| 1 | M | 48 | Very low | 50 | Low | 236 Ų | 236 | 150.9 Ų | 150.9 | 100% | 1.163 | 85% | 0.85 | S | S | * | * | | | | 0 | 145.2 | 0 | -68.3 | 178.3 | 176.3 | 0 | 0 | 106.1 | | |
| 2 | E | 49.5 | Very low | 50.2 | Low | 192 Ų | 192 | 155.2 Ų | 155.2 | 90% | 0.897 | 85% | 0.853 | S | S | * | * | | | trans | 93.4 | 93.2 | -171.6 | -53.9 | 179.8 | 109.5 | 0 | 0 | 114.5 | | |
| 3 | S | 45.8 | Very low | 50.1 | Low | 128 Ų | 128 | 152.2 Ų | 152.2 | 90% | 0.895 | 85% | 0.846 | S | S | * | * | | | trans | -111.3 | 103.5 | 165.8 | -58.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 4 | T | 51.2 | Low | 49.4 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 72% | 0.718 | 85% | 0.845 | S | S | * | * | | | trans | -130.5 | 87.7 | 173.1 | -47.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 5 | L | 53.3 | Low | 49.1 | Very low | 182 Ų | 182 | 151 Ų | 151 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | | | trans | -109.5 | 92.8 | 165.2 | -93.9 | 165.7 | 0 | 0 | 0 | 108.2 | | |
| 6 | S | 50 | Low | 48.7 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 66% | 0.664 | 84% | 0.838 | S | S | * | * | | | trans | -59.6 | 140.4 | 174.1 | -37.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 7 | A | 50.5 | Low | 48.2 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | trans | -27.1 | 128.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 8 | L | 55.3 | Low | 47.9 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | | | trans | -82.8 | 137.9 | 158.9 | -77.3 | 171.6 | 0 | 0 | 0 | 110.1 | | |
| 9 | P | 48.6 | Very low | 48.1 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 64% | 0.636 | 83% | 0.83 | S | S | * | * | | | trans | -80.9 | 138.9 | -169.5 | 31.2 | -33.5 | 0 | 0 | 0 | 112.4 | R11 | P9-R11 PolarHBondContact O-N 3.44Š|
| 10 | S | 46 | Very low | 48.7 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | trans | -52.6 | 103.1 | 160.7 | -74.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 11 | R | 51.4 | Low | 49.8 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | | | trans | -112.1 | 111 | 161.1 | -81.9 | -173.2 | 172.7 | -168.8 | -1 | 106.4 | P9 | P9-R11 PolarHBondContact O-N 3.44Š|
| 12 | F | 53.2 | Low | 51.1 | Low | 202 Ų | 202 | 137.4 Ų | 137.4 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | | | | -170.6 | 114.1 | 119.6 | -88.3 | -65 | 0 | 0 | 0 | 108 | | |
| 13 | P | 48 | Very low | 52.3 | Low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -78.5 | 144.7 | 175.3 | 31.8 | -30.4 | 0 | 0 | 0 | 110.5 | | |
| 14 | C | 40.4 | Very low | 53.9 | Low | 122 Ų | 122 | 130.8 Ų | 130.8 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -66.5 | 133.1 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 15 | H | 44.9 | Very low | 55.2 | Low | 164 Ų | 164 | 131 Ų | 131 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -159.3 | 122.9 | 155.9 | -96.1 | -72.2 | 0 | 0 | 0 | 110.2 | | |
| 16 | H | 43.8 | Very low | 56.4 | Low | 177 Ų | 177 | 127.8 Ų | 127.8 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 56.8 | 116.4 | 159.3 | -70.4 | -72.6 | 0 | 0 | 0 | 119.8 | | |
| 17 | G | 40 | Very low | 57.4 | Low | 61 Ų | 61 | 128.4 Ų | 128.4 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | 74.5 | 51.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | H19 | G17-H19 PolarHBondContact O-N 2.77Š|
| 18 | C | 41.9 | Very low | 58.3 | Low | 132 Ų | 132 | 129.8 Ų | 129.8 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | | | trans | -70.3 | 73.7 | 170.8 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | G20 | C18-G20 VanDerWaalsContact C-N 3.32Å; C18-G20 PolarHBondContact O-N 3.05Å |
| 19 | H | 52 | Low | 58.2 | Low | 182 Ų | 182 | 124.3 Ų | 124.3 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -65.6 | 100.9 | 156.4 | -65.1 | -71.9 | 0 | 0 | 0 | 106.2 | G17 | G17-H19 PolarHBondContact O-N 2.77Š|
| 20 | G | 60.8 | Low | 58.3 | Low | 53 Ų | 53 | 130.8 Ų | 130.8 | 55% | 0.546 | 78% | 0.776 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 166.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | C18 | C18-G20 VanDerWaalsContact C-N 3.32Å; C18-G20 PolarHBondContact O-N 3.05Å |
| 21 | P | 72.3 | Confident | 58.3 | Low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -52.4 | 141.7 | 177.9 | 24.2 | -33.7 | 0 | 0 | 0 | 110 | G23 | P21-G23 PolarHBondContact O-N 2.91Å; P21-G23 VanDerWaalsContact O-N 3.13Å |
| 22 | P | 73.8 | Confident | 58 | Low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 125 | 177.4 | 20.3 | -29.1 | 0 | 0 | 0 | 108.7 | | |
| 23 | G | 75.8 | Confident | 57.6 | Low | 58 Ų | 58 | 128.3 Ų | 128.3 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 159.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P21 | P21-G23 PolarHBondContact O-N 2.91Å; P21-G23 VanDerWaalsContact O-N 3.13Å |
| 24 | P | 79.6 | Confident | 57.5 | Low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56 | 149.1 | 177.2 | 25.6 | -34.1 | 0 | 0 | 0 | 110.7 | S26 | P24-S26 PolarHBondContact O-N 3.1Š|
| 25 | P | 78.8 | Confident | 57.9 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 137.3 | 175.5 | 24.1 | -32.7 | 0 | 0 | 0 | 109.5 | | |
| 26 | S | 78 | Confident | 58.6 | Low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 134.6 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 109 | P24 | P24-S26 PolarHBondContact O-N 3.1Š|
| 27 | P | 71.3 | Confident | 59.3 | Low | 108 Ų | 108 | 121 Ų | 121 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 147.6 | 175.4 | 24.4 | -32.5 | 0 | 0 | 0 | 109.1 | G29 | P27-G29 PolarHBondContact O-N 3.4Š|
| 28 | P | 69.1 | Low | 59.9 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 122.3 | 175.6 | 18.9 | -29 | 0 | 0 | 0 | 108.1 | R30 | P28-R30 PolarHBondContact O-N 3.14Š|
| 29 | G | 53.2 | Low | 60.2 | Low | 57 Ų | 57 | 127 Ų | 127 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 130.4 | -175 | 0 | 0 | 0 | 0 | 0 | 108.8 | P27 H31 | P27-G29 PolarHBondContact O-N 3.4Å; G29-H31 VanDerWaalsContact C-N 3.34Å; G29-H31 PolarHBondContact O-N 3.09Å |
| 30 | R | 49.5 | Very low | 60 | Low | 233 Ų | 233 | 124.4 Ų | 124.4 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -53.4 | 111.5 | 165.1 | -77.6 | -179.1 | 163.9 | -131.2 | -2.2 | 105 | P28 D32 | P28-R30 PolarHBondContact O-N 3.14Å; R30-D32 PolarHBondContact O-N 3Å |
| 31 | H | 46.8 | Very low | 59.1 | Low | 161 Ų | 161 | 124.5 Ų | 124.5 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | | | trans | -59.5 | 96.8 | 160.5 | -72.9 | -81 | 0 | 0 | 0 | 104.2 | G29 F33 | G29-H31 VanDerWaalsContact C-N 3.34Å; G29-H31 PolarHBondContact O-N 3.09Å; H31-F33 HydrophobicContact CB-CD2 4.4Å; H31-F33 HydrophobicContact CB-CE2 4.23Å; H31-F33 PolarHBondContact O-N 3.31Å |
| 32 | D | 46 | Very low | 57.9 | Low | 137 Ų | 137 | 124.7 Ų | 124.7 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -52.9 | 97.9 | 152.3 | -75.4 | -46.6 | 0 | 0 | 0 | 103.7 | R30 S34 | R30-D32 PolarHBondContact O-N 3Å; D32-S34 PolarHBondContact O-N 3.15Å; D32-S34 PolarHBondContact O-OG 3.33Å |
| 33 | F | 43.4 | Very low | 56.4 | Low | 196 Ų | 196 | 130.7 Ų | 130.7 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -64 | 78.6 | 159.9 | -77.8 | -83 | 0 | 0 | 0 | 105.1 | H31 S35 | H31-F33 HydrophobicContact CB-CD2 4.4Å; H31-F33 HydrophobicContact CB-CE2 4.23Å; H31-F33 PolarHBondContact O-N 3.31Å; F33-S35 VanDerWaalsContact C-N 3.32Å; F33-S35 PolarHBondContact O-N 2.95Å |
| 34 | S | 46.7 | Very low | 54.9 | Low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -53.4 | 104.1 | 165 | -60.3 | 0 | 0 | 0 | 0 | 104.3 | D32 | D32-S34 PolarHBondContact O-N 3.15Å; D32-S34 PolarHBondContact O-OG 3.33Å |
| 35 | S | 48.7 | Very low | 53.3 | Low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | 45.8 | 115.2 | 163.2 | -51.1 | 0 | 0 | 0 | 0 | 116.3 | F33 | F33-S35 VanDerWaalsContact C-N 3.32Å; F33-S35 PolarHBondContact O-N 2.95Å |
| 36 | P | 58.4 | Low | 51.7 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -55.7 | 141.5 | 161.8 | 27.3 | -32.3 | 0 | 0 | 0 | 108.3 | D38 | P36-D38 PolarHBondContact O-N 3.29Š|
| 37 | P | 60.4 | Low | 50.1 | Low | 107 Ų | 107 | 138.5 Ų | 138.5 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | trans | -55.6 | 135.4 | 174.7 | 24.3 | -32.1 | 0 | 0 | 0 | 108.4 | L39 | P37-L39 PolarHBondContact O-N 2.67Š|
| 38 | D | 50.9 | Low | 49.1 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | | | trans | -47.3 | 100.1 | 174.1 | -95.2 | -44.6 | 0 | 0 | 0 | 109.8 | P36 | P36-D38 PolarHBondContact O-N 3.29Š|
| 39 | L | 49 | Very low | 47.9 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -80.5 | 132.5 | 168 | -72.9 | 174.3 | 0 | 0 | 0 | 107.2 | P37 G41 | P37-L39 PolarHBondContact O-N 2.67Å; L39-G41 PolarHBondContact O-N 2.78Å |
| 40 | P | 48.6 | Very low | 47.3 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -62.7 | 107.6 | -176.8 | 24.7 | -31.8 | 0 | 0 | 0 | 109.5 | | |
| 41 | G | 40 | Very low | 47.2 | Very low | 56 Ų | 56 | 136.9 Ų | 136.9 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | | | trans | -59.1 | 153 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L39 R43 | L39-G41 PolarHBondContact O-N 2.78Å; G41-R43 PolarHBondContact O-N 3.38Å; G41-R43 VanDerWaalsContact O-N 3.11Å |
| 42 | P | 47.6 | Very low | 47 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -64.1 | 117.6 | -170.6 | 26.7 | -32.9 | 0 | 0 | 0 | 109.9 | S44 | P42-S44 VanDerWaalsContact C-N 3.31Å; P42-S44 PolarHBondContact O-N 3.13Å |
| 43 | R | 43.2 | Very low | 47 | Very low | 254 Ų | 254 | 140 Ų | 140 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | | | trans | -60 | 98.9 | 167.9 | -71.5 | -179 | 87 | 169.5 | 5.6 | 107.8 | G41 | G41-R43 PolarHBondContact O-N 3.38Å; G41-R43 VanDerWaalsContact O-N 3.11Å |
| 44 | S | 44.6 | Very low | 47 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 144.8 | 177.4 | -142.5 | 0 | 0 | 0 | 0 | 109.5 | P42 | P42-S44 VanDerWaalsContact C-N 3.31Å; P42-S44 PolarHBondContact O-N 3.13Å |
| 45 | R | 45.9 | Very low | 46.7 | Very low | 216 Ų | 216 | 136.7 Ų | 136.7 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | | | trans | 77.5 | 71.6 | 155.4 | -52.1 | 176.7 | -166.8 | -152.7 | 2.3 | 117.1 | | |
| 46 | H | 45.2 | Very low | 46.2 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 89% | 0.889 | 79% | 0.794 | S | S | * | * | | | | -151.5 | 107 | 123.4 | -79.8 | -65.6 | 0 | 0 | 0 | 106 | | |
| 47 | G | 43.4 | Very low | 45.2 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 48 | P | 50.5 | Low | 44.4 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 144.1 | 175.4 | 30.3 | -31.5 | 0 | 0 | 0 | 110.5 | | |
| 49 | P | 43.8 | Very low | 43.7 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 140 | -177.9 | 29.2 | -32.2 | 0 | 0 | 0 | 111.7 | | |
| 50 | G | 41.4 | Very low | 43.4 | Very low | 62 Ų | 62 | 147 Ų | 147 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | | | trans | 126.6 | 53.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 51 | L | 46.6 | Very low | 43.5 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | trans | -132.5 | 98.1 | 150 | -69.9 | 176.7 | 0 | 0 | 0 | 109.2 | I53 | L51-I53 PolarHBondContact O-N 3.33Š|
| 52 | F | 42.4 | Very low | 43.6 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | | | trans | -56.9 | 121.7 | 170 | -90.4 | -107.6 | 0 | 0 | 0 | 109.7 | P54 | F52-P54 WeakPolarHBondContact O-CD 3.34Š|
| 53 | I | 46.7 | Very low | 43.5 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | | | trans | -101 | 105.8 | 163.2 | -55.6 | 179.2 | 0 | 0 | 0 | 106.3 | L51 S55 | L51-I53 PolarHBondContact O-N 3.33Å; I53-S55 PolarHBondContact O-N 3.27Å |
| 54 | P | 43.8 | Very low | 43.7 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -68.5 | 122.4 | 174.3 | 26.5 | -29.1 | 0 | 0 | 0 | 108.8 | F52 | F52-P54 WeakPolarHBondContact O-CD 3.34Š|
| 55 | S | 39.1 | Very low | 43.6 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -61.5 | 135.2 | 171.3 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | I53 | I53-S55 PolarHBondContact O-N 3.27Š|
| 56 | S | 38.5 | Very low | 43.5 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | | | trans | 61.3 | 104.6 | 150.9 | -60.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 57 | R | 38.1 | Very low | 43.4 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | | 164.6 | 104.8 | 124.7 | -87.6 | 157.6 | -166.6 | -145.9 | 5.6 | 106 | | |
| 58 | H | 42.9 | Very low | 43.7 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | | | | -167.3 | 123.1 | 129.8 | -103.6 | 38.5 | 0 | 0 | 0 | 109.9 | F60 | H58-F60 PolarHBondContact O-N 2.84Š|
| 59 | N | 36.1 | Very low | 43.2 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -45 | 117.4 | 169.6 | -79.3 | -73.8 | 0 | 0 | 0 | 110.9 | | |
| 60 | F | 43.7 | Very low | 43.2 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -108.8 | 129.7 | 152.5 | -79.2 | -83.9 | 0 | 0 | 0 | 107.3 | H58 D62 | H58-F60 PolarHBondContact O-N 2.84Å; F60-D62 PolarHBondContact O-N 3.11Å |
| 61 | P | 49.7 | Very low | 43.4 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -69 | 127.7 | -176 | 29.3 | -31.7 | 0 | 0 | 0 | 109.4 | Q63 | P61-Q63 PolarHBondContact O-N 2.91Š|
| 62 | D | 43.5 | Very low | 43.3 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | 24.2 | 79.1 | 158.5 | -63.8 | -44.5 | 0 | 0 | 0 | 116.3 | F60 P64 | F60-D62 PolarHBondContact O-N 3.11Å; D62-P64 WeakPolarHBondContact O-CD 3.44Å |
| 63 | Q | 44.6 | Very low | 43.2 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 119.7 | 153.9 | -75.7 | -155.5 | -51.4 | 0 | 0 | 108.9 | P61 G65 | P61-Q63 PolarHBondContact O-N 2.91Å; Q63-G65 PolarHBondContact O-N 2.81Å |
| 64 | P | 47.2 | Very low | 42.9 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 131.9 | 166.2 | -16.7 | 29.9 | 0 | 0 | 0 | 108.9 | D62 | D62-P64 WeakPolarHBondContact O-CD 3.44Š|
| 65 | G | 41.7 | Very low | 43.1 | Very low | 73 Ų | 73 | 143.7 Ų | 143.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 139 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116 | Q63 | Q63-G65 PolarHBondContact O-N 2.81Š|
| 66 | L | 44.1 | Very low | 43.5 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 127.9 | 172.8 | -66.8 | 171.5 | 0 | 0 | 0 | 109.7 | V68 | L66-V68 PolarHBondContact O-N 2.82Š|
| 67 | P | 44.5 | Very low | 43.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129 | 178.8 | 23.4 | -29.3 | 0 | 0 | 0 | 109.4 | R69 | P67-R69 PolarHBondContact O-N 3.24Š|
| 68 | V | 49 | Very low | 43.9 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -42.7 | 131.5 | 172 | 173 | 0 | 0 | 0 | 0 | 109.8 | L66 S70 | L66-V68 PolarHBondContact O-N 2.82Å; V68-S70 PolarHBondContact O-N 2.85Å |
| 69 | R | 39 | Very low | 44.1 | Very low | 235 Ų | 235 | 141.4 Ų | 141.4 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -25.1 | 99.6 | 176.3 | -78.6 | -178.2 | 160.2 | -175 | -4.8 | 112.9 | P67 S71 | P67-R69 PolarHBondContact O-N 3.24Å; R69-S71 PolarHBondContact O-N 3.03Å; R69-S71 VanDerWaalsContact O-N 3.11Å |
| 70 | S | 43.8 | Very low | 44.5 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -70.2 | 104.8 | 162.5 | 18.1 | 0 | 0 | 0 | 0 | 108 | V68 Q72 | V68-S70 PolarHBondContact O-N 2.85Å; S70-Q72 PolarHBondContact O-N 2.71Å |
| 71 | S | 45.5 | Very low | 44.9 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -40.7 | 128.6 | 167.5 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | R69 | R69-S71 PolarHBondContact O-N 3.03Å; R69-S71 VanDerWaalsContact O-N 3.11Å |
| 72 | Q | 44.5 | Very low | 44.9 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | 38.3 | 130.4 | 160.9 | -67.5 | -175.6 | -56.3 | 0 | 0 | 118.3 | S70 G74 | S70-Q72 PolarHBondContact O-N 2.71Å; Q72-G74 PolarHBondContact O-N 3.36Å |
| 73 | P | 40.3 | Very low | 45.3 | Very low | 140 Ų | 140 | 139 Ų | 139 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -62.9 | 88.8 | 159.2 | -12 | 27.1 | 0 | 0 | 0 | 108.7 | | |
| 74 | G | 41.7 | Very low | 45.9 | Very low | 62 Ų | 62 | 138.8 Ų | 138.8 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | trans | -60 | 139.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q72 | Q72-G74 PolarHBondContact O-N 3.36Š|
| 75 | L | 47.9 | Very low | 47 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -37.3 | 142 | 171.1 | -65.9 | 165.7 | 0 | 0 | 0 | 110.5 | G77 | L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 3.05Å |
| 76 | P | 46.9 | Very low | 48.7 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -57.8 | 94.3 | -177.7 | 22.5 | -31.5 | 0 | 0 | 0 | 110 | | |
| 77 | G | 39.9 | Very low | 50.3 | Low | 40 Ų | 40 | 140.6 Ų | 140.6 | 41% | 0.412 | 77% | 0.768 | S | S | . | * | | | trans | -63 | 146.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108 | L75 H79 | L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 3.05Å; G77-H79 VanDerWaalsContact C-CD2 3.47Å; G77-H79 PolarHBondContact O-CD2 2.78Å; G77-H79 PolarHBondContact O-N 2.86Å |
| 78 | R | 46.3 | Very low | 52 | Low | 238 Ų | 238 | 139.9 Ų | 139.9 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -63.1 | 64.5 | -169.7 | -62.3 | 179.2 | 171.3 | -153.4 | -1.5 | 113.4 | | |
| 79 | H | 45.4 | Very low | 53.4 | Low | 162 Ų | 162 | 138.8 Ų | 138.8 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | | | trans | -107.6 | 68.1 | -178.2 | -54.7 | -59.6 | 0 | 0 | 0 | 109.3 | G77 | G77-H79 VanDerWaalsContact C-CD2 3.47Å; G77-H79 PolarHBondContact O-CD2 2.78Å; G77-H79 PolarHBondContact O-N 2.86Å |
| 80 | G | 44.6 | Very low | 55.2 | Low | 53 Ų | 53 | 132.7 Ų | 132.7 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | | | trans | -142 | 12.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 81 | R | 51.9 | Low | 56.9 | Low | 228 Ų | 228 | 131.1 Ų | 131.1 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | | | trans | -108.3 | 28.7 | -176.3 | -69.8 | -161.2 | 173.7 | -156.8 | -0.5 | 113.5 | | |
| 82 | H | 50.1 | Low | 58 | Low | 134 Ų | 134 | 132.6 Ų | 132.6 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -124.6 | 109.3 | 179.5 | -49.2 | -76.5 | 0 | 0 | 0 | 106.8 | | |
| 83 | N | 51.9 | Low | 58.9 | Low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 102.6 | 19.3 | 169.7 | -46.2 | -44.6 | 0 | 0 | 0 | 119.6 | | |
| 84 | H | 57.3 | Low | 59.7 | Low | 162 Ų | 162 | 127.3 Ų | 127.3 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 128.1 | 163.1 | -66.2 | -66.2 | 0 | 0 | 0 | 110.6 | | |
| 85 | P | 71.5 | Confident | 60.5 | Low | 107 Ų | 107 | 131.4 Ų | 131.4 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.5 | 168.4 | 26.6 | -32.5 | 0 | 0 | 0 | 109.4 | I87 | P85-I87 PolarHBondContact O-N 2.8Š|
| 86 | P | 76.4 | Confident | 61.2 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.4 | 176.4 | 23.5 | -31.7 | 0 | 0 | 0 | 110.1 | | |
| 87 | I | 77.9 | Confident | 61.3 | Low | 158 Ų | 158 | 129.1 Ų | 129.1 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126.5 | 172.1 | -59.6 | 173.9 | 0 | 0 | 0 | 107.2 | P85 | P85-I87 PolarHBondContact O-N 2.8Š|
| 88 | P | 80.1 | Confident | 62.1 | Low | 101 Ų | 101 | 130.7 Ų | 130.7 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 144.2 | 178 | 25.6 | -32.7 | 0 | 0 | 0 | 110.5 | | |
| 89 | P | 78.3 | Confident | 62.3 | Low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 146.8 | 174.7 | 26.4 | -33.5 | 0 | 0 | 0 | 110 | | |
| 90 | P | 77.6 | Confident | 62.7 | Low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.8 | 174.8 | 26 | -33.3 | 0 | 0 | 0 | 109.9 | | |
| 91 | P | 78 | Confident | 63 | Low | 80 Ų | 80 | 127.5 Ų | 127.5 | 52% | 0.519 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 140.9 | 178.7 | 22.2 | -30.3 | 0 | 0 | 0 | 110.4 | G93 L94 | P91-G93 PolarHBondContact O-N 3.23Å; P91-L94 HydrophobicContact CG-CD1 3.63Å; P91-L94 HydrophobicContact CG-CG 3.96Å |
| 92 | P | 70.3 | Confident | 62.9 | Low | 140 Ų | 140 | 124.7 Ų | 124.7 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 126.5 | 173 | -18.3 | 29.1 | 0 | 0 | 0 | 109.2 | | |
| 93 | G | 63.1 | Low | 63 | Low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.7 | 8.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | P91 H95 | P91-G93 PolarHBondContact O-N 3.23Å; G93-H95 PolarHBondContact O-N 2.88Å; G93-H95 VanDerWaalsContact O-N 3.08Å |
| 94 | L | 57.2 | Low | 62.9 | Low | 133 Ų | 133 | 125.7 Ų | 125.7 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | | | trans | -79.2 | 34.8 | 163.9 | -67.2 | 179 | 0 | 0 | 0 | 112.9 | P91 M96 | P91-L94 HydrophobicContact CG-CD1 3.63Å; P91-L94 HydrophobicContact CG-CG 3.96Å; L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 PolarHBondContact O-N 2.77Å |
| 95 | H | 57.8 | Low | 62.2 | Low | 149 Ų | 149 | 123.1 Ų | 123.1 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | | | trans | -79.9 | 88.7 | 169 | -169.3 | -165.7 | 0 | 0 | 0 | 107.3 | G93 P97 | G93-H95 PolarHBondContact O-N 2.88Å; G93-H95 VanDerWaalsContact O-N 3.08Å; H95-P97 VanDerWaalsContact O-CD 3.23Å; H95-P97 WeakPolarHBondContact O-CD 3.49Å; H95-P97 VanDerWaalsContact O-N 3.16Å |
| 96 | M | 62 | Low | 61.1 | Low | 121 Ų | 121 | 123.9 Ų | 123.9 | 60% | 0.596 | 73% | 0.726 | S | S | * | * | | | trans | -56.2 | 115.9 | 166.8 | -76.7 | -74.8 | -68.5 | 0 | 0 | 108.2 | L94 G98 H99 | L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 PolarHBondContact O-N 2.77Å; M96-G98 PolarHBondContact O-N 2.96Å; M96-H99 HydrophobicContact CB-CB 4.45Å; M96-H99 PolarHBondContact O-N 3Å; M96-H99 VanDerWaalsContact O-N 3.14Å |
| 97 | P | 50.1 | Low | 59.9 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 102 | 176.8 | -13 | 27.2 | 0 | 0 | 0 | 107.8 | H95 | H95-P97 VanDerWaalsContact O-CD 3.23Å; H95-P97 WeakPolarHBondContact O-CD 3.49Å; H95-P97 VanDerWaalsContact O-N 3.16Å |
| 98 | G | 56.9 | Low | 58.5 | Low | 72 Ų | 72 | 120.6 Ų | 120.6 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.7 | -10.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | M96 Q100 | M96-G98 PolarHBondContact O-N 2.96Å; G98-Q100 VanDerWaalsContact C-N 3.34Å; G98-Q100 PolarHBondContact O-N 2.95Å |
| 99 | H | 50 | Low | 56.8 | Low | 140 Ų | 140 | 118.9 Ų | 118.9 | 65% | 0.648 | 72% | 0.715 | S | S | * | * | | | trans | -91.9 | 71.8 | 166.2 | -82.5 | -67.6 | 0 | 0 | 0 | 109.8 | M96 S101 | M96-H99 HydrophobicContact CB-CB 4.45Å; M96-H99 PolarHBondContact O-N 3Å; M96-H99 VanDerWaalsContact O-N 3.14Å; H99-S101 PolarHBondContact O-N 2.97Å |
| 100 | Q | 53.1 | Low | 55.6 | Low | 157 Ų | 157 | 119.6 Ų | 119.6 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | | | trans | -65.7 | 105.9 | 160.3 | -66.7 | -160.5 | -17.2 | 0 | 0 | 107 | G98 H102 | G98-Q100 VanDerWaalsContact C-N 3.34Å; G98-Q100 PolarHBondContact O-N 2.95Å; Q100-H102 VanDerWaalsContact C-N 3.31Å; Q100-H102 PolarHBondContact O-CD2 2.58Å; Q100-H102 PolarHBondContact O-N 3.27Å |
| 101 | S | 51.5 | Low | 54.2 | Low | 89 Ų | 89 | 120.9 Ų | 120.9 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | | | trans | -59.7 | 99.3 | 166.4 | 37.3 | 0 | 0 | 0 | 0 | 107.7 | H99 Y103 | H99-S101 PolarHBondContact O-N 2.97Å; S101-Y103 PolarHBondContact O-N 2.93Å |
| 102 | H | 50.9 | Low | 53.2 | Low | 169 Ų | 169 | 120.6 Ų | 120.6 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 24.1 | 174 | -67.8 | -68.8 | 0 | 0 | 0 | 113.6 | Q100 | Q100-H102 VanDerWaalsContact C-N 3.31Å; Q100-H102 PolarHBondContact O-CD2 2.58Å; Q100-H102 PolarHBondContact O-N 3.27Å |
| 103 | Y | 51.4 | Low | 52.4 | Low | 210 Ų | 210 | 120.4 Ų | 120.4 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 7.7 | -175 | -76.3 | -75.8 | 0 | 0 | 0 | 113.9 | S101 | S101-Y103 PolarHBondContact O-N 2.93Š|
| 104 | S | 50.5 | Low | 52.2 | Low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | | | trans | -125.5 | 16.9 | -177.5 | -56.4 | 0 | 0 | 0 | 0 | 114.1 | S106 | S104-S106 PolarHBondContact O-N 3.27Š|
| 105 | D | 42.8 | Very low | 51.9 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 58% | 0.578 | 71% | 0.708 | S | S | * | * | | | trans | -93.2 | 77.4 | 173.5 | -139.1 | -14.6 | 0 | 0 | 0 | 109.9 | S107 V108 | D105-S107 PolarHBondContact O-N 3.44Å; D105-S107 PolarHBondContact OD1-OG 2.71Å; D105-V108 HydrophobicContact CB-CG2 3.94Å; D105-V108 PolarHBondContact O-N 3.11Å |
| 106 | S | 47.7 | Very low | 52.1 | Low | 124 Ų | 124 | 117 Ų | 117 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 7 | 172.2 | -51 | 0 | 0 | 0 | 0 | 113.2 | S104 | S104-S106 PolarHBondContact O-N 3.27Š|
| 107 | S | 51.1 | Low | 51.9 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -5.5 | -178.5 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | D105 | D105-S107 PolarHBondContact O-N 3.44Å; D105-S107 PolarHBondContact OD1-OG 2.71Å |
| 108 | V | 48.4 | Very low | 51.9 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | | | trans | -108.2 | 26.6 | 175.9 | -126.1 | 0 | 0 | 0 | 0 | 112.8 | D105 L110 | D105-V108 HydrophobicContact CB-CG2 3.94Å; D105-V108 PolarHBondContact O-N 3.11Å; V108-L110 PolarHBondContact O-N 3.35Å |
| 109 | G | 44.6 | Very low | 51.8 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 66% | 0.66 | 70% | 0.701 | S | S | * | * | | | trans | -70.5 | 109.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 110 | L | 52.4 | Low | 52 | Low | 131 Ų | 131 | 122.2 Ų | 122.2 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | | | trans | -54.6 | 131.9 | 161.4 | -72.4 | 171.7 | 0 | 0 | 0 | 108.3 | V108 G112 L113 | V108-L110 PolarHBondContact O-N 3.35Å; L110-G112 PolarHBondContact O-N 2.65Å; L110-L113 HydrophobicContact CD1-CD1 4.49Å |
| 111 | P | 49.2 | Very low | 51.9 | Low | 134 Ų | 134 | 121.7 Ų | 121.7 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 116.7 | 178.4 | 23.6 | -31.2 | 0 | 0 | 0 | 109.3 | | |
| 112 | G | 55.4 | Low | 51.6 | Low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.9 | 7.3 | 167 | 0 | 0 | 0 | 0 | 0 | 117.9 | L110 | L110-G112 PolarHBondContact O-N 2.65Š|
| 113 | L | 54.9 | Low | 51.6 | Low | 135 Ų | 135 | 119.6 Ų | 119.6 | 71% | 0.707 | 71% | 0.71 | S | S | * | * | | | trans | -102.5 | 115.2 | 171.7 | -68.4 | 176.1 | 0 | 0 | 0 | 110.8 | L110 S115 | L110-L113 HydrophobicContact CD1-CD1 4.49Å; L113-S115 PolarHBondContact O-N 3.27Å |
| 114 | P | 59 | Low | 51.6 | Low | 117 Ų | 117 | 116.7 Ų | 116.7 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | | | trans | -63.9 | 125 | 173.7 | 25.6 | -31.1 | 0 | 0 | 0 | 109 | | |
| 115 | S | 51.3 | Low | 51.6 | Low | 58 Ų | 58 | 121.3 Ų | 121.3 | 41% | 0.406 | 71% | 0.712 | S | S | . | * | | | trans | -61 | 132 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | L113 Y117 D118 | L113-S115 PolarHBondContact O-N 3.27Å; S115-Y117 PolarHBondContact O-N 3.39Å; S115-D118 PolarHBondContact O-N 3.26Å |
| 116 | P | 60.9 | Low | 51.9 | Low | 112 Ų | 112 | 118.6 Ų | 118.6 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -4.9 | 179.2 | 28 | -33.5 | 0 | 0 | 0 | 112.9 | | |
| 117 | Y | 57.4 | Low | 52 | Low | 188 Ų | 188 | 120 Ų | 120 | 74% | 0.737 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -0.8 | 175.3 | -56.8 | -74.7 | 0 | 0 | 0 | 113.3 | S115 T119 | S115-Y117 PolarHBondContact O-N 3.39Å; Y117-T119 PolarHBondContact O-N 3.41Å |
| 118 | D | 50.9 | Low | 52.3 | Low | 106 Ų | 106 | 122.3 Ų | 122.3 | 57% | 0.567 | 71% | 0.714 | S | S | * | * | | | trans | -79.9 | 48.9 | 166.3 | -105.4 | -45.4 | 0 | 0 | 0 | 110.5 | S115 Q120 | S115-D118 PolarHBondContact O-N 3.26Å; D118-Q120 PolarHBondContact O-N 2.94Å |
| 119 | T | 54.4 | Low | 52.8 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | | | trans | -71.1 | 79.5 | 147.6 | 29.8 | 0 | 0 | 0 | 0 | 106.3 | Y117 V121 | Y117-T119 PolarHBondContact O-N 3.41Å; T119-V121 VanDerWaalsContact C-N 3.26Å; T119-V121 PolarHBondContact O-N 3.11Å |
| 120 | Q | 54.4 | Low | 53.3 | Low | 163 Ų | 163 | 124.7 Ų | 124.7 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | -56.6 | 106.5 | 156 | -75.6 | -169.4 | 9.3 | 0 | 0 | 106.1 | D118 G122 | D118-Q120 PolarHBondContact O-N 2.94Å; Q120-G122 PolarHBondContact O-N 2.79Å |
| 121 | V | 50.6 | Low | 54 | Low | 146 Ų | 146 | 124.7 Ų | 124.7 | 89% | 0.885 | 72% | 0.724 | S | S | * | * | | | trans | -59.4 | 82 | 163.4 | -173.8 | 0 | 0 | 0 | 0 | 105.7 | T119 | T119-V121 VanDerWaalsContact C-N 3.26Å; T119-V121 PolarHBondContact O-N 3.11Å |
| 122 | G | 46.3 | Very low | 54.8 | Low | 59 Ų | 59 | 123.7 Ų | 123.7 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | | | trans | -144.5 | 60.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | Q120 D124 | Q120-G122 PolarHBondContact O-N 2.79Å; G122-D124 PolarHBondContact O-N 3.44Å |
| 123 | H | 49 | Very low | 55.6 | Low | 155 Ų | 155 | 124.3 Ų | 124.3 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | | | trans | -65.1 | 85.8 | 153.7 | -68.1 | -60.3 | 0 | 0 | 0 | 105.2 | Y125 | H123-Y125 HydrophobicContact CB-CD2 3.79Å; H123-Y125 HydrophobicContact CB-CE2 3.57Å; H123-Y125 WeakPolarHBondContact O-CD2 3.45Å; H123-Y125 PolarHBondContact O-N 2.88Å |
| 124 | D | 52.5 | Low | 56.5 | Low | 148 Ų | 148 | 123.9 Ų | 123.9 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | trans | -59.4 | 81.6 | 155.8 | -160.6 | 9.7 | 0 | 0 | 0 | 104.8 | G122 G126 | G122-D124 PolarHBondContact O-N 3.44Å; D124-G126 PolarHBondContact O-N 3.37Å |
| 125 | Y | 50 | Low | 57.1 | Low | 199 Ų | 199 | 124.3 Ų | 124.3 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | | | trans | -63.5 | 94.6 | 160.8 | -77.1 | -81.7 | 0 | 0 | 0 | 103.5 | H123 H127 | H123-Y125 HydrophobicContact CB-CD2 3.79Å; H123-Y125 HydrophobicContact CB-CE2 3.57Å; H123-Y125 WeakPolarHBondContact O-CD2 3.45Å; H123-Y125 PolarHBondContact O-N 2.88Å; Y125-H127 PolarHBondContact O-N 3.31Å |
| 126 | G | 50.3 | Low | 58 | Low | 50 Ų | 50 | 126.5 Ų | 126.5 | 52% | 0.515 | 73% | 0.734 | S | S | . | * | | | trans | -40 | 135.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D124 | D124-G126 PolarHBondContact O-N 3.37Š|
| 127 | H | 49 | Very low | 58.4 | Low | 153 Ų | 153 | 126.8 Ų | 126.8 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | | | trans | -35.9 | 130.1 | 173.9 | -94.5 | -81.7 | 0 | 0 | 0 | 110.1 | Y125 G129 E130 | Y125-H127 PolarHBondContact O-N 3.31Å; H127-G129 PolarHBondContact O-N 2.67Å; H127-E130 PolarHBondContact O-N 3.5Å |
| 128 | P | 57.4 | Low | 58.6 | Low | 145 Ų | 145 | 125.2 Ų | 125.2 | 94% | 0.942 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 16.8 | 179.1 | 26 | -34.2 | 0 | 0 | 0 | 114.2 | | |
| 129 | G | 59 | Low | 59 | Low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -7.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H127 T131 | H127-G129 PolarHBondContact O-N 2.67Å; G129-T131 PolarHBondContact O-N 3.04Å |
| 130 | E | 54.8 | Low | 59.2 | Low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | trans | -92.4 | 95.7 | 179.9 | -64.9 | -163.3 | 149.3 | 0 | 0 | 110.7 | H127 P132 | H127-E130 PolarHBondContact O-N 3.5Å; E130-P132 WeakPolarHBondContact O-CD 3.23Å |
| 131 | T | 66.9 | Low | 59.5 | Low | 131 Ų | 131 | 127.4 Ų | 127.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.6 | 171 | -59.6 | 0 | 0 | 0 | 0 | 108.7 | G129 | G129-T131 PolarHBondContact O-N 3.04Š|
| 132 | P | 67.4 | Low | 59.8 | Low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 140.5 | 174 | 23.9 | -30.6 | 0 | 0 | 0 | 109.9 | E130 | E130-P132 WeakPolarHBondContact O-CD 3.23Š|
| 133 | A | 70.3 | Confident | 60.2 | Low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 145.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | T135 | A133-T135 PolarHBondContact O-N 3.29Š|
| 134 | P | 74.6 | Confident | 60.9 | Low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 129.7 | 178.5 | 23.2 | -31.7 | 0 | 0 | 0 | 110.6 | | |
| 135 | T | 71.2 | Confident | 61.2 | Low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.6 | 176.1 | -21.5 | 0 | 0 | 0 | 0 | 109 | A133 | A133-T135 PolarHBondContact O-N 3.29Š|
| 136 | P | 71 | Confident | 61.5 | Low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 152.3 | 176.1 | 24.7 | -33 | 0 | 0 | 0 | 110.7 | L138 | P136-L138 PolarHBondContact O-N 3.39Å; P136-L138 VanDerWaalsContact O-N 3.15Å |
| 137 | P | 68.9 | Low | 62.1 | Low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.9 | -178.4 | -18.8 | 29.9 | 0 | 0 | 0 | 110.3 | H139 | P137-H139 PolarHBondContact O-N 3.24Å; P137-H139 VanDerWaalsContact O-N 3.1Å |
| 138 | L | 62.1 | Low | 63.1 | Low | 156 Ų | 156 | 144.7 Ų | 144.7 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -63.6 | 114.4 | 170.6 | -122.4 | 96 | 0 | 0 | 0 | 107.9 | P136 T140 | P136-L138 PolarHBondContact O-N 3.39Å; P136-L138 VanDerWaalsContact O-N 3.15Å; L138-T140 PolarHBondContact O-N 3.06Å |
| 139 | H | 59.1 | Low | 63.3 | Low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -59 | 102.3 | 170.9 | -78 | -88.9 | 0 | 0 | 0 | 109.2 | P137 | P137-H139 PolarHBondContact O-N 3.24Å; P137-H139 VanDerWaalsContact O-N 3.1Å |
| 140 | T | 57.7 | Low | 62.8 | Low | 116 Ų | 116 | 152 Ų | 152 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | | | trans | -71.6 | 127.4 | 167.7 | 50.4 | 0 | 0 | 0 | 0 | 108.7 | L138 Q142 | L138-T140 PolarHBondContact O-N 3.06Å; T140-Q142 PolarHBondContact O-N 3.17Å; T140-Q142 VanDerWaalsContact O-N 3.09Å |
| 141 | P | 61.2 | Low | 62.6 | Low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -60.7 | 115.1 | 172.5 | -17.8 | 29.4 | 0 | 0 | 0 | 109.5 | R143 | P141-R143 PolarHBondContact O-N 3.14Å; P141-R143 VanDerWaalsContact O-N 3.14Å |
| 142 | Q | 56.2 | Low | 61.6 | Low | 190 Ų | 190 | 148.8 Ų | 148.8 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -62.5 | 114.2 | 169.8 | -81.5 | -170.4 | -17.3 | 0 | 0 | 108.6 | T140 | T140-Q142 PolarHBondContact O-N 3.17Å; T140-Q142 VanDerWaalsContact O-N 3.09Å |
| 143 | R | 54.6 | Low | 60.8 | Low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | | | trans | -68.7 | 134.2 | 169.4 | -95.6 | -172.4 | 171.8 | 157.9 | -0.7 | 109.8 | P141 R145 | P141-R143 PolarHBondContact O-N 3.14Å; P141-R143 VanDerWaalsContact O-N 3.14Å; R143-R145 PolarHBondContact O-N 2.9Å |
| 144 | P | 64.8 | Low | 59.6 | Low | 123 Ų | 123 | 150.2 Ų | 150.2 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -59.5 | 132.8 | 169.9 | -17.9 | 29.3 | 0 | 0 | 0 | 110.3 | H146 | P144-H146 PolarHBondContact O-N 3.38Š|
| 145 | R | 59.5 | Low | 58.5 | Low | 249 Ų | 249 | 151.4 Ų | 151.4 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | | | trans | -75.8 | 114.9 | 169.2 | -73.2 | -161.9 | 171 | -168 | -0.5 | 108.7 | R143 | R143-R145 PolarHBondContact O-N 2.9Š|
| 146 | H | 55.5 | Low | 57.2 | Low | 186 Ų | 186 | 151.2 Ų | 151.2 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 119.1 | 170.3 | -135.8 | -72.3 | 0 | 0 | 0 | 108.4 | P144 | P144-H146 PolarHBondContact O-N 3.38Š|
| 147 | E | 62.9 | Low | 56.2 | Low | 175 Ų | 175 | 154.5 Ų | 154.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 139.8 | 167 | -106.3 | -149.2 | 135.2 | 0 | 0 | 110 | | |
| 148 | P | 69.2 | Low | 55.3 | Low | 117 Ų | 117 | 158.3 Ų | 158.3 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 118.2 | 168.8 | -9.3 | 25.6 | 0 | 0 | 0 | 111 | | |
| 149 | D | 62.2 | Low | 54.6 | Low | 162 Ų | 162 | 154.4 Ų | 154.4 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64 | 138.2 | 169.5 | -171.8 | 23.6 | 0 | 0 | 0 | 111.2 | | |
| 150 | K | 49.3 | Very low | 54.1 | Low | 200 Ų | 200 | 152.3 Ų | 152.3 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | | | trans | -94.5 | 107.1 | -178.8 | -74.5 | -178.3 | 178.7 | 178.7 | 0 | 109.4 | | |
| 151 | G | 49.6 | Very low | 53.8 | Low | 72 Ų | 72 | 152.6 Ų | 152.6 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | -147 | 122.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 152 | D | 46.7 | Very low | 52.8 | Low | 159 Ų | 159 | 150.1 Ų | 150.1 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -43 | 143.7 | -172.8 | -96.1 | -54.8 | 0 | 0 | 0 | 118.4 | | |
| 153 | P | 49.8 | Very low | 53.1 | Low | 117 Ų | 117 | 147.1 Ų | 147.1 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | trans | -107.9 | 108.7 | 158.6 | 35 | -21.7 | 0 | 0 | 0 | 111.2 | | |
| 154 | S | 44.6 | Very low | 52.7 | Low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | | | trans | -158.2 | 94.7 | 163.3 | -90 | 0 | 0 | 0 | 0 | 112.5 | | |
| 155 | V | 52.6 | Low | 51.9 | Low | 151 Ų | 151 | 143.3 Ų | 143.3 | 92% | 0.915 | 83% | 0.827 | S | S | * | * | | | trans | -145.6 | 133.6 | 150.1 | -137.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 156 | T | 43.6 | Very low | 51.4 | Low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -73.5 | 134.8 | -160.6 | -46.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 157 | L | 51 | Low | 51 | Low | 174 Ų | 174 | 137.1 Ų | 137.1 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | trans | -83.4 | 113 | 165.2 | -68.6 | 174.2 | 0 | 0 | 0 | 110.1 | | |
| 158 | K | 50 | Low | 50.1 | Low | 196 Ų | 196 | 132 Ų | 132 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | | | trans | -107.4 | 122.1 | 163 | -81.7 | -172.3 | 173.6 | -178.9 | 0 | 108.8 | | |
| 159 | G | 46.1 | Very low | 49.4 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | | | trans | -77.6 | 172.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 160 | V | 49.9 | Very low | 48.7 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | | | trans | -149.2 | 142.9 | 161 | 169.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 161 | P | 50.1 | Low | 49.1 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 155.7 | -163.7 | -4.3 | 25.6 | 0 | 0 | 0 | 114.6 | | |
| 162 | G | 40.2 | Very low | 49.4 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 160.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 163 | P | 62.3 | Low | 49.9 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98 | 117.4 | 177 | 34.5 | -26.5 | 0 | 0 | 0 | 112 | | |
| 164 | H | 47.1 | Very low | 50 | Low | 205 Ų | 205 | 135.3 Ų | 135.3 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 118.6 | 150.1 | -101.1 | 8.9 | 0 | 0 | 0 | 107.1 | | |
| 165 | G | 48.7 | Very low | 50.3 | Low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | -166.6 | 126.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 166 | A | 48.5 | Very low | 50.1 | Low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 76.7 | 100.8 | 160 | 0 | 0 | 0 | 0 | 0 | 118.1 | G168 | A166-G168 PolarHBondContact O-N 3.23Š|
| 167 | H | 46.1 | Very low | 50.2 | Low | 207 Ų | 207 | 136.7 Ų | 136.7 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | | | trans | -35.6 | 125.7 | 153.1 | -57.4 | -86.1 | 0 | 0 | 0 | 113.6 | | |
| 168 | G | 45.2 | Very low | 50.2 | Low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -133 | 123.1 | 161 | 0 | 0 | 0 | 0 | 0 | 107.8 | A166 Q170 | A166-G168 PolarHBondContact O-N 3.23Å; G168-Q170 PolarHBondContact O-N 3.48Å |
| 169 | T | 52.8 | Low | 50.1 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -54.1 | 107.4 | -172.9 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | L171 | T169-L171 PolarHBondContact O-N 3.08Å; T169-L171 VanDerWaalsContact O-N 3.17Å |
| 170 | Q | 49.3 | Very low | 50.2 | Low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | -73.4 | 105.4 | 168.3 | -169.8 | 173.1 | 4.3 | 0 | 0 | 108.2 | G168 | G168-Q170 PolarHBondContact O-N 3.48Š|
| 171 | L | 56.2 | Low | 50.5 | Low | 144 Ų | 144 | 134.4 Ų | 134.4 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | trans | -52.4 | 139.7 | 173.7 | -69.9 | 166.3 | 0 | 0 | 0 | 109.9 | T169 L173 | T169-L171 PolarHBondContact O-N 3.08Å; T169-L171 VanDerWaalsContact O-N 3.17Å; L171-L173 PolarHBondContact O-N 3.06Å |
| 172 | P | 56.7 | Low | 50.7 | Low | 97 Ų | 97 | 138.3 Ų | 138.3 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | | | trans | -64.6 | 124.4 | 179.6 | 26.5 | -31.6 | 0 | 0 | 0 | 108.6 | K174 | P172-K174 HydrophobicContact CB-CG 4.29Å; P172-K174 PolarHBondContact O-N 2.68Å |
| 173 | L | 56.2 | Low | 51.7 | Low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -62.9 | 67.6 | 170.9 | -74.8 | 159 | 0 | 0 | 0 | 110 | L171 A175 | L171-L173 PolarHBondContact O-N 3.06Å; L173-A175 PolarHBondContact O-N 3.19Å |
| 174 | K | 52.6 | Low | 51.1 | Low | 188 Ų | 188 | 141.6 Ų | 141.6 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | -92 | 51 | 163.3 | -61 | -174.7 | -179.2 | -175.7 | 0 | 107.7 | P172 | P172-K174 HydrophobicContact CB-CG 4.29Å; P172-K174 PolarHBondContact O-N 2.68Å |
| 175 | A | 51.2 | Low | 51.3 | Low | 77 Ų | 77 | 138.8 Ų | 138.8 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | trans | -112.5 | 85.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107 | L173 H177 | L173-A175 PolarHBondContact O-N 3.19Å; A175-H177 PolarHBondContact O-N 3.05Å |
| 176 | L | 48.1 | Very low | 51.2 | Low | 156 Ų | 156 | 140.1 Ų | 140.1 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | | | trans | 26.3 | 75.5 | 141.9 | -66.8 | 161.8 | 0 | 0 | 0 | 114.8 | T178 | L176-T178 PolarHBondContact O-N 3.38Š|
| 177 | H | 46.8 | Very low | 51.4 | Low | 181 Ų | 181 | 140.6 Ų | 140.6 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | -77.6 | 85.8 | 153.9 | -147.6 | -111.1 | 0 | 0 | 0 | 106 | A175 S179 | A175-H177 PolarHBondContact O-N 3.05Å; H177-S179 PolarHBondContact O-N 3.05Å |
| 178 | T | 50.5 | Low | 51.7 | Low | 94 Ų | 94 | 136.1 Ų | 136.1 | 58% | 0.577 | 73% | 0.73 | S | S | * | * | | | trans | -65.5 | 86 | 162.5 | 44.6 | 0 | 0 | 0 | 0 | 106.5 | L176 W180 | L176-T178 PolarHBondContact O-N 3.38Å; T178-W180 PolarHBondContact O-N 2.79Å |
| 179 | S | 47.5 | Very low | 51.8 | Low | 69 Ų | 69 | 138.4 Ų | 138.4 | 48% | 0.483 | 74% | 0.735 | S | S | . | * | | | trans | -56.4 | 87.6 | 160.2 | 166.8 | 0 | 0 | 0 | 0 | 107.4 | H177 H181 | H177-S179 PolarHBondContact O-N 3.05Å; S179-H181 PolarHBondContact O-N 3.23Å; S179-H181 PolarHBondContact OG-CD2 2.91Å; S179-H181 VanDerWaalsContact OG-CD2 3.23Å |
| 180 | W | 49 | Very low | 51.6 | Low | 218 Ų | 218 | 138 Ų | 138 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | | | trans | -67.1 | 83.8 | 155.6 | -71.7 | 93.1 | 0 | 0 | 0 | 105.9 | T178 Y182 | T178-W180 PolarHBondContact O-N 2.79Å; W180-Y182 VanDerWaalsContact C-N 3.27Å; W180-Y182 PolarHBondContact O-N 2.9Å |
| 181 | H | 56.1 | Low | 51.2 | Low | 158 Ų | 158 | 133.2 Ų | 133.2 | 73% | 0.731 | 73% | 0.73 | S | S | * | * | | | trans | -55.3 | 103.1 | 157 | -87.8 | -65.2 | 0 | 0 | 0 | 105.8 | S179 P183 | S179-H181 PolarHBondContact O-N 3.23Å; S179-H181 PolarHBondContact OG-CD2 2.91Å; S179-H181 VanDerWaalsContact OG-CD2 3.23Å; H181-P183 WeakPolarHBondContact O-CD 3.27Å; H181-P183 VanDerWaalsContact O-N 3.14Å |
| 182 | Y | 53.6 | Low | 50.7 | Low | 205 Ų | 205 | 135.9 Ų | 135.9 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | -54.8 | 117.1 | 160.9 | -108.5 | -94.6 | 0 | 0 | 0 | 105.9 | W180 H184 | W180-Y182 VanDerWaalsContact C-N 3.27Å; W180-Y182 PolarHBondContact O-N 2.9Å; Y182-H184 PolarHBondContact O-N 3.26Å |
| 183 | P | 60.4 | Low | 50.4 | Low | 74 Ų | 74 | 140.7 Ų | 140.7 | 48% | 0.481 | 75% | 0.75 | S | S | . | * | | | trans | -62 | 131.6 | 162.9 | -7.7 | 24.6 | 0 | 0 | 0 | 104.9 | H181 H185 | H181-P183 WeakPolarHBondContact O-CD 3.27Å; H181-P183 VanDerWaalsContact O-N 3.14Å; P183-H185 VanDerWaalsContact CB-NE2 3.27Å; P183-H185 WeakPolarHBondContact CB-NE2 3.22Å; P183-H185 VanDerWaalsContact CG-NE2 3.28Å; P183-H185 WeakPolarHBondContact CG-NE2 3.28Å; P183-H185 PolarHBondContact O-N 3.01Å |
| 184 | H | 51 | Low | 49.9 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | | | trans | -61.4 | 76.8 | 165.6 | -78.4 | -100 | 0 | 0 | 0 | 107.9 | Y182 S186 | Y182-H184 PolarHBondContact O-N 3.26Å; H184-S186 PolarHBondContact O-N 2.68Å |
| 185 | H | 50.4 | Low | 49.7 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | | | trans | -78 | 90 | 169.2 | -70.5 | -56.7 | 0 | 0 | 0 | 105.9 | P183 S187 | P183-H185 VanDerWaalsContact CB-NE2 3.27Å; P183-H185 WeakPolarHBondContact CB-NE2 3.22Å; P183-H185 VanDerWaalsContact CG-NE2 3.28Å; P183-H185 WeakPolarHBondContact CG-NE2 3.28Å; P183-H185 PolarHBondContact O-N 3.01Å; H185-S187 PolarHBondContact O-N 2.8Å |
| 186 | S | 47.5 | Very low | 49.5 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | 22.4 | 107.2 | 130.8 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | H184 | H184-S186 PolarHBondContact O-N 2.68Š|
| 187 | S | 51.6 | Low | 49.4 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -34.6 | 136.9 | 163.5 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | H185 S189 | H185-S187 PolarHBondContact O-N 2.8Å; S187-S189 PolarHBondContact O-N 3.32Å |
| 188 | P | 52.8 | Low | 49.3 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -53.5 | 136.8 | -177.6 | 23.8 | -32.9 | 0 | 0 | 0 | 108.5 | T190 | P188-T190 PolarHBondContact O-N 2.87Š|
| 189 | S | 47.4 | Very low | 49.4 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -53.9 | 113.1 | 162.6 | 51.8 | 0 | 0 | 0 | 0 | 105.7 | S187 G191 | S187-S189 PolarHBondContact O-N 3.32Å; S189-G191 PolarHBondContact O-N 2.76Å |
| 190 | T | 49.6 | Very low | 49.4 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -55.5 | 108.1 | 180 | -37.4 | 0 | 0 | 0 | 0 | 106.4 | P188 F192 | P188-T190 PolarHBondContact O-N 2.87Å; T190-F192 PolarHBondContact O-N 2.83Å |
| 191 | G | 40.5 | Very low | 49.5 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -69.2 | 71.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S189 | S189-G191 PolarHBondContact O-N 2.76Š|
| 192 | F | 45.8 | Very low | 49.2 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -113.6 | 15.1 | 169.7 | -105.8 | -81.9 | 0 | 0 | 0 | 113.2 | T190 | T190-F192 PolarHBondContact O-N 2.83Š|
| 193 | E | 50 | Low | 49 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -111 | 57.2 | 174.8 | -147.8 | 173.2 | -162.1 | 0 | 0 | 110.3 | | |
| 194 | A | 45.4 | Very low | 48.6 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | | | trans | -132.2 | 47.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 195 | A | 47.9 | Very low | 48.7 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -159.3 | 45.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 196 | A | 48.5 | Very low | 48.7 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -149.3 | -8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 197 | A | 45.4 | Very low | 48.6 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -112.8 | 54 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 198 | S | 45 | Very low | 48.4 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | | | trans | -154.7 | 55.1 | 164.6 | -160.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 199 | K | 51.5 | Low | 48.2 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 85% | 0.848 | 85% | 0.852 | S | S | * | * | | | trans | -129.4 | 47.2 | 167.6 | -66.8 | -166.3 | -178.6 | -174.6 | 0 | 109.9 | | |
| 200 | F | 48.3 | Very low | 48 | Very low | 206 Ų | 206 | 160 Ų | 160 | 90% | 0.904 | 87% | 0.87 | S | S | * | * | | | trans | -148.2 | 50.1 | 171.2 | -99.6 | -80.1 | 0 | 0 | 0 | 110.3 | | |
| 201 | L | 50.5 | Low | 47.9 | Very low | 160 Ų | 160 | 161.6 Ų | 161.6 | 84% | 0.838 | 87% | 0.874 | S | S | * | * | | | trans | -137.8 | 31.4 | 169.5 | -99.9 | 166.9 | 0 | 0 | 0 | 111.4 | | |
| 202 | H | 50.2 | Low | 48.3 | Very low | 185 Ų | 185 | 166.3 Ų | 166.3 | 86% | 0.856 | 88% | 0.881 | S | S | * | * | S | Bend | trans | -116.6 | 134.8 | 161.9 | -81.3 | 86.9 | 0 | 0 | 0 | 107.1 | | |
| 203 | Q | 48.9 | Very low | 48.5 | Very low | 193 Ų | 193 | 164.3 Ų | 164.3 | 90% | 0.902 | 88% | 0.881 | S | S | * | * | S | Bend | trans | 91.1 | 45.5 | 166.2 | -148.3 | 177.5 | 60.2 | 0 | 0 | 118.2 | | |
| 204 | R | 52.3 | Low | 48.4 | Very low | 245 Ų | 245 | 162.4 Ų | 162.4 | 93% | 0.925 | 88% | 0.878 | S | S | * | * | | | trans | -146.2 | 52.6 | 153.6 | -66.1 | -168 | 106.4 | 166.2 | 4 | 113.4 | | |
| 205 | V | 53.7 | Low | 48.5 | Very low | 152 Ų | 152 | 166.4 Ų | 166.4 | 92% | 0.921 | 88% | 0.883 | S | S | * | * | | | trans | -144.6 | 70.6 | 161.4 | -163.3 | 0 | 0 | 0 | 0 | 109 | | |
| 206 | S | 50.1 | Low | 48.6 | Very low | 120 Ų | 120 | 171 Ų | 171 | 84% | 0.839 | 89% | 0.887 | S | S | * | * | | | trans | -155 | 51.4 | 164.7 | -155.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 207 | V | 45.9 | Very low | 48.6 | Very low | 141 Ų | 141 | 176.3 Ų | 176.3 | 86% | 0.855 | 89% | 0.894 | S | S | * | * | | | trans | -153.3 | 79.5 | 167 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 208 | K | 46.7 | Very low | 48.8 | Very low | 201 Ų | 201 | 181.5 Ų | 181.5 | 87% | 0.874 | 89% | 0.894 | S | S | * | * | | | trans | 167.4 | 91.6 | 152.3 | -108.3 | 174.3 | 166.8 | 173.7 | 0 | 108.1 | | |
| 209 | Q | 49.1 | Very low | 49.2 | Very low | 202 Ų | 202 | 188 Ų | 188 | 94% | 0.944 | 91% | 0.907 | S | S | * | * | | | | -162.2 | 131.4 | 110.5 | -99.9 | 179.6 | 6.7 | 0 | 0 | 108.2 | | |
| 210 | H | 42.8 | Very low | 48.9 | Very low | 256 Ų | 256 | 187.4 Ų | 187.4 | 100% | 1.185 | 91% | 0.913 | S | S | * | * | | | trans | -107.7 | 0 | -179.6 | -164.7 | -49.3 | 0 | 0 | 0 | 106.5 | | |