| 1 | D | 56.8 | Low | 58.4 | Low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | | 0 | 45.6 | 0 | -82.8 | -81 | 0 | 0 | 0 | 117 | Q4 | D1-Q4 WeakPolarHBondContact OD1-CG 3.46Š|
| 2 | I | 59.3 | Low | 58.3 | Low | 148 Ų | 148 | 136.8 Ų | 136.8 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | -94.2 | -34 | 167.5 | -49.2 | -177.3 | 0 | 0 | 0 | 110.2 | Q4 K5 | I2-Q4 VanDerWaalsContact C-N 3.35Å; I2-Q4 PolarHBondContact O-N 3.47Å; I2-K5 PolarHBondContact O-N 2.87Å |
| 3 | L | 65.3 | Low | 58.2 | Low | 160 Ų | 160 | 135.5 Ų | 135.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -66.3 | -28.9 | 178.6 | -77.8 | 153.8 | 0 | 0 | 0 | 114 | | |
| 4 | Q | 61.4 | Low | 57.7 | Low | 148 Ų | 148 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -82.9 | -15.9 | -178.9 | -55.4 | -157.5 | 6.1 | 0 | 0 | 113.7 | D1 I2 | D1-Q4 WeakPolarHBondContact OD1-CG 3.46Å; I2-Q4 VanDerWaalsContact C-N 3.35Å; I2-Q4 PolarHBondContact O-N 3.47Å |
| 5 | K | 57.4 | Low | 57.6 | Low | 164 Ų | 164 | 134.9 Ų | 134.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -89.4 | -1.1 | -175.4 | -155 | 168.5 | 65.9 | -178.7 | 0 | 113.9 | I2 | I2-K5 PolarHBondContact O-N 2.87Š|
| 6 | V | 61.4 | Low | 57.2 | Low | 120 Ų | 120 | 133.6 Ų | 133.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -104.3 | -14.9 | -179.6 | 178.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 7 | T | 59.4 | Low | 56.7 | Low | 109 Ų | 109 | 134.8 Ų | 134.8 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -97.3 | -10.3 | -175.8 | -49.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 8 | R | 55.9 | Low | 56.4 | Low | 220 Ų | 220 | 138.2 Ų | 138.2 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -13.4 | -169.9 | -145.1 | 176.7 | -161.7 | 158 | 5.2 | 115.2 | | |
| 9 | D | 53.4 | Low | 55.7 | Low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 1.2 | 179 | -61.6 | -42.8 | 0 | 0 | 0 | 113.3 | | |
| 10 | A | 60.3 | Low | 55.2 | Low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -107.4 | 55.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 11 | C | 52.1 | Low | 54.8 | Low | 117 Ų | 117 | 131.6 Ų | 131.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -153.7 | 81.5 | 162.8 | -151.5 | 0 | 0 | 0 | 0 | 111 | | |
| 12 | G | 57 | Low | 54.7 | Low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | trans | -68.2 | 139.2 | 158 | 0 | 0 | 0 | 0 | 0 | 109.3 | T14 | G12-T14 PolarHBondContact O-N 3.41Š|
| 13 | P | 56.4 | Low | 54.2 | Low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -65.7 | 130.5 | 177.2 | 25.8 | -31 | 0 | 0 | 0 | 110 | S15 | P13-S15 PolarHBondContact O-N 3.06Š|
| 14 | T | 52.3 | Low | 53.8 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -54.7 | 103.6 | 168.5 | 47 | 0 | 0 | 0 | 0 | 110.2 | G12 | G12-T14 PolarHBondContact O-N 3.41Š|
| 15 | S | 55.8 | Low | 53.1 | Low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -110.2 | 97.4 | 159.6 | 70.6 | 0 | 0 | 0 | 0 | 109.2 | P13 D17 | P13-S15 PolarHBondContact O-N 3.06Å; S15-D17 PolarHBondContact O-N 3.39Å |
| 16 | S | 50.6 | Low | 52.4 | Low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -54.6 | 121.2 | 160.4 | 164.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 17 | D | 49 | Very low | 51.8 | Low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -147.2 | 130.1 | 147.9 | -165.5 | 19.8 | 0 | 0 | 0 | 111.7 | S15 | S15-D17 PolarHBondContact O-N 3.39Š|
| 18 | K | 50.9 | Low | 51 | Low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -90.3 | 105 | 179.2 | -74.9 | -170.8 | 175.3 | -173.6 | 0 | 108 | | |
| 19 | G | 44.4 | Very low | 50.9 | Low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -120.5 | 91.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | V21 | G19-V21 PolarHBondContact O-N 3.12Š|
| 20 | G | 45.3 | Very low | 50.9 | Low | 78 Ų | 78 | 127.4 Ų | 127.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -73.3 | 121.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 21 | V | 46.7 | Very low | 50.2 | Low | 125 Ų | 125 | 127.7 Ų | 127.7 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | trans | -139.2 | 134.4 | 155.9 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | G19 E23 | G19-V21 PolarHBondContact O-N 3.12Å; V21-E23 HydrophobicContact CG1-CG 4.4Å |
| 22 | K | 53.6 | Low | 50.4 | Low | 201 Ų | 201 | 126 Ų | 126 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -94 | 118.9 | -170.4 | -28 | 174.8 | -176.8 | -175.7 | 0 | 105.2 | | |
| 23 | E | 49.7 | Very low | 50 | Low | 182 Ų | 182 | 129.2 Ų | 129.2 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -131.9 | 131.3 | 170.9 | -68.5 | -172.5 | 145.5 | 0 | 0 | 109.7 | V21 | V21-E23 HydrophobicContact CG1-CG 4.4Š|
| 24 | A | 56.5 | Low | 49.9 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | -71 | 162.9 | -157.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C26 | A24-C26 PolarHBondContact O-N 3.43Š|
| 25 | P | 46.2 | Very low | 49.8 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | -65.7 | 108.6 | 171.9 | -15.6 | 29.9 | 0 | 0 | 0 | 110.2 | H27 | P25-H27 VanDerWaalsContact C-N 3.27Å; P25-H27 PolarHBondContact O-N 2.77Å |
| 26 | C | 44.6 | Very low | 49.8 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | | | trans | -68.8 | 85.7 | 170 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | A24 | A24-C26 PolarHBondContact O-N 3.43Š|
| 27 | H | 48.5 | Very low | 49.7 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | -107.3 | 105.1 | 163.2 | -75.9 | -69.7 | 0 | 0 | 0 | 109.2 | P25 | P25-H27 VanDerWaalsContact C-N 3.27Å; P25-H27 PolarHBondContact O-N 2.77Å |
| 28 | A | 41.3 | Very low | 49.9 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -167.3 | 102.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 29 | A | 55.4 | Low | 50.2 | Low | 99 Ų | 99 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -79.5 | 117.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 30 | E | 51.6 | Low | 51 | Low | 200 Ų | 200 | 135.4 Ų | 135.4 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | | | trans | -138.4 | 80.1 | 153.1 | -79.5 | -171.1 | 102.3 | 0 | 0 | 108.2 | | |
| 31 | S | 47.2 | Very low | 51.9 | Low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | trans | -92.4 | 113.5 | 160 | 63.8 | 0 | 0 | 0 | 0 | 108 | | |
| 32 | A | 54.6 | Low | 52.7 | Low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | trans | -45.4 | 159.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R34 | A32-R34 PolarHBondContact O-N 3.03Š|
| 33 | P | 49.7 | Very low | 53.2 | Low | 131 Ų | 131 | 133.3 Ų | 133.3 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | -58 | 111.1 | -168.9 | -17.2 | 28.9 | 0 | 0 | 0 | 110 | S35 | P33-S35 PolarHBondContact O-N 3.39Š|
| 34 | R | 54.6 | Low | 53.5 | Low | 215 Ų | 215 | 133.7 Ų | 133.7 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -57.9 | 115.2 | 170 | -70.2 | -172.3 | 174.8 | 174.1 | -1.1 | 106.7 | A32 K36 | A32-R34 PolarHBondContact O-N 3.03Å; R34-K36 PolarHBondContact O-N 3.4Å |
| 35 | S | 49.9 | Very low | 53.8 | Low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | -40.8 | 112.8 | 168.7 | 171.9 | 0 | 0 | 0 | 0 | 108.6 | P33 M37 | P33-S35 PolarHBondContact O-N 3.39Å; S35-M37 PolarHBondContact O-N 3.3Å |
| 36 | K | 56.1 | Low | 54.5 | Low | 204 Ų | 204 | 132.5 Ų | 132.5 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | trans | -72.5 | 71.2 | 167.6 | -68.1 | 177.2 | -177.9 | 179.1 | 0 | 107 | R34 P38 | R34-K36 PolarHBondContact O-N 3.4Å; K36-P38 WeakPolarHBondContact O-CD 3.25Å |
| 37 | M | 47.8 | Very low | 55.4 | Low | 152 Ų | 152 | 131.3 Ų | 131.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | -70.2 | 118.6 | 157.4 | -86.7 | 152.4 | 81.3 | 0 | 0 | 105.5 | S35 L39 | S35-M37 PolarHBondContact O-N 3.3Å; M37-L39 PolarHBondContact O-N 3.39Å |
| 38 | P | 53.8 | Low | 56.2 | Low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | trans | -56.5 | 118.5 | 163.9 | 24.4 | -29.7 | 0 | 0 | 0 | 105.1 | K36 V40 | K36-P38 WeakPolarHBondContact O-CD 3.25Å; P38-V40 PolarHBondContact O-N 3.17Å |
| 39 | L | 56.2 | Low | 57.4 | Low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | | | trans | -60.8 | 91.3 | 169.9 | -179.9 | 68.3 | 0 | 0 | 0 | 105.3 | M37 E41 | M37-L39 PolarHBondContact O-N 3.39Å; L39-E41 VanDerWaalsContact C-N 3.29Å; L39-E41 PolarHBondContact O-N 3.28Å |
| 40 | V | 61.8 | Low | 57.9 | Low | 123 Ų | 123 | 127.4 Ų | 127.4 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | | | trans | -63.5 | 103.4 | 167.1 | 168.4 | 0 | 0 | 0 | 0 | 103.8 | P38 | P38-V40 PolarHBondContact O-N 3.17Š|
| 41 | E | 63.8 | Low | 58.3 | Low | 141 Ų | 141 | 124.9 Ų | 124.9 | 66% | 0.659 | 72% | 0.715 | S | S | * | * | | | trans | -44.6 | 135.8 | 167.7 | -91.5 | -93.5 | 109 | 0 | 0 | 108.2 | L39 | L39-E41 VanDerWaalsContact C-N 3.29Å; L39-E41 PolarHBondContact O-N 3.28Å |
| 42 | P | 63.4 | Low | 58.9 | Low | 94 Ų | 94 | 128 Ų | 128 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | | | trans | -49.3 | 138 | 170.9 | -20.5 | 30.4 | 0 | 0 | 0 | 108.7 | E44 | P42-E44 PolarHBondContact O-N 3.03Š|
| 43 | P | 64.7 | Low | 59.3 | Low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | | | trans | -49.8 | 117.2 | 175 | -23.9 | 31.6 | 0 | 0 | 0 | 108.6 | G45 | P43-G45 PolarHBondContact O-N 3.42Š|
| 44 | E | 55.6 | Low | 59.9 | Low | 189 Ų | 189 | 127.9 Ų | 127.9 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | | | trans | -48 | 115.1 | -172 | -156.5 | 161.6 | 176.2 | 0 | 0 | 108.3 | P42 | P42-E44 PolarHBondContact O-N 3.03Š|
| 45 | G | 64 | Low | 60.4 | Low | 50 Ų | 50 | 125.4 Ų | 125.4 | 52% | 0.515 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -56 | 161.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P43 | P43-G45 PolarHBondContact O-N 3.42Š|
| 46 | P | 61 | Low | 61 | Low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -49.2 | 136.5 | 176.6 | 19.4 | -30.4 | 0 | 0 | 0 | 109.8 | V48 | P46-V48 PolarHBondContact O-N 3.23Å; P46-V48 VanDerWaalsContact O-N 3.08Å |
| 47 | P | 63 | Low | 61.8 | Low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 120.4 | -169 | 19.4 | -31.1 | 0 | 0 | 0 | 109.9 | L49 | P47-L49 PolarHBondContact O-N 3.1Š|
| 48 | V | 63.9 | Low | 63.4 | Low | 146 Ų | 146 | 119.4 Ų | 119.4 | 89% | 0.885 | 67% | 0.669 | S | S | * | * | | | trans | -73.6 | 95.9 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | P46 | P46-V48 PolarHBondContact O-N 3.23Å; P46-V48 VanDerWaalsContact O-N 3.08Å |
| 49 | L | 66.5 | Low | 64.6 | Low | 92 Ų | 92 | 119.4 Ų | 119.4 | 48% | 0.482 | 66% | 0.663 | S | S | . | * | | | trans | -67.1 | 133.8 | 173.4 | -59.8 | -179.1 | 0 | 0 | 0 | 109.2 | P47 Q53 | P47-L49 PolarHBondContact O-N 3.1Å; L49-Q53 HydrophobicContact CB-CB 4.23Å |
| 50 | S | 67 | Low | 65.7 | Low | 55 Ų | 55 | 116.7 Ų | 116.7 | 39% | 0.385 | 65% | 0.649 | S | S | . | * | | | trans | -63.2 | 153 | 170.8 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | Q52 Q53 L54 | S50-Q52 PolarHBondContact O-N 3Å; S50-Q52 VanDerWaalsContact O-N 3.12Å; S50-Q53 WeakPolarHBondContact O-CA 3.44Å; S50-Q53 WeakPolarHBondContact O-CB 3.24Å; S50-Q53 PolarHBondContact O-N 2.93Å; S50-Q53 VanDerWaalsContact OG-CD 3.26Å; S50-Q53 VanDerWaalsContact OG-CG 3.25Å; S50-Q53 WeakPolarHBondContact OG-CG 3.4Å; S50-Q53 PolarHBondContact OG-N 3.38Å; S50-Q53 PolarHBondContact OG-OE1 2.89Å; S50-L54 PolarHBondContact O-N 3.41Å; S50-L54 VanDerWaalsContact O-N 3.1Å |
| 51 | L | 59.8 | Low | 66.5 | Low | 148 Ų | 148 | 114.9 Ų | 114.9 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.4 | -29.9 | 179 | -71.4 | 172.6 | 0 | 0 | 0 | 112.9 | L54 E55 | L51-L54 WeakPolarHBondContact O-CB 3.38Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-E55 PolarHBondContact O-N 3.27Å |
| 52 | Q | 59.2 | Low | 67.2 | Low | 157 Ų | 157 | 110.7 Ų | 110.7 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.2 | -31.4 | 174.8 | -64.9 | 175.7 | 7.3 | 0 | 0 | 112.5 | S50 L54 E55 | S50-Q52 PolarHBondContact O-N 3Å; S50-Q52 VanDerWaalsContact O-N 3.12Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-E55 PolarHBondContact O-N 3.43Å |
| 53 | Q | 63 | Low | 67.9 | Low | 102 Ų | 102 | 110.7 Ų | 110.7 | 48% | 0.477 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.2 | -22.8 | 171.8 | -70.8 | 166.1 | -53 | 0 | 0 | 112 | L49 S50 W57 | L49-Q53 HydrophobicContact CB-CB 4.23Å; S50-Q53 WeakPolarHBondContact O-CA 3.44Å; S50-Q53 WeakPolarHBondContact O-CB 3.24Å; S50-Q53 PolarHBondContact O-N 2.93Å; S50-Q53 VanDerWaalsContact OG-CD 3.26Å; S50-Q53 VanDerWaalsContact OG-CG 3.25Å; S50-Q53 WeakPolarHBondContact OG-CG 3.4Å; S50-Q53 PolarHBondContact OG-N 3.38Å; S50-Q53 PolarHBondContact OG-OE1 2.89Å; Q53-W57 PolarHBondContact O-NE1 2.99Å |
| 54 | L | 63.1 | Low | 68.6 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 56% | 0.56 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.8 | -34.5 | 170.8 | -172.6 | 62 | 0 | 0 | 0 | 111.7 | S50 L51 Q52 A56 W57 | S50-L54 PolarHBondContact O-N 3.41Å; S50-L54 VanDerWaalsContact O-N 3.1Å; L51-L54 WeakPolarHBondContact O-CB 3.38Å; L51-L54 PolarHBondContact O-N 2.99Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; L54-A56 PolarHBondContact O-N 3.14Å; L54-W57 PolarHBondContact O-N 3.18Å; L54-W57 VanDerWaalsContact O-N 3.17Å |
| 55 | E | 64.5 | Low | 69.8 | Low | 163 Ų | 163 | 105.9 Ų | 105.9 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.1 | -24.1 | 179.1 | -170.3 | 171.5 | -162.8 | 0 | 0 | 113.5 | L51 Q52 W57 | L51-E55 PolarHBondContact O-N 3.27Å; Q52-E55 PolarHBondContact O-N 3.43Å; E55-W57 PolarHBondContact O-N 3.24Å |
| 56 | A | 62.3 | Low | 70.3 | Confident | 87 Ų | 87 | 107.9 Ų | 107.9 | 72% | 0.719 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -8.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L54 D58 | L54-A56 PolarHBondContact O-N 3.14Å; A56-D58 PolarHBondContact O-N 3.26Å |
| 57 | W | 73.6 | Confident | 70.7 | Confident | 138 Ų | 138 | 105.6 Ų | 105.6 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | | | trans | -85.3 | 101.2 | 176.7 | -69.4 | 89.3 | 0 | 0 | 0 | 109.6 | Q53 L54 E55 L59 I62 | Q53-W57 PolarHBondContact O-NE1 2.99Å; L54-W57 PolarHBondContact O-N 3.18Å; L54-W57 VanDerWaalsContact O-N 3.17Å; E55-W57 PolarHBondContact O-N 3.24Å; W57-L59 PolarHBondContact O-N 2.9Å; W57-I62 HydrophobicContact CB-CD1 3.8Å; W57-I62 HydrophobicContact CD2-CD1 4.13Å; W57-I62 HydrophobicContact CD2-CG1 4.49Å; W57-I62 HydrophobicContact CE3-CD1 3.73Å; W57-I62 HydrophobicContact CE3-CG1 3.61Å; W57-I62 HydrophobicContact CG-CD1 4.2Å; W57-I62 HydrophobicContact CZ3-CG1 4.24Å |
| 58 | D | 80.9 | Confident | 70.8 | Confident | 97 Ų | 97 | 102.6 Ų | 102.6 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | | | trans | -62.8 | 121.4 | 163.2 | -173 | 6.4 | 0 | 0 | 0 | 108.3 | A56 D60 D61 I62 | A56-D58 PolarHBondContact O-N 3.26Å; D58-D60 PolarHBondContact O-N 2.97Å; D58-D60 PolarHBondContact OD1-N 3.08Å; D58-D61 HydrophobicContact CB-CB 4.13Å; D58-D61 PolarHBondContact O-N 2.96Å; D58-D61 VanDerWaalsContact O-N 3.14Å; D58-I62 PolarHBondContact O-N 2.87Å |
| 59 | L | 79.4 | Confident | 70.8 | Confident | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.7 | -32.2 | 179 | 179.3 | 60 | 0 | 0 | 0 | 110.2 | W57 I62 L63 | W57-L59 PolarHBondContact O-N 2.9Å; L59-I62 PolarHBondContact O-N 3.01Å; L59-L63 HydrophobicContact CD1-CD1 4.38Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CG-CD1 4.03Å; L59-L63 HydrophobicContact CG-CG 4.41Å; L59-L63 WeakPolarHBondContact O-CB 3.5Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.47Å |
| 60 | D | 78.4 | Confident | 70.5 | Confident | 95 Ų | 95 | 105.9 Ų | 105.9 | 51% | 0.508 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.7 | -37 | 178.8 | -68.1 | -35.5 | 0 | 0 | 0 | 111.9 | D58 L63 Q64 | D58-D60 PolarHBondContact O-N 2.97Å; D58-D60 PolarHBondContact OD1-N 3.08Å; D60-L63 PolarHBondContact O-N 3.04Å; D60-Q64 WeakPolarHBondContact O-CB 3.47Å; D60-Q64 VanDerWaalsContact O-CG 3.24Å; D60-Q64 WeakPolarHBondContact O-CG 3.32Å; D60-Q64 PolarHBondContact O-N 2.93Å |
| 61 | D | 78.9 | Confident | 70.2 | Confident | 85 Ų | 85 | 108.9 Ų | 108.9 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.5 | -39.2 | 177.2 | -174 | 74.2 | 0 | 0 | 0 | 112.2 | D58 S65 | D58-D61 HydrophobicContact CB-CB 4.13Å; D58-D61 PolarHBondContact O-N 2.96Å; D58-D61 VanDerWaalsContact O-N 3.14Å; D61-S65 WeakPolarHBondContact O-CB 3.33Å; D61-S65 PolarHBondContact O-N 2.75Å; D61-S65 PolarHBondContact O-OG 3.02Å |
| 62 | I | 79.4 | Confident | 70.2 | Confident | 53 Ų | 53 | 108.1 Ų | 108.1 | 27% | 0.272 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63 | -46.9 | 173.5 | -67.3 | 172.5 | 0 | 0 | 0 | 110.4 | W57 D58 L59 Q64 S65 L66 | W57-I62 HydrophobicContact CB-CD1 3.8Å; W57-I62 HydrophobicContact CD2-CD1 4.13Å; W57-I62 HydrophobicContact CD2-CG1 4.49Å; W57-I62 HydrophobicContact CE3-CD1 3.73Å; W57-I62 HydrophobicContact CE3-CG1 3.61Å; W57-I62 HydrophobicContact CG-CD1 4.2Å; W57-I62 HydrophobicContact CZ3-CG1 4.24Å; D58-I62 PolarHBondContact O-N 2.87Å; L59-I62 PolarHBondContact O-N 3.01Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 PolarHBondContact O-N 3.03Å; I62-S65 PolarHBondContact O-N 3.34Å; I62-L66 HydrophobicContact CG2-CD1 3.72Å; I62-L66 HydrophobicContact CG2-CG 4.31Å; I62-L66 WeakPolarHBondContact O-CB 3.17Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.22Å; I62-L66 PolarHBondContact O-N 3.18Å |
| 63 | L | 78.5 | Confident | 70.1 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.1 | -38.9 | -178 | -70.4 | 173.4 | 0 | 0 | 0 | 111.6 | L59 D60 A67 | L59-L63 HydrophobicContact CD1-CD1 4.38Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CG-CD1 4.03Å; L59-L63 HydrophobicContact CG-CG 4.41Å; L59-L63 WeakPolarHBondContact O-CB 3.5Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.47Å; D60-L63 PolarHBondContact O-N 3.04Å; L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 2.93Å |
| 64 | Q | 79.3 | Confident | 69.9 | Low | 140 Ų | 140 | 108.4 Ų | 108.4 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.6 | -43.1 | 175.2 | -73 | 174.4 | 29.5 | 0 | 0 | 112.2 | D60 I62 L66 A67 G68 | D60-Q64 WeakPolarHBondContact O-CB 3.47Å; D60-Q64 VanDerWaalsContact O-CG 3.24Å; D60-Q64 WeakPolarHBondContact O-CG 3.32Å; D60-Q64 PolarHBondContact O-N 2.93Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 PolarHBondContact O-N 3.03Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.45Å; Q64-A67 PolarHBondContact O-N 3.48Å; Q64-G68 PolarHBondContact O-N 2.94Å |
| 65 | S | 79.2 | Confident | 69.7 | Low | 73 Ų | 73 | 110.9 Ų | 110.9 | 51% | 0.51 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.5 | -37.9 | 177.9 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | D61 I62 | D61-S65 WeakPolarHBondContact O-CB 3.33Å; D61-S65 PolarHBondContact O-N 2.75Å; D61-S65 PolarHBondContact O-OG 3.02Å; I62-S65 PolarHBondContact O-N 3.34Å |
| 66 | L | 75.8 | Confident | 69.5 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 48% | 0.482 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.1 | -41.8 | 177 | -70.8 | 174.2 | 0 | 0 | 0 | 112.2 | I62 Q64 G68 Q69 | I62-L66 HydrophobicContact CG2-CD1 3.72Å; I62-L66 HydrophobicContact CG2-CG 4.31Å; I62-L66 WeakPolarHBondContact O-CB 3.17Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.22Å; I62-L66 PolarHBondContact O-N 3.18Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.45Å; L66-G68 PolarHBondContact O-N 3.14Å; L66-Q69 PolarHBondContact O-N 3.29Å; L66-Q69 VanDerWaalsContact O-N 3.14Å |
| 67 | A | 69.8 | Low | 69.4 | Low | 70 Ų | 70 | 112.9 Ų | 112.9 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.5 | -27.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L63 Q64 | L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 2.93Å; Q64-A67 PolarHBondContact O-N 3.48Å |
| 68 | G | 65.1 | Low | 68.7 | Low | 47 Ų | 47 | 112.1 Ų | 112.1 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | 1.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q64 L66 | Q64-G68 PolarHBondContact O-N 2.94Å; L66-G68 PolarHBondContact O-N 3.14Å |
| 69 | Q | 62.8 | Low | 67.8 | Low | 134 Ų | 134 | 110.8 Ų | 110.8 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -97 | -15.7 | -174.6 | -163.5 | -172.7 | -113.2 | 0 | 0 | 113.3 | L66 D71 | L66-Q69 PolarHBondContact O-N 3.29Å; L66-Q69 VanDerWaalsContact O-N 3.14Å; Q69-D71 VanDerWaalsContact C-N 3.29Å; Q69-D71 PolarHBondContact O-N 3.3Å |
| 70 | E | 60.8 | Low | 66.7 | Low | 174 Ų | 174 | 111.7 Ų | 111.7 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -4.5 | -168.6 | -74.2 | 173.1 | 81.9 | 0 | 0 | 115.1 | | |
| 71 | D | 61.2 | Low | 65.9 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | -6.4 | -165.7 | 60.8 | -14 | 0 | 0 | 0 | 115.7 | Q69 | Q69-D71 VanDerWaalsContact C-N 3.29Å; Q69-D71 PolarHBondContact O-N 3.3Å |
| 72 | N | 58.7 | Low | 64.8 | Low | 131 Ų | 131 | 116 Ų | 116 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -104.5 | -4.6 | -170.2 | -80.8 | -79.1 | 0 | 0 | 0 | 116.9 | | |
| 73 | Q | 58.3 | Low | 63.8 | Low | 169 Ų | 169 | 121.7 Ų | 121.7 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | | | trans | -140.8 | 94.5 | 172.8 | -69.1 | -159.1 | 55 | 0 | 0 | 111.2 | N75 R76 | Q73-N75 PolarHBondContact O-N 3.08Å; Q73-R76 PolarHBondContact O-N 3.32Å |
| 74 | G | 57.3 | Low | 63 | Low | 97 Ų | 97 | 120.4 Ų | 120.4 | 100% | 1 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 37 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 75 | N | 59.7 | Low | 62 | Low | 158 Ų | 158 | 117.4 Ų | 117.4 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.3 | 39.8 | 168.9 | -171.7 | 29.8 | 0 | 0 | 0 | 112.1 | Q73 | Q73-N75 PolarHBondContact O-N 3.08Š|
| 76 | R | 60.9 | Low | 61 | Low | 213 Ų | 213 | 119 Ų | 119 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -116.9 | 117.8 | 166.4 | -147 | 173.1 | -154.3 | -147.6 | 2.7 | 108.7 | Q73 | Q73-R76 PolarHBondContact O-N 3.32Š|
| 77 | A | 59.3 | Low | 60.2 | Low | 79 Ų | 79 | 120.8 Ų | 120.8 | 65% | 0.653 | 69% | 0.689 | S | S | * | * | | | trans | -48.2 | 132.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G79 | A77-G79 PolarHBondContact O-N 2.84Š|
| 78 | P | 60.1 | Low | 59.6 | Low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -63.9 | 137.2 | -175.1 | 26 | -32.1 | 0 | 0 | 0 | 109 | T80 | P78-T80 PolarHBondContact O-N 3.2Š|
| 79 | G | 61.6 | Low | 59.3 | Low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | trans | 35.2 | 74.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A77 V81 | A77-G79 PolarHBondContact O-N 2.84Å; G79-V81 PolarHBondContact O-N 2.81Å |
| 80 | T | 56.2 | Low | 58.9 | Low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | -64.5 | 98.8 | 157.5 | -48.5 | 0 | 0 | 0 | 0 | 105.3 | P78 W82 | P78-T80 PolarHBondContact O-N 3.2Å; T80-W82 PolarHBondContact O-N 2.97Å |
| 81 | V | 61.5 | Low | 58.7 | Low | 86 Ų | 86 | 132 Ų | 132 | 52% | 0.521 | 72% | 0.717 | S | S | . | * | | | trans | -54.8 | 102 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | G79 W83 A84 | G79-V81 PolarHBondContact O-N 2.81Å; V81-W83 HydrophobicContact CG1-CB 3.95Å; V81-W83 HydrophobicContact CG1-CG 4.39Å; V81-W83 PolarHBondContact O-N 3.33Å; V81-W83 VanDerWaalsContact O-N 3.08Å; V81-A84 HydrophobicContact CB-CB 4.1Å; V81-A84 HydrophobicContact CG1-CB 4.39Å; V81-A84 VanDerWaalsContact O-CB 3.29Å; V81-A84 WeakPolarHBondContact O-CB 3.29Å; V81-A84 PolarHBondContact O-N 3.47Å |
| 82 | W | 55.8 | Low | 58.5 | Low | 185 Ų | 185 | 129.7 Ų | 129.7 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -55 | -31.4 | -177.6 | 132.2 | -76.8 | 0 | 0 | 0 | 111 | T80 A84 A85 | T80-W82 PolarHBondContact O-N 2.97Å; W82-A84 VanDerWaalsContact C-N 3.28Å; W82-A84 PolarHBondContact O-N 3.37Å; W82-A85 PolarHBondContact O-N 3.12Å |
| 83 | W | 58.1 | Low | 58.4 | Low | 173 Ų | 173 | 130.6 Ų | 130.6 | 66% | 0.655 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -63.9 | -26.8 | 173.9 | -48.3 | 110.7 | 0 | 0 | 0 | 113.9 | V81 A85 D86 H87 | V81-W83 HydrophobicContact CG1-CB 3.95Å; V81-W83 HydrophobicContact CG1-CG 4.39Å; V81-W83 PolarHBondContact O-N 3.33Å; V81-W83 VanDerWaalsContact O-N 3.08Å; W83-A85 PolarHBondContact O-N 2.72Å; W83-D86 PolarHBondContact O-N 3.25Å; W83-H87 PolarHBondContact O-CD2 2.82Å |
| 84 | A | 61.9 | Low | 57.9 | Low | 67 Ų | 67 | 128.4 Ų | 128.4 | 55% | 0.554 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -72.5 | -18 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | V81 W82 | V81-A84 HydrophobicContact CB-CB 4.1Å; V81-A84 HydrophobicContact CG1-CB 4.39Å; V81-A84 VanDerWaalsContact O-CB 3.29Å; V81-A84 WeakPolarHBondContact O-CB 3.29Å; V81-A84 PolarHBondContact O-N 3.47Å; W82-A84 VanDerWaalsContact C-N 3.28Å; W82-A84 PolarHBondContact O-N 3.37Å |
| 85 | A | 58.8 | Low | 57.8 | Low | 78 Ų | 78 | 131.2 Ų | 131.2 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -81.8 | -25.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W82 W83 | W82-A85 PolarHBondContact O-N 3.12Å; W83-A85 PolarHBondContact O-N 2.72Å |
| 86 | D | 57.7 | Low | 57.3 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -87.5 | -22.7 | -169.8 | -165.5 | 49.2 | 0 | 0 | 0 | 114.1 | W83 R88 | W83-D86 PolarHBondContact O-N 3.25Å; D86-R88 PolarHBondContact O-N 3.12Å; D86-R88 VanDerWaalsContact O-N 3.12Å |
| 87 | H | 58.6 | Low | 56.8 | Low | 129 Ų | 129 | 125.6 Ų | 125.6 | 60% | 0.597 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -3.8 | -175.2 | -69.3 | -66.2 | 0 | 0 | 0 | 115.7 | W83 Q91 | W83-H87 PolarHBondContact O-CD2 2.82Å; H87-Q91 PolarHBondContact O-NE2 3.32Å |
| 88 | R | 58.3 | Low | 56.4 | Low | 212 Ų | 212 | 125.5 Ų | 125.5 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -15.3 | -174.3 | -76.1 | -174.9 | 151.6 | -103.3 | -3.6 | 115.1 | D86 | D86-R88 PolarHBondContact O-N 3.12Å; D86-R88 VanDerWaalsContact O-N 3.12Å |
| 89 | Q | 57.1 | Low | 55.6 | Low | 166 Ų | 166 | 123.8 Ų | 123.8 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -86.4 | -18.3 | -177.2 | -63.6 | -83.2 | 32.8 | 0 | 0 | 113.3 | | |
| 90 | V | 54.7 | Low | 55.1 | Low | 131 Ų | 131 | 128.5 Ų | 128.5 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -2.2 | -175.3 | -176.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 91 | Q | 58 | Low | 54.8 | Low | 153 Ų | 153 | 128.3 Ų | 128.3 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 2.6 | 179.3 | -73.1 | 168.6 | 66.9 | 0 | 0 | 113.8 | H87 | H87-Q91 PolarHBondContact O-NE2 3.32Š|
| 92 | G | 56.2 | Low | 54.4 | Low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -96.5 | 7.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 93 | L | 56.4 | Low | 54.4 | Low | 150 Ų | 150 | 126.5 Ų | 126.5 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | -121.9 | 50.9 | 178.2 | -139.8 | 88.7 | 0 | 0 | 0 | 112.4 | L95 | L93-L95 HydrophobicContact CD2-CD1 4.5Å; L93-L95 PolarHBondContact O-N 3.45Å; L93-L95 VanDerWaalsContact O-N 3.12Å |
| 94 | T | 47.4 | Very low | 54.4 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | | | trans | -79.2 | 87.1 | 165.6 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | N96 | T94-N96 PolarHBondContact O-N 3.22Š|
| 95 | L | 55.4 | Low | 54.2 | Low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | | | trans | -80.2 | 89.8 | 161.8 | -78.8 | 163.1 | 0 | 0 | 0 | 109.1 | L93 | L93-L95 HydrophobicContact CD2-CD1 4.5Å; L93-L95 PolarHBondContact O-N 3.45Å; L93-L95 VanDerWaalsContact O-N 3.12Å |
| 96 | N | 49.7 | Very low | 53.9 | Low | 127 Ų | 127 | 134.8 Ų | 134.8 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | trans | -167.9 | 97.5 | 155.5 | -162 | -72.7 | 0 | 0 | 0 | 109.1 | T94 | T94-N96 PolarHBondContact O-N 3.22Š|
| 97 | T | 49.5 | Very low | 53.6 | Low | 126 Ų | 126 | 137.4 Ų | 137.4 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | | 59.3 | 101.8 | 100.6 | -46.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 98 | G | 50.8 | Low | 53.6 | Low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 82 | 73.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 99 | A | 44.8 | Very low | 53.3 | Low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | -173.4 | 90.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V101 | A99-V101 PolarHBondContact O-N 3.07Å; A99-V101 VanDerWaalsContact O-N 3.07Å |
| 100 | H | 49.9 | Very low | 53.1 | Low | 167 Ų | 167 | 129 Ų | 129 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -67.8 | 98.2 | 161.7 | 169.6 | -93.9 | 0 | 0 | 0 | 108.2 | | |
| 101 | V | 51.1 | Low | 53 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -91.7 | 108.1 | 164.9 | -68.6 | 0 | 0 | 0 | 0 | 108.7 | A99 | A99-V101 PolarHBondContact O-N 3.07Å; A99-V101 VanDerWaalsContact O-N 3.07Å |
| 102 | N | 52.8 | Low | 52.8 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | | | trans | -66.4 | 122 | 178.1 | -176.1 | -49.3 | 0 | 0 | 0 | 110 | H104 | N102-H104 PolarHBondContact O-N 3.24Å; N102-H104 WeakPolarHBondContact OD1-CA 3.04Å; N102-H104 WeakPolarHBondContact OD1-CB 3.47Å; N102-H104 PolarHBondContact OD1-N 2.86Å |
| 103 | P | 56.3 | Low | 52.4 | Low | 132 Ų | 132 | 137.9 Ų | 137.9 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | trans | -87.2 | 28.4 | 179.5 | 36 | -35.2 | 0 | 0 | 0 | 112.9 | | |
| 104 | H | 57.2 | Low | 51.9 | Low | 137 Ų | 137 | 139.9 Ų | 139.9 | 63% | 0.634 | 77% | 0.77 | S | S | * | * | | | trans | -95.7 | 118.7 | 174.8 | -161.1 | 11.8 | 0 | 0 | 0 | 109.8 | N102 | N102-H104 PolarHBondContact O-N 3.24Å; N102-H104 WeakPolarHBondContact OD1-CA 3.04Å; N102-H104 WeakPolarHBondContact OD1-CB 3.47Å; N102-H104 PolarHBondContact OD1-N 2.86Å |
| 105 | K | 57.9 | Low | 51.6 | Low | 156 Ų | 156 | 144.7 Ų | 144.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 116.3 | 67.5 | 162.7 | -54.3 | -99.7 | -177.9 | -84.5 | 0 | 113.5 | | |
| 106 | Q | 52.9 | Low | 50.9 | Low | 198 Ų | 198 | 140.8 Ų | 140.8 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -93.1 | 88.4 | 146.5 | -68.1 | -160.7 | -10 | 0 | 0 | 108.3 | L108 | Q106-L108 PolarHBondContact O-N 3.43Š|
| 107 | H | 51.5 | Low | 50.9 | Low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | | | trans | -73.1 | 110.8 | 170 | 174 | -83.7 | 0 | 0 | 0 | 108.5 | P109 | H107-P109 WeakPolarHBondContact O-CD 3.42Š|
| 108 | L | 58.4 | Low | 50.8 | Low | 160 Ų | 160 | 144.8 Ų | 144.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -69.4 | 122.6 | 169.6 | -79.8 | 153.7 | 0 | 0 | 0 | 109.9 | Q106 | Q106-L108 PolarHBondContact O-N 3.43Š|
| 109 | P | 51.8 | Low | 50.4 | Low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | | | trans | -84.5 | 121.1 | 158.3 | 22.7 | -9.2 | 0 | 0 | 0 | 108.7 | H107 | H107-P109 WeakPolarHBondContact O-CD 3.42Š|
| 110 | G | 51.5 | Low | 50.2 | Low | 61 Ų | 61 | 145.1 Ų | 145.1 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | -66.8 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 111 | P | 54.5 | Low | 49.8 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.2 | -173.4 | -16 | 29.3 | 0 | 0 | 0 | 112.9 | R113 | P111-R113 PolarHBondContact O-N 3.45Š|
| 112 | L | 52.1 | Low | 49.6 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127 | 176.2 | -73.4 | 164 | 0 | 0 | 0 | 111.4 | | |
| 113 | R | 48.8 | Very low | 49.2 | Very low | 239 Ų | 239 | 150.5 Ų | 150.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 138.4 | 177 | -47.8 | -153.3 | 95.1 | -140.2 | 4.3 | 110.7 | P111 R115 | P111-R113 PolarHBondContact O-N 3.45Å; R113-R115 PolarHBondContact O-N 3.3Å |
| 114 | H | 45.5 | Very low | 48.3 | Very low | 192 Ų | 192 | 150 Ų | 150 | 89% | 0.889 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 121.1 | 174.2 | -63.3 | -78.3 | 0 | 0 | 0 | 111.5 | G116 | H114-G116 PolarHBondContact O-N 3.3Š|
| 115 | R | 40.2 | Very low | 47.4 | Very low | 225 Ų | 225 | 149 Ų | 149 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | | | trans | -81.3 | 93.5 | 169.5 | 179.8 | -177.6 | -104.3 | -145.8 | -3.3 | 108.7 | R113 L117 | R113-R115 PolarHBondContact O-N 3.3Å; R115-L117 HydrophobicContact CG-CD1 4.3Å; R115-L117 HydrophobicContact CG-CG 4.26Å |
| 116 | G | 40.8 | Very low | 46.6 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -84.6 | 105.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | H114 | H114-G116 PolarHBondContact O-N 3.3Š|
| 117 | L | 49.6 | Very low | 46.5 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -95.8 | 114.8 | 166.7 | -83.5 | 163.6 | 0 | 0 | 0 | 108.5 | R115 | R115-L117 HydrophobicContact CG-CD1 4.3Å; R115-L117 HydrophobicContact CG-CG 4.26Å |
| 118 | Q | 49 | Very low | 46 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -68.5 | 134.5 | 162.3 | -92 | -162.8 | 50.1 | 0 | 0 | 110.6 | | |
| 119 | A | 42.7 | Very low | 45.4 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -155.9 | 128.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 104.7 | | |
| 120 | G | 39.3 | Very low | 45.2 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | cis | 122.5 | 100.8 | 27.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 121 | H | 42.6 | Very low | 45 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | | | trans | 77.3 | 109.5 | 150.1 | -101.9 | -107.8 | 0 | 0 | 0 | 122.5 | | |
| 122 | R | 45.1 | Very low | 44.8 | Very low | 182 Ų | 182 | 150.2 Ų | 150.2 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | | | | 82.8 | 122 | 121.5 | -88.2 | -165.3 | 170.2 | -126.9 | -0.3 | 123.7 | | |
| 123 | Q | 44.9 | Very low | 44.7 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | | | trans | 61.4 | 121 | 131 | -95.8 | 175 | -13 | 0 | 0 | 120.9 | | |
| 124 | S | 37.9 | Very low | 44.4 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | | -177.7 | 162.1 | 112.2 | -173.6 | 0 | 0 | 0 | 0 | 111 | | |
| 125 | C | 38.8 | Very low | 44.3 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -80.2 | 152 | -157.7 | -54.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 126 | S | 40.8 | Very low | 45.3 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -14.6 | 156.8 | 143.2 | -64.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 127 | P | 50.7 | Low | 45.5 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 82% | 0.822 | S | S | * | * | | | | -152.4 | 164.9 | 52.2 | 38.2 | -15.1 | 0 | 0 | 0 | 120.4 | | |
| 128 | H | 40.5 | Very low | 45.3 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | | | trans | 44.1 | 120 | 149.6 | -70.2 | -59.6 | 0 | 0 | 0 | 121.3 | | |
| 129 | K | 46.9 | Very low | 45.1 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | | -156.8 | 123.9 | 118.8 | -110.9 | 177.2 | 171.4 | -162.6 | 0 | 111.2 | | |
| 130 | S | 47.4 | Very low | 45.2 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | trans | -56.9 | 142.1 | 165.8 | -59 | 0 | 0 | 0 | 0 | 111.2 | | |
| 131 | S | 45.8 | Very low | 45.6 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | | | | -161.8 | 128.5 | 122.9 | -138.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 132 | L | 51.1 | Low | 45.8 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | | | trans | -65 | 135.3 | 175.7 | -64.1 | 145.9 | 0 | 0 | 0 | 110.1 | | |
| 133 | L | 49.9 | Very low | 45.8 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 93% | 0.927 | 84% | 0.84 | S | S | * | * | | | | -172.7 | 129.6 | 126.6 | -126.2 | 70.3 | 0 | 0 | 0 | 110.3 | | |
| 134 | A | 42.7 | Very low | 45.9 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 73% | 0.727 | 85% | 0.848 | S | S | * | * | | | trans | -95.9 | 174 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 135 | P | 43.1 | Very low | 46.5 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | | | trans | -89.6 | -168.2 | -151.7 | 45.8 | -42 | 0 | 0 | 0 | 111.3 | | |
| 136 | P | 60.6 | Low | 47.2 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 100% | 1.299 | 85% | 0.854 | S | S | * | * | | | cis | -100.6 | 0 | 31.7 | 37.4 | -35.5 | 0 | 0 | 0 | 116.5 | | |