-OE1 2.88Å; R136-E138 VanDerWaalsContact NE-OE1 3.11Å; R136-E138 IonicContact NH2-OE1 2.76Å; R136-E138 PolarHBondContact NH2-OE1 3Å |
| 137 | G | 41.9 | Very low | 41.8 | Very low | 61 Ų | 61 | 137.9 Ų | 137.9 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | | | trans | 147.9 | 86.6 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 138 | E | 43.6 | Very low | 41.2 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 66% | 0.659 | 80% | 0.796 | S | S | * | * | | | | 58.4 | 125.1 | 85.9 | -60 | 176.3 | -165.2 | 0 | 0 | 109.6 | R136 | R136-E138 IonicContact CZ-OE1 3.72Å; R136-E138 IonicContact NE-OE1 3.44Å; R136-E138 PolarHBondContact NE-OE1 2.88Å; R136-E138 VanDerWaalsContact NE-OE1 3.11Å; R136-E138 IonicContact NH2-OE1 2.76Å; R136-E138 PolarHBondContact NH2-OE1 3Å |
| 139 | Q | 42.9 | Very low | 40.8 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | cis | -177.6 | 139.5 | 15.7 | -171.4 | 171.1 | -6.5 | 0 | 0 | 105.3 | | |
| 140 | G | 36.4 | Very low | 41.4 | Very low | 67 Ų | 67 | 133 Ų | 133 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | | 46.4 | 124.5 | 122 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 141 | E | 44.9 | Very low | 41.1 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | | -178.5 | 167.4 | 64.9 | -85.6 | 171.1 | -170.2 | 0 | 0 | 112.1 | | |
| 142 | K | 42 | Very low | 41.4 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | | | trans | -68.9 | 163 | -165.6 | -56.3 | -179.9 | 178.7 | -178.3 | 0 | 116 | | |
| 143 | G | 36.9 | Very low | 42.1 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | 168.1 | 87.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 144 | S | 34.3 | Very low | 42.4 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -77.3 | 144.7 | 170.4 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 145 | S | 46.9 | Very low | 43.2 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | -179.5 | 120.5 | 134.6 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 146 | T | 38 | Very low | 43.9 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | 36.7 | 134 | 133.4 | 47.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 147 | E | 37.8 | Very low | 44.9 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | 177.1 | 158.3 | 63.6 | -148.4 | 176.2 | -174.8 | 0 | 0 | 111 | | |
| 148 | A | 42.8 | Very low | 45.9 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | 79 | 101.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 149 | E | 35.9 | Very low | 46.8 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -61.8 | 152.2 | 153.4 | -99.4 | -82.3 | 146.9 | 0 | 0 | 112 | A151 | E149-A151 PolarHBondContact OE2-N 2.86Š|
| 150 | P | 44.4 | Very low | 47.9 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | | -147.2 | 127.2 | 103.5 | 34.1 | -15.6 | 0 | 0 | 0 | 116 | | |
| 151 | A | 37.1 | Very low | 49.3 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | | | trans | 51.5 | 85.3 | 132 | 0 | 0 | 0 | 0 | 0 | 117.6 | E149 I153 | E149-A151 PolarHBondContact OE2-N 2.86Å; A151-I153 PolarHBondContact O-N 3.02Å |
| 152 | K | 49.4 | Very low | 50.3 | Low | 212 Ų | 212 | 128.3 Ų | 128.3 | 92% | 0.922 | 75% | 0.75 | S | S | * | * | | | trans | -83.4 | 112.2 | 160.9 | -94.3 | -176.4 | 177.9 | -170.9 | 0 | 111.5 | | |
| 153 | I | 55.2 | Low | 51.6 | Low | 146 Ų | 146 | 126.2 Ų | 126.2 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | -40.1 | 135.4 | 166.7 | -60.5 | 153.5 | 0 | 0 | 0 | 111 | A151 E155 | A151-I153 PolarHBondContact O-N 3.02Å; I153-E155 PolarHBondContact O-N 3.34Å |
| 154 | P | 52.9 | Low | 53.4 | Low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | trans | -69.6 | 115.9 | 173.1 | 28.1 | -29.9 | 0 | 0 | 0 | 108.8 | | |
| 155 | E | 60.6 | Low | 55.3 | Low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.3 | 174.2 | -73.3 | -167.2 | 168.1 | 0 | 0 | 110.3 | I153 I157 | I153-E155 PolarHBondContact O-N 3.34Å; E155-I157 PolarHBondContact O-N 2.7Å; E155-I157 VanDerWaalsContact O-N 3.15Å |
| 156 | P | 56.9 | Low | 56.6 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 117.5 | 179.4 | 28.1 | -31.8 | 0 | 0 | 0 | 108.5 | P158 | P156-P158 VanDerWaalsContact O-CD 3.23Å; P156-P158 WeakPolarHBondContact O-CD 3.38Å; P156-P158 VanDerWaalsContact O-N 3.09Å |
| 157 | I | 61.4 | Low | 58.4 | Low | 150 Ų | 150 | 133.1 Ų | 133.1 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 116.3 | 170.1 | -56.6 | 165.8 | 0 | 0 | 0 | 106.2 | E155 T159 | E155-I157 PolarHBondContact O-N 2.7Å; E155-I157 VanDerWaalsContact O-N 3.15Å; I157-T159 PolarHBondContact O-N 2.74Å |
| 158 | P | 63.5 | Low | 60.2 | Low | 98 Ų | 98 | 126.2 Ų | 126.2 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.1 | 170.4 | 25.7 | -29.8 | 0 | 0 | 0 | 106.1 | P156 V160 | P156-P158 VanDerWaalsContact O-CD 3.23Å; P156-P158 WeakPolarHBondContact O-CD 3.38Å; P156-P158 VanDerWaalsContact O-N 3.09Å; P158-V160 PolarHBondContact O-N 3.04Å |
| 159 | T | 62.7 | Low | 61.9 | Low | 136 Ų | 136 | 127.9 Ų | 127.9 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | | | trans | -61.9 | 88.4 | 167.4 | 49.1 | 0 | 0 | 0 | 0 | 106.6 | I157 D161 | I157-T159 PolarHBondContact O-N 2.74Å; T159-D161 PolarHBondContact O-N 2.73Å |
| 160 | V | 65.5 | Low | 63.8 | Low | 83 Ų | 83 | 126.4 Ų | 126.4 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | | | trans | -67.3 | 103.7 | 175 | 179 | 0 | 0 | 0 | 0 | 105.6 | P158 S162 | P158-V160 PolarHBondContact O-N 3.04Å; V160-S162 PolarHBondContact O-N 3.26Å; V160-S162 PolarHBondContact O-OG 3.25Å |
| 161 | D | 66.9 | Low | 65.3 | Low | 83 Ų | 83 | 125.6 Ų | 125.6 | 44% | 0.444 | 69% | 0.694 | S | S | . | * | | | trans | -48 | 113.1 | 172.9 | -172.2 | -5.6 | 0 | 0 | 0 | 108.8 | T159 H163 | T159-D161 PolarHBondContact O-N 2.73Å; D161-H163 WeakPolarHBondContact OD1-CB 3.45Å; D161-H163 IonicContact OD1-CD2 3.11Å; D161-H163 PolarHBondContact OD1-CD2 3.38Å; D161-H163 IonicContact OD1-CG 3.49Å; D161-H163 PolarHBondContact OD1-N 3.1Å |
| 162 | S | 66 | Low | 67.2 | Low | 82 Ų | 82 | 133 Ų | 133 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | | | trans | -101.6 | 13.5 | -179.4 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | V160 R170 | V160-S162 PolarHBondContact O-N 3.26Å; V160-S162 PolarHBondContact O-OG 3.25Å; S162-R170 PolarHBondContact OG-NH2 2.86Å |
| 163 | H | 67.9 | Low | 68.4 | Low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.787 | 70% | 0.699 | S | S | * | * | | | trans | -102.3 | -4.3 | -178.2 | -57 | -62 | 0 | 0 | 0 | 114.1 | D161 | D161-H163 WeakPolarHBondContact OD1-CB 3.45Å; D161-H163 IonicContact OD1-CD2 3.11Å; D161-H163 PolarHBondContact OD1-CD2 3.38Å; D161-H163 IonicContact OD1-CG 3.49Å; D161-H163 PolarHBondContact OD1-N 3.1Å |
| 164 | E | 74.5 | Confident | 69.4 | Low | 132 Ų | 132 | 128.6 Ų | 128.6 | 62% | 0.617 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -91.7 | 128.4 | 176.3 | -65.2 | -162.5 | 165.7 | 0 | 0 | 112.6 | R166 | E164-R166 WeakPolarHBondContact O-CG 3.5Å; E164-R166 PolarHBondContact O-N 3Å |
| 165 | P | 76 | Confident | 70 | Confident | 126 Ų | 126 | 129.1 Ų | 129.1 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | | | trans | -67.1 | 103.9 | 170.6 | 28.4 | -32.3 | 0 | 0 | 0 | 108.9 | | |
| 166 | R | 72.3 | Confident | 70.5 | Confident | 124 Ų | 124 | 129.2 Ų | 129.2 | 47% | 0.468 | 69% | 0.691 | S | S | . | * | | | trans | -83 | 124 | 178.3 | -55.8 | -179 | 77.8 | 94.6 | 1.1 | 109 | E164 G168 P171 | E164-R166 WeakPolarHBondContact O-CG 3.5Å; E164-R166 PolarHBondContact O-N 3Å; R166-G168 PolarHBondContact O-N 2.76Å; R166-P171 VanDerWaalsContact NH2-CD 3.31Å |
| 167 | L | 77.4 | Confident | 71.1 | Confident | 194 Ų | 194 | 128 Ų | 128 | 100% | 1.016 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -69.4 | 19.9 | 177.2 | -65.7 | 175.4 | 0 | 0 | 0 | 114.1 | | |
| 168 | G | 74.4 | Confident | 71.3 | Confident | 39 Ų | 39 | 127.9 Ų | 127.9 | 40% | 0.402 | 68% | 0.681 | S | S | . | * | S | Bend | trans | 174.2 | 173.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | R166 | R166-G168 PolarHBondContact O-N 2.76Š|
| 169 | P | 79.2 | Confident | 71.6 | Confident | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -54.1 | 143.9 | 179.6 | -23.6 | 33.3 | 0 | 0 | 0 | 111.5 | | |
| 170 | R | 76.5 | Confident | 71.7 | Confident | 136 Ų | 136 | 125 Ų | 125 | 51% | 0.513 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 129.1 | 174.2 | -84.2 | -179.4 | 163.5 | 143.3 | -2.4 | 109.1 | S162 R172 | S162-R170 PolarHBondContact OG-NH2 2.86Å; R170-R172 PolarHBondContact O-N 3.44Å; R170-R172 VanDerWaalsContact O-N 3.14Å |
| 171 | P | 75.8 | Confident | 71.7 | Confident | 100 Ų | 100 | 127.4 Ų | 127.4 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 124.5 | 172.2 | -25 | 33.7 | 0 | 0 | 0 | 108.7 | R166 S173 | R166-P171 VanDerWaalsContact NH2-CD 3.31Å; P171-S173 PolarHBondContact O-N 3.07Å |
| 172 | R | 75.4 | Confident | 71.7 | Confident | 234 Ų | 234 | 126.5 Ų | 126.5 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 126.5 | 175.4 | -78.8 | 179.3 | 130.9 | 130.7 | -2.6 | 107.5 | R170 H174 | R170-R172 PolarHBondContact O-N 3.44Å; R170-R172 VanDerWaalsContact O-N 3.14Å; R172-H174 PolarHBondContact O-N 2.99Å; R172-H174 VanDerWaalsContact O-N 3.12Å |
| 173 | S | 75.7 | Confident | 71.5 | Confident | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 123.3 | 164.8 | 51.9 | 0 | 0 | 0 | 0 | 106.8 | P171 N175 | P171-S173 PolarHBondContact O-N 3.07Å; S173-N175 PolarHBondContact O-N 2.86Å |
| 174 | H | 75.7 | Confident | 71.2 | Confident | 155 Ų | 155 | 128 Ų | 128 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | | | trans | -45 | 124.1 | -172.9 | -167.6 | 31.2 | 0 | 0 | 0 | 110.7 | R172 K176 | R172-H174 PolarHBondContact O-N 2.99Å; R172-H174 VanDerWaalsContact O-N 3.12Å; H174-K176 PolarHBondContact O-N 3.42Å |
| 175 | N | 66.3 | Low | 70.4 | Confident | 131 Ų | 131 | 125.2 Ų | 125.2 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | trans | -59.9 | 105.6 | 172.7 | -88.4 | -16 | 0 | 0 | 0 | 107.7 | S173 V177 | S173-N175 PolarHBondContact O-N 2.86Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 2.89Å |
| 176 | K | 71.1 | Confident | 69.8 | Low | 181 Ų | 181 | 124.5 Ų | 124.5 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | | | trans | -68.3 | 102.7 | 162.1 | -63.7 | -63 | -177.5 | 177 | 0 | 105.5 | H174 L178 | H174-K176 PolarHBondContact O-N 3.42Å; K176-L178 PolarHBondContact O-N 2.75Å |
| 177 | V | 68.5 | Low | 69.4 | Low | 95 Ų | 95 | 125 Ų | 125 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | | | trans | -67.9 | 102 | 174.5 | -171.1 | 0 | 0 | 0 | 0 | 105.9 | N175 N179 | N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 2.89Å; V177-N179 VanDerWaalsContact CG1-C 3.48Å; V177-N179 WeakPolarHBondContact CG1-O 3.26Å; V177-N179 PolarHBondContact O-N 3.09Å |
| 178 | L | 65.8 | Low | 68.9 | Low | 148 Ų | 148 | 120.4 Ų | 120.4 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -60 | -26.8 | 178.5 | -175.6 | 60.9 | 0 | 0 | 0 | 111.2 | K176 | K176-L178 PolarHBondContact O-N 2.75Š|
| 179 | N | 70 | Confident | 68.1 | Low | 126 Ų | 126 | 127 Ų | 127 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -133.7 | 93 | 179.8 | -61 | -46.6 | 0 | 0 | 0 | 109.6 | V177 | V177-N179 VanDerWaalsContact CG1-C 3.48Å; V177-N179 WeakPolarHBondContact CG1-O 3.26Å; V177-N179 PolarHBondContact O-N 3.09Å |
| 180 | P | 65.2 | Low | 67.4 | Low | 48 Ų | 48 | 135.4 Ų | 135.4 | 31% | 0.312 | 72% | 0.723 | S | S | . | * | | | trans | -55.1 | 146.6 | 175.8 | 23.7 | -32.3 | 0 | 0 | 0 | 110.2 | G182 S185 | P180-G182 CarbonylContact O-C 3.45Å; P180-G182 PolarHBondContact O-N 3.03Å; P180-G182 VanDerWaalsContact O-N 3.11Å; P180-S185 WeakPolarHBondContact CD-OG 3.49Å; P180-S185 WeakPolarHBondContact CG-OG 3.27Å |
| 181 | P | 65.9 | Low | 67 | Low | 134 Ų | 134 | 135.4 Ų | 135.4 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -59.4 | 119.2 | 173.5 | 23.1 | -30.2 | 0 | 0 | 0 | 108.7 | | |
| 182 | G | 67 | Low | 66.5 | Low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 106.3 | 80.9 | -160.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P180 K184 | P180-G182 CarbonylContact O-C 3.45Å; P180-G182 PolarHBondContact O-N 3.03Å; P180-G182 VanDerWaalsContact O-N 3.11Å; G182-K184 PolarHBondContact O-N 3.46Å |
| 183 | G | 60.8 | Low | 66 | Low | 70 Ų | 70 | 131.9 Ų | 131.9 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -53.4 | 137.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 184 | K | 62.7 | Low | 65.5 | Low | 212 Ų | 212 | 133.1 Ų | 133.1 | 92% | 0.922 | 73% | 0.727 | S | S | * | * | | | trans | 104.7 | 77.9 | 177.2 | -57.1 | 174.1 | -170.7 | -172.9 | 0 | 114.8 | G182 | G182-K184 PolarHBondContact O-N 3.46Š|
| 185 | S | 57.7 | Low | 64.8 | Low | 74 Ų | 74 | 131.8 Ų | 131.8 | 52% | 0.517 | 73% | 0.727 | S | S | . | * | | | trans | -141.9 | 96.1 | 148.6 | 64.2 | 0 | 0 | 0 | 0 | 109.9 | P180 | P180-S185 WeakPolarHBondContact CD-OG 3.49Å; P180-S185 WeakPolarHBondContact CG-OG 3.27Å |
| 186 | S | 63 | Low | 64.7 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | | | trans | -86.5 | 111.6 | 162.7 | 62.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 187 | I | 64.2 | Low | 64.3 | Low | 135 Ų | 135 | 128.3 Ų | 128.3 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | | | trans | -83.8 | 118.8 | 166.7 | -170.2 | 74.7 | 0 | 0 | 0 | 107.5 | F189 | I187-F189 HydrophobicContact CD1-CE1 4.19Å; I187-F189 HydrophobicContact CD1-CE2 3.92Å; I187-F189 HydrophobicContact CD1-CZ 3.6Å; I187-F189 HydrophobicContact CG1-CD2 3.93Å; I187-F189 HydrophobicContact CG1-CE1 4.35Å; I187-F189 HydrophobicContact CG1-CE2 3.21Å; I187-F189 HydrophobicContact CG1-CZ 3.46Å; I187-F189 VanDerWaalsContact CG1-CZ 3.46Å |
| 188 | S | 66.8 | Low | 63.9 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | trans | -120.1 | 128 | 172.3 | -57.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 189 | F | 57.1 | Low | 63.8 | Low | 178 Ų | 178 | 129.4 Ų | 129.4 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | | | trans | -110.8 | 129.4 | 170.8 | -64.3 | -78.8 | 0 | 0 | 0 | 107.8 | I187 | I187-F189 HydrophobicContact CD1-CE1 4.19Å; I187-F189 HydrophobicContact CD1-CE2 3.92Å; I187-F189 HydrophobicContact CD1-CZ 3.6Å; I187-F189 HydrophobicContact CG1-CD2 3.93Å; I187-F189 HydrophobicContact CG1-CE1 4.35Å; I187-F189 HydrophobicContact CG1-CE2 3.21Å; I187-F189 HydrophobicContact CG1-CZ 3.46Å; I187-F189 VanDerWaalsContact CG1-CZ 3.46Å |
| 190 | Y | 65.1 | Low | 63.2 | Low | 304 Ų | 304 | 129.7 Ų | 129.7 | 100% | 1.192 | 74% | 0.738 | S | S | * | * | | | trans | -72.4 | 0 | 172.4 | -89.2 | -89 | 0 | 0 | 0 | 111.4 | | |