| 1 | M | 46 | Very low | 49.4 | Very low | 243 Ų | 243 | 127.7 Ų | 127.7 | 100% | 1.197 | 83% | 0.833 | S | S | * | * | | | | 0 | 119.6 | 0 | -64.2 | -169.1 | 88.3 | 0 | 0 | 107.5 | | |
| 2 | L | 51.3 | Low | 49.5 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 134.5 | 173.1 | -74.8 | 161.3 | 0 | 0 | 0 | 108.2 | | |
| 3 | P | 60.6 | Low | 49.5 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 123.4 | 164.6 | 30.3 | -28.2 | 0 | 0 | 0 | 110.1 | | |
| 4 | S | 45.1 | Very low | 49.5 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83 | 163.1 | 160.4 | -68.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 5 | S | 46.1 | Very low | 50.3 | Low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | trans | 97.5 | 130.3 | 167.7 | -41.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 6 | T | 57 | Low | 50.5 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | cis | -169.4 | 155.7 | 10.4 | 13.9 | 0 | 0 | 0 | 0 | 105.9 | G8 | T6-G8 PolarHBondContact O-N 2.78Š|
| 7 | P | 47.2 | Very low | 51.4 | Low | 127 Ų | 127 | 126.3 Ų | 126.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | -67.3 | 125.9 | 177.7 | 27.4 | -32 | 0 | 0 | 0 | 110.7 | S9 | P7-S9 PolarHBondContact O-N 2.89Š|
| 8 | G | 42.8 | Very low | 52.3 | Low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -59.7 | 122.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T6 G10 | T6-G8 PolarHBondContact O-N 2.78Å; G8-G10 PolarHBondContact O-N 2.91Å |
| 9 | S | 47.9 | Very low | 52.4 | Low | 124 Ų | 124 | 123.6 Ų | 123.6 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -61.9 | 110.1 | 166.8 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | P7 | P7-S9 PolarHBondContact O-N 2.89Š|
| 10 | G | 45 | Very low | 53 | Low | 56 Ų | 56 | 124 Ų | 124 | 58% | 0.577 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 143 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G8 | G8-G10 PolarHBondContact O-N 2.91Š|
| 11 | P | 54.9 | Low | 53.4 | Low | 133 Ų | 133 | 120.9 Ų | 120.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 138.7 | 174.6 | 26.2 | -31.6 | 0 | 0 | 0 | 110.8 | | |
| 12 | A | 50.3 | Low | 54 | Low | 90 Ų | 90 | 115.7 Ų | 115.7 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 139.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E14 | A12-E14 PolarHBondContact O-N 2.75Å; A12-E14 VanDerWaalsContact O-N 3.08Å |
| 13 | A | 48.9 | Very low | 54.2 | Low | 89 Ų | 89 | 116.3 Ų | 116.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | -53 | 114.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | T15 | A13-T15 VanDerWaalsContact C-N 3.33Å; A13-T15 PolarHBondContact O-N 2.76Å |
| 14 | E | 50.3 | Low | 54 | Low | 196 Ų | 196 | 121.6 Ų | 121.6 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | -61 | 98.9 | 167.2 | -75.4 | -169.7 | 120 | 0 | 0 | 108 | A12 C16 | A12-E14 PolarHBondContact O-N 2.75Å; A12-E14 VanDerWaalsContact O-N 3.08Å; E14-C16 PolarHBondContact O-N 2.63Å |
| 15 | T | 60.7 | Low | 54.3 | Low | 131 Ų | 131 | 121.7 Ų | 121.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 120.2 | 170.3 | -69.8 | 0 | 0 | 0 | 0 | 108.4 | A13 | A13-T15 VanDerWaalsContact C-N 3.33Å; A13-T15 PolarHBondContact O-N 2.76Å |
| 16 | C | 53.3 | Low | 54.6 | Low | 110 Ų | 110 | 122.7 Ų | 122.7 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.3 | 171.1 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | E14 | E14-C16 PolarHBondContact O-N 2.63Š|
| 17 | P | 66.9 | Low | 54.3 | Low | 126 Ų | 126 | 121.4 Ų | 121.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.1 | 169.5 | 27.6 | -31.6 | 0 | 0 | 0 | 110.2 | | |
| 18 | A | 66.6 | Low | 54.2 | Low | 89 Ų | 89 | 119.9 Ų | 119.9 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 146.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 19 | P | 55.5 | Low | 54.4 | Low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 150.5 | 177 | 28.6 | -33.9 | 0 | 0 | 0 | 111.2 | G21 | P19-G21 PolarHBondContact O-N 2.9Š|
| 20 | P | 63.7 | Low | 54.3 | Low | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 132.3 | 176.6 | 26 | -32 | 0 | 0 | 0 | 110.2 | | |
| 21 | G | 62.1 | Low | 54.6 | Low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 161.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P19 E23 | P19-G21 PolarHBondContact O-N 2.9Å; G21-E23 PolarHBondContact O-N 3.02Å |
| 22 | P | 58.5 | Low | 54.3 | Low | 134 Ų | 134 | 133.3 Ų | 133.3 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.3 | -178.6 | 26.3 | -32.4 | 0 | 0 | 0 | 111 | | |
| 23 | E | 55.5 | Low | 54.2 | Low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 140 | 171.2 | -92.4 | -133.7 | 93.5 | 0 | 0 | 111.6 | G21 S25 | G21-E23 PolarHBondContact O-N 3.02Å; E23-S25 PolarHBondContact O-N 3.01Å |
| 24 | R | 56.2 | Low | 54.2 | Low | 239 Ų | 239 | 134.2 Ų | 134.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -82.4 | 110 | 175.2 | -71.5 | -175.8 | 179.4 | -175.8 | 0.5 | 109.6 | | |
| 25 | S | 51.8 | Low | 54.1 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135 | 170.1 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | E23 A27 | E23-S25 PolarHBondContact O-N 3.01Å; S25-A27 PolarHBondContact O-N 2.9Å |
| 26 | P | 51.7 | Low | 53.7 | Low | 132 Ų | 132 | 130.1 Ų | 130.1 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 131.3 | -179.1 | 27.2 | -31.6 | 0 | 0 | 0 | 111.2 | | |
| 27 | A | 50.2 | Low | 53.8 | Low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 156 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S25 | S25-A27 PolarHBondContact O-N 2.9Š|
| 28 | A | 45.1 | Very low | 53 | Low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | 83.6 | 138.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 29 | R | 47.2 | Very low | 52.6 | Low | 229 Ų | 229 | 132.3 Ų | 132.3 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | cis | -171.8 | 139.9 | 24.5 | -155 | 178.6 | -139 | -118 | 1.8 | 107.9 | | |
| 30 | A | 45.1 | Very low | 52 | Low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | | | trans | -157.3 | 145.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 31 | R | 52.5 | Low | 51.6 | Low | 232 Ų | 232 | 133.1 Ų | 133.1 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | | | trans | -76.5 | 153.7 | -153.2 | -69.6 | 172.4 | 169.8 | -133.8 | 1.6 | 114.3 | | |
| 32 | A | 49.1 | Very low | 51.2 | Low | 109 Ų | 109 | 134.3 Ų | 134.3 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | | | trans | -60.7 | 134.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 33 | A | 47.7 | Very low | 51.2 | Low | 101 Ų | 101 | 133.9 Ų | 133.9 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | | | trans | -124.5 | 126.2 | 161 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 34 | A | 48.6 | Very low | 51 | Low | 97 Ų | 97 | 128.2 Ų | 128.2 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | trans | -73.2 | 144.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 35 | S | 48.7 | Very low | 51.2 | Low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | 13.5 | 130.3 | 152.6 | -51.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 36 | S | 52.7 | Low | 51.3 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | | -138.9 | 125.5 | 126.6 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 37 | L | 54 | Low | 51.4 | Low | 183 Ų | 183 | 125.5 Ų | 125.5 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | | | trans | -76.8 | 129.6 | 167.9 | -79.4 | 156.5 | 0 | 0 | 0 | 108.2 | | |
| 38 | G | 51.1 | Low | 51.8 | Low | 62 Ų | 62 | 131.1 Ų | 131.1 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | | | trans | -145.6 | 133.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 39 | P | 57.2 | Low | 52.1 | Low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -83.8 | 126.6 | -176.5 | 32.8 | -29.3 | 0 | 0 | 0 | 109.4 | | |
| 40 | V | 44.4 | Very low | 52.8 | Low | 137 Ų | 137 | 126.6 Ų | 126.6 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | -116.1 | 93 | 159.6 | -179.1 | 0 | 0 | 0 | 0 | 107 | A42 | V40-A42 VanDerWaalsContact C-N 3.29Å; V40-A42 PolarHBondContact O-N 2.62Å |
| 41 | S | 55.3 | Low | 53.7 | Low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -65.1 | 92.4 | 163.1 | -80.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 42 | A | 53.1 | Low | 54.1 | Low | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -89.3 | 98.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | V40 G44 | V40-A42 VanDerWaalsContact C-N 3.29Å; V40-A42 PolarHBondContact O-N 2.62Å; A42-G44 PolarHBondContact O-N 3.41Å |
| 43 | S | 58.9 | Low | 54.8 | Low | 124 Ų | 124 | 124.2 Ų | 124.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -66.9 | 76.9 | 165.7 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | R45 | S43-R45 PolarHBondContact O-N 2.79Š|
| 44 | G | 50.3 | Low | 55.6 | Low | 65 Ų | 65 | 123.4 Ų | 123.4 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | -80.8 | 103 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | A42 A46 | A42-G44 PolarHBondContact O-N 3.41Å; G44-A46 PolarHBondContact O-N 2.82Å |
| 45 | R | 60 | Low | 56.3 | Low | 224 Ų | 224 | 127.3 Ų | 127.3 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -55.1 | 101.4 | 172.4 | -163.2 | -179.2 | -153.4 | -129.1 | 9.1 | 108.4 | S43 | S43-R45 PolarHBondContact O-N 2.79Š|
| 46 | A | 55.6 | Low | 57.4 | Low | 75 Ų | 75 | 127 Ų | 127 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G44 R48 | G44-A46 PolarHBondContact O-N 2.82Å; A46-R48 PolarHBondContact O-N 3.5Å |
| 47 | P | 53.3 | Low | 58.1 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.8 | 164.6 | -11.5 | 25.2 | 0 | 0 | 0 | 105.6 | G49 | P47-G49 PolarHBondContact O-N 3.36Š|
| 48 | R | 59 | Low | 58.8 | Low | 217 Ų | 217 | 122.7 Ų | 122.7 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 123.5 | 172.6 | -76.3 | -172.2 | 172 | 126.1 | -3.1 | 106.6 | A46 L50 | A46-R48 PolarHBondContact O-N 3.5Å; R48-L50 PolarHBondContact O-N 2.69Å; R48-L50 VanDerWaalsContact O-N 3.1Å |
| 49 | G | 51.6 | Low | 59.9 | Low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 123.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | P47 D51 | P47-G49 PolarHBondContact O-N 3.36Å; G49-D51 PolarHBondContact O-N 3.3Å |
| 50 | L | 61.1 | Low | 60.7 | Low | 158 Ų | 158 | 124.1 Ų | 124.1 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | -61.7 | 101.7 | 160.5 | -78.8 | 162.9 | 0 | 0 | 0 | 104.4 | R48 M52 | R48-L50 PolarHBondContact O-N 2.69Å; R48-L50 VanDerWaalsContact O-N 3.1Å; L50-M52 PolarHBondContact O-N 3.04Å |
| 51 | D | 64.7 | Low | 62 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | | | trans | -61 | 94.3 | 170.7 | 178.1 | 21 | 0 | 0 | 0 | 107.3 | G49 S53 | G49-D51 PolarHBondContact O-N 3.3Å; D51-S53 PolarHBondContact O-N 2.87Å; D51-S53 VanDerWaalsContact O-N 3.15Å; D51-S53 WeakPolarHBondContact OD1-CB 3.23Å; D51-S53 PolarHBondContact OD1-N 2.68Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å |
| 52 | M | 60.2 | Low | 63.1 | Low | 169 Ų | 169 | 133.2 Ų | 133.2 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -2 | 176.2 | -69.1 | -72.7 | -71.8 | 0 | 0 | 111.6 | L50 | L50-M52 PolarHBondContact O-N 3.04Š|
| 53 | S | 64.6 | Low | 63.9 | Low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -3.3 | -175.8 | -151.8 | 0 | 0 | 0 | 0 | 114.1 | D51 Q55 | D51-S53 PolarHBondContact O-N 2.87Å; D51-S53 VanDerWaalsContact O-N 3.15Å; D51-S53 WeakPolarHBondContact OD1-CB 3.23Å; D51-S53 PolarHBondContact OD1-N 2.68Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å; S53-Q55 VanDerWaalsContact C-N 3.34Å; S53-Q55 PolarHBondContact O-N 3.24Å |
| 54 | A | 63.2 | Low | 64.7 | Low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | -94 | 56.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 55 | Q | 64.6 | Low | 65.7 | Low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | | | trans | -91.8 | 98.9 | 165.8 | -148.8 | 177.7 | 32.2 | 0 | 0 | 107.7 | S53 | S53-Q55 VanDerWaalsContact C-N 3.34Å; S53-Q55 PolarHBondContact O-N 3.24Å |
| 56 | E | 70 | Confident | 66.6 | Low | 109 Ų | 109 | 137.7 Ų | 137.7 | 51% | 0.509 | 74% | 0.741 | S | S | . | * | | | trans | -60.1 | 126.1 | 169.2 | -163.5 | -93.4 | 163.1 | 0 | 0 | 107.7 | Q59 | E56-Q59 WeakPolarHBondContact OE1-CG 3.43Å; E56-Q59 PolarHBondContact OE1-NE2 2.82Å |
| 57 | P | 68.6 | Low | 67.6 | Low | 101 Ų | 101 | 138.4 Ų | 138.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | trans | -61.6 | 122.5 | 177.3 | 22.7 | -29.8 | 0 | 0 | 0 | 107.2 | Q59 | P57-Q59 PolarHBondContact O-N 2.97Š|
| 58 | P | 68.9 | Low | 68.4 | Low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | | | trans | -54.6 | 113.6 | -171.4 | 18.6 | -30.2 | 0 | 0 | 0 | 108.7 | G60 | P58-G60 PolarHBondContact O-N 2.96Š|
| 59 | Q | 73.4 | Confident | 69 | Low | 153 Ų | 153 | 132.5 Ų | 132.5 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | | | trans | -54.3 | 111.2 | -178.2 | -59.9 | -165.6 | -2.8 | 0 | 0 | 107.7 | E56 P57 R61 | E56-Q59 WeakPolarHBondContact OE1-CG 3.43Å; E56-Q59 PolarHBondContact OE1-NE2 2.82Å; P57-Q59 PolarHBondContact O-N 2.97Å; Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 3.01Å |
| 60 | G | 73.2 | Confident | 69.6 | Low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | trans | -58.3 | 101.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P58 R62 | P58-G60 PolarHBondContact O-N 2.96Å; G60-R62 VanDerWaalsContact C-N 3.29Å; G60-R62 PolarHBondContact O-N 2.99Å |
| 61 | R | 73.4 | Confident | 69.9 | Low | 211 Ų | 211 | 137.9 Ų | 137.9 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | -59.1 | 96.6 | 170.9 | 46.3 | 174.5 | 176.9 | -86.4 | -1.4 | 107.5 | Q59 F63 | Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 3.01Å; R61-F63 PolarHBondContact O-N 3.27Å |
| 62 | R | 76.5 | Confident | 69.6 | Low | 239 Ų | 239 | 135 Ų | 135 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | | | trans | -78 | 109.5 | 171.7 | -67.3 | -173.6 | -177.6 | -170.3 | 0.8 | 106.3 | G60 | G60-R62 VanDerWaalsContact C-N 3.29Å; G60-R62 PolarHBondContact O-N 2.99Å |
| 63 | F | 69.9 | Low | 69.5 | Low | 154 Ų | 154 | 133.3 Ų | 133.3 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | | | trans | -63.4 | 133.7 | 164.9 | -62.9 | -81.9 | 0 | 0 | 0 | 107.6 | R61 I65 | R61-F63 PolarHBondContact O-N 3.27Å; F63-I65 PolarHBondContact O-N 3.49Å |
| 64 | P | 76.1 | Confident | 69 | Low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | trans | -60.3 | 111.8 | 171.3 | -17.8 | 30.1 | 0 | 0 | 0 | 108.1 | E66 | P64-E66 VanDerWaalsContact C-N 3.35Å; P64-E66 PolarHBondContact O-N 3.31Å |
| 65 | I | 71.7 | Confident | 68.6 | Low | 155 Ų | 155 | 134 Ų | 134 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | | | trans | -88.4 | 86.6 | 172.6 | -56.9 | 172.3 | 0 | 0 | 0 | 104.9 | F63 A67 | F63-I65 PolarHBondContact O-N 3.49Å; I65-A67 PolarHBondContact O-N 2.91Å |
| 66 | E | 80.2 | Confident | 68 | Low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | | | trans | -60.7 | 104.5 | 164.2 | -67.6 | -62.8 | 132.4 | 0 | 0 | 106.5 | P64 G68 | P64-E66 VanDerWaalsContact C-N 3.35Å; P64-E66 PolarHBondContact O-N 3.31Å; E66-G68 PolarHBondContact O-N 3.21Å |
| 67 | A | 74.9 | Confident | 67.4 | Low | 90 Ų | 90 | 130.2 Ų | 130.2 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | trans | -65.7 | 101.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | I65 D69 | I65-A67 PolarHBondContact O-N 2.91Å; A67-D69 PolarHBondContact O-N 2.98Å |
| 68 | G | 69.9 | Low | 66.3 | Low | 63 Ų | 63 | 133.4 Ų | 133.4 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | trans | -59.3 | 107.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | E66 S70 | E66-G68 PolarHBondContact O-N 3.21Å; G68-S70 PolarHBondContact O-N 2.69Å; G68-S70 PolarHBondContact O-OG 2.84Å |
| 69 | D | 71.5 | Confident | 65.3 | Low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -66 | 86.1 | 171.2 | -173.7 | 9.2 | 0 | 0 | 0 | 108.9 | A67 | A67-D69 PolarHBondContact O-N 2.98Š|
| 70 | S | 64.4 | Low | 64.5 | Low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | -90.1 | 108.1 | 177.6 | -50.5 | 0 | 0 | 0 | 0 | 107.2 | G68 G72 | G68-S70 PolarHBondContact O-N 2.69Å; G68-S70 PolarHBondContact O-OG 2.84Å; S70-G72 PolarHBondContact O-N 3.05Å |
| 71 | R | 67.5 | Low | 63.2 | Low | 239 Ų | 239 | 139.2 Ų | 139.2 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -58.7 | 113.4 | 168.9 | -86.5 | -176 | 170 | -175.9 | -2.9 | 109 | | |
| 72 | G | 59.7 | Low | 61.8 | Low | 61 Ų | 61 | 134.2 Ų | 134.2 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S70 A74 | S70-G72 PolarHBondContact O-N 3.05Å; G72-A74 PolarHBondContact O-N 2.8Å |
| 73 | P | 56.8 | Low | 60.4 | Low | 132 Ų | 132 | 128.3 Ų | 128.3 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 127 | 175.2 | 24.2 | -30.4 | 0 | 0 | 0 | 109.5 | | |
| 74 | A | 54.3 | Low | 59.5 | Low | 102 Ų | 102 | 129.3 Ų | 129.3 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G72 | G72-A74 PolarHBondContact O-N 2.8Š|
| 75 | A | 54.3 | Low | 58.1 | Low | 102 Ų | 102 | 128.1 Ų | 128.1 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 140.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 76 | S | 52.1 | Low | 57.1 | Low | 80 Ų | 80 | 126.4 Ų | 126.4 | 56% | 0.559 | 77% | 0.773 | S | S | * | * | | | trans | -124.7 | 122.1 | 150.1 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | E78 | S76-E78 PolarHBondContact O-N 2.79Å; S76-E78 WeakPolarHBondContact OG-CG 3.34Å; S76-E78 PolarHBondContact OG-OE2 2.86Å |
| 77 | P | 58.1 | Low | 55.7 | Low | 128 Ų | 128 | 122.1 Ų | 122.1 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -90.1 | 95.5 | 170.8 | 32.5 | -24 | 0 | 0 | 0 | 108.4 | | |
| 78 | E | 44.6 | Very low | 54.5 | Low | 167 Ų | 167 | 123.6 Ų | 123.6 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | -124 | 115.2 | 179.4 | -77.2 | 179 | 109.9 | 0 | 0 | 112.4 | S76 | S76-E78 PolarHBondContact O-N 2.79Å; S76-E78 WeakPolarHBondContact OG-CG 3.34Å; S76-E78 PolarHBondContact OG-OE2 2.86Å |
| 79 | S | 49.2 | Very low | 53.5 | Low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | 65.5 | 98.9 | 154.5 | -161.5 | 0 | 0 | 0 | 0 | 118.6 | D81 | S79-D81 PolarHBondContact O-N 2.78Š|
| 80 | Q | 55.2 | Low | 52.8 | Low | 203 Ų | 203 | 127.5 Ų | 127.5 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | | | trans | -69.5 | 108.9 | 147.9 | -68 | 178.9 | -85.3 | 0 | 0 | 108.5 | | |
| 81 | D | 47.5 | Very low | 52.5 | Low | 146 Ų | 146 | 127.5 Ų | 127.5 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | -158.6 | 146.7 | 152.7 | -165.1 | -155 | 0 | 0 | 0 | 111.1 | S79 | S79-D81 PolarHBondContact O-N 2.78Š|
| 82 | S | 42.6 | Very low | 51.8 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 89.1 | 137.7 | 172.4 | -120.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 83 | P | 48.5 | Very low | 51.8 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | trans | -77.7 | 141 | -145.5 | 32.2 | -34.8 | 0 | 0 | 0 | 112.3 | A85 | P83-A85 PolarHBondContact O-N 2.81Š|
| 84 | E | 50.1 | Low | 52.1 | Low | 174 Ų | 174 | 125.3 Ų | 125.3 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | | | trans | -12.6 | 88.7 | 171.5 | -156.2 | -166.1 | 145.5 | 0 | 0 | 113.2 | V86 | E84-V86 VanDerWaalsContact C-N 3.35Å; E84-V86 PolarHBondContact O-N 3Å |
| 85 | A | 46.4 | Very low | 52.6 | Low | 89 Ų | 89 | 125.9 Ų | 125.9 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | | | trans | -54.5 | 111.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 104.4 | P83 A87 | P83-A85 PolarHBondContact O-N 2.81Å; A85-A87 PolarHBondContact O-N 2.89Å |
| 86 | V | 51.6 | Low | 53.1 | Low | 118 Ų | 118 | 125.9 Ų | 125.9 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | | | trans | -55.3 | 89.9 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 105.8 | E84 T88 | E84-V86 VanDerWaalsContact C-N 3.35Å; E84-V86 PolarHBondContact O-N 3Å; V86-T88 PolarHBondContact O-N 3.33Å |
| 87 | A | 49.7 | Very low | 53.8 | Low | 82 Ų | 82 | 133.7 Ų | 133.7 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | | | trans | -72.4 | 74.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 103.8 | A85 E89 | A85-A87 PolarHBondContact O-N 2.89Å; A87-E89 HydrophobicContact CB-CB 4.44Å; A87-E89 PolarHBondContact O-N 3.4Å |
| 88 | T | 51 | Low | 54.3 | Low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | | | trans | -68.6 | 65.2 | 142 | -42.9 | 0 | 0 | 0 | 0 | 105 | V86 H90 | V86-T88 PolarHBondContact O-N 3.33Å; T88-H90 PolarHBondContact O-N 3.4Å |
| 89 | E | 48.8 | Very low | 55 | Low | 145 Ų | 145 | 135 Ų | 135 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | trans | -61.1 | 92.3 | 163 | -175 | -164.4 | 145 | 0 | 0 | 102.3 | A87 N91 | A87-E89 HydrophobicContact CB-CB 4.44Å; A87-E89 PolarHBondContact O-N 3.4Å; E89-N91 VanDerWaalsContact C-N 3.28Å; E89-N91 PolarHBondContact O-N 3.49Å |
| 90 | H | 56.8 | Low | 55.8 | Low | 156 Ų | 156 | 136.5 Ų | 136.5 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | trans | -47.7 | 106.6 | 168.1 | 176.5 | -70.5 | 0 | 0 | 0 | 104.6 | T88 | T88-H90 PolarHBondContact O-N 3.4Š|
| 91 | N | 57.3 | Low | 56.2 | Low | 103 Ų | 103 | 128.7 Ų | 128.7 | 55% | 0.551 | 70% | 0.703 | S | S | * | * | | | trans | -37.1 | 120.2 | 179.3 | -178.3 | -67.8 | 0 | 0 | 0 | 106.3 | E89 V93 | E89-N91 VanDerWaalsContact C-N 3.28Å; E89-N91 PolarHBondContact O-N 3.49Å; N91-V93 HydrophobicContact CB-CG2 4.13Å; N91-V93 PolarHBondContact O-N 3.33Å; N91-V93 WeakPolarHBondContact OD1-CG2 3.37Å; N91-V93 PolarHBondContact OD1-N 2.93Å |
| 92 | P | 53.7 | Low | 57.1 | Low | 85 Ų | 85 | 127.5 Ų | 127.5 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | | | trans | -71.1 | 78.1 | 177.4 | 27.8 | -32.2 | 0 | 0 | 0 | 105.6 | R94 | P92-R94 PolarHBondContact O-N 2.94Š|
| 93 | V | 59.3 | Low | 57.8 | Low | 86 Ų | 86 | 129.5 Ų | 129.5 | 52% | 0.521 | 70% | 0.702 | S | S | . | * | | | trans | -63.7 | 87.7 | 173.2 | 179 | 0 | 0 | 0 | 0 | 103.2 | N91 P95 | N91-V93 HydrophobicContact CB-CG2 4.13Å; N91-V93 PolarHBondContact O-N 3.33Å; N91-V93 WeakPolarHBondContact OD1-CG2 3.37Å; N91-V93 PolarHBondContact OD1-N 2.93Å; V93-P95 VanDerWaalsContact O-CD 3.23Å; V93-P95 WeakPolarHBondContact O-CD 3.45Å |
| 94 | R | 63.5 | Low | 58.3 | Low | 215 Ų | 215 | 129.1 Ų | 129.1 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | | | trans | -53.4 | 114.8 | 169.9 | -67.7 | -174.3 | 178.8 | -162.8 | 0.1 | 103.9 | P92 L96 | P92-R94 PolarHBondContact O-N 2.94Å; R94-L96 PolarHBondContact O-N 2.92Å |
| 95 | P | 64.8 | Low | 58.6 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | | | trans | -57.8 | 115 | -171.4 | 17.7 | -28.8 | 0 | 0 | 0 | 107.7 | V93 R97 | V93-P95 VanDerWaalsContact O-CD 3.23Å; V93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-R97 PolarHBondContact O-N 3.29Å |
| 96 | L | 64.6 | Low | 59 | Low | 102 Ų | 102 | 128.1 Ų | 128.1 | 53% | 0.534 | 69% | 0.694 | S | S | . | * | | | trans | -58.3 | 116.5 | -179 | -79.9 | 84.3 | 0 | 0 | 0 | 106.7 | R94 R98 L105 L107 | R94-L96 PolarHBondContact O-N 2.92Å; L96-R98 PolarHBondContact O-N 3.33Å; L96-L105 HydrophobicContact CB-CD1 4.06Å; L96-L105 HydrophobicContact CD2-CD1 3.75Å; L96-L107 HydrophobicContact CD2-CD1 4.03Å |
| 97 | R | 65.9 | Low | 59.2 | Low | 244 Ų | 244 | 127.6 Ų | 127.6 | 92% | 0.921 | 69% | 0.687 | S | S | * | * | | | trans | -61.8 | 113.7 | -176.4 | -67.2 | -139.1 | 160.9 | -154.2 | -4.9 | 108.4 | P95 | P95-R97 PolarHBondContact O-N 3.29Š|
| 98 | R | 68.3 | Low | 59.7 | Low | 235 Ų | 235 | 130.9 Ų | 130.9 | 89% | 0.887 | 69% | 0.692 | S | S | * | * | | | trans | -70.4 | 127.8 | 178.1 | -64.3 | -174.9 | 177.5 | -177.9 | -0.8 | 108.6 | L96 | L96-R98 PolarHBondContact O-N 3.33Š|
| 99 | C | 60.6 | Low | 60.3 | Low | 86 Ų | 86 | 133.7 Ų | 133.7 | 58% | 0.581 | 70% | 0.696 | S | S | * | * | | | trans | -68.9 | 140.1 | 175.5 | -94.5 | 0 | 0 | 0 | 0 | 111 | G101 | C99-G101 PolarHBondContact O-N 2.87Š|
| 100 | P | 65.4 | Low | 61.4 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 92% | 0.922 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -76.3 | 77.1 | 171.2 | 32.8 | -32.4 | 0 | 0 | 0 | 108.7 | | |
| 101 | G | 64.7 | Low | 62.4 | Low | 38 Ų | 38 | 125 Ų | 125 | 39% | 0.392 | 67% | 0.666 | S | S | . | * | S | Bend | trans | 152.9 | 106.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 105 | C99 H103 | C99-G101 PolarHBondContact O-N 2.87Å; G101-H103 PolarHBondContact O-N 3.1Å |
| 102 | C | 65.6 | Low | 63.3 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | | | trans | -55.3 | 79.6 | -169.4 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 103 | H | 58.2 | Low | 64.4 | Low | 147 Ų | 147 | 127.3 Ų | 127.3 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | | | trans | -99 | 85.5 | 151.4 | -49.9 | -42.7 | 0 | 0 | 0 | 103.7 | G101 L105 | G101-H103 PolarHBondContact O-N 3.1Å; H103-L105 VanDerWaalsContact C-N 3.26Å; H103-L105 PolarHBondContact O-N 2.84Å |
| 104 | C | 57.1 | Low | 65.5 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 74% | 0.736 | 66% | 0.664 | S | S | * | * | | | trans | -46.4 | 110.4 | 152.8 | -55.9 | 0 | 0 | 0 | 0 | 103.4 | T106 | C104-T106 VanDerWaalsContact C-N 3.33Å; C104-T106 PolarHBondContact O-N 3.15Å |
| 105 | L | 57.9 | Low | 66.2 | Low | 98 Ų | 98 | 120.7 Ų | 120.7 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | | | trans | -48.5 | 113.3 | 173.1 | -70.5 | 168.1 | 0 | 0 | 0 | 103.9 | L96 H103 L107 | L96-L105 HydrophobicContact CB-CD1 4.06Å; L96-L105 HydrophobicContact CD2-CD1 3.75Å; H103-L105 VanDerWaalsContact C-N 3.26Å; H103-L105 PolarHBondContact O-N 2.84Å; L105-L107 HydrophobicContact CB-CB 4.11Å; L105-L107 HydrophobicContact CB-CD1 3.85Å; L105-L107 HydrophobicContact CB-CG 3.86Å; L105-L107 HydrophobicContact CD1-CD1 3.84Å; L105-L107 HydrophobicContact CD2-CD1 4.49Å; L105-L107 HydrophobicContact CG-CD1 4.27Å; L105-L107 PolarHBondContact O-N 2.91Å |
| 106 | T | 54.3 | Low | 67 | Low | 143 Ų | 143 | 119.7 Ų | 119.7 | 88% | 0.877 | 63% | 0.632 | S | S | * | * | | | trans | -70.1 | 29.1 | 170.2 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | C104 L108 | C104-T106 VanDerWaalsContact C-N 3.33Å; C104-T106 PolarHBondContact O-N 3.15Å; T106-L108 PolarHBondContact O-N 3.07Å |
| 107 | L | 56.5 | Low | 68 | Low | 107 Ų | 107 | 119 Ų | 119 | 56% | 0.56 | 64% | 0.642 | S | S | * | * | | | trans | -65.6 | 95.1 | 151.3 | -61.4 | 173.8 | 0 | 0 | 0 | 103.4 | L96 L105 H109 | L96-L107 HydrophobicContact CD2-CD1 4.03Å; L105-L107 HydrophobicContact CB-CB 4.11Å; L105-L107 HydrophobicContact CB-CD1 3.85Å; L105-L107 HydrophobicContact CB-CG 3.86Å; L105-L107 HydrophobicContact CD1-CD1 3.84Å; L105-L107 HydrophobicContact CD2-CD1 4.49Å; L105-L107 HydrophobicContact CG-CD1 4.27Å; L105-L107 PolarHBondContact O-N 2.91Å; L107-H109 VanDerWaalsContact C-N 3.27Å; L107-H109 PolarHBondContact O-N 3.07Å |
| 108 | L | 59.4 | Low | 68.7 | Low | 152 Ų | 152 | 113.5 Ų | 113.5 | 80% | 0.796 | 63% | 0.628 | S | S | * | * | | | trans | -40.6 | 110.8 | 148.3 | -71.3 | 166.9 | 0 | 0 | 0 | 104.6 | T106 V110 | T106-L108 PolarHBondContact O-N 3.07Å; L108-V110 HydrophobicContact CB-CG2 4.13Å; L108-V110 PolarHBondContact O-N 3.03Å |
| 109 | H | 63 | Low | 69.4 | Low | 178 Ų | 178 | 105.5 Ų | 105.5 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | | | trans | -75 | 60.5 | -174.1 | -170.1 | 84.7 | 0 | 0 | 0 | 107.8 | L107 P111 | L107-H109 VanDerWaalsContact C-N 3.27Å; L107-H109 PolarHBondContact O-N 3.07Å; H109-P111 WeakPolarHBondContact O-CD 3.45Å |
| 110 | V | 72.6 | Confident | 70.5 | Confident | 58 Ų | 58 | 102.3 Ų | 102.3 | 35% | 0.352 | 60% | 0.601 | S | S | . | * | | | trans | -91 | 111.2 | 171.6 | 179.4 | 0 | 0 | 0 | 0 | 103.9 | L108 V114 M118 | L108-V110 HydrophobicContact CB-CG2 4.13Å; L108-V110 PolarHBondContact O-N 3.03Å; V110-V114 HydrophobicContact CG1-CB 3.67Å; V110-V114 HydrophobicContact CG1-CG1 3.64Å; V110-M118 HydrophobicContact CG1-CE 3.65Å |
| 111 | P | 78.4 | Confident | 71 | Confident | 62 Ų | 62 | 98.9 Ų | 98.9 | 40% | 0.403 | 58% | 0.58 | S | S | . | * | | | trans | -50.6 | 145.5 | 173.4 | -28.5 | 38.9 | 0 | 0 | 0 | 110.9 | H109 D113 V114 Y115 | H109-P111 WeakPolarHBondContact O-CD 3.45Å; P111-D113 WeakPolarHBondContact CB-OD1 2.97Å; P111-D113 PolarHBondContact O-N 2.87Å; P111-V114 HydrophobicContact CB-CG2 4.18Å; P111-V114 HydrophobicContact CG-CG2 4.35Å; P111-V114 WeakPolarHBondContact O-CA 3.33Å; P111-V114 WeakPolarHBondContact O-CB 3.3Å; P111-V114 PolarHBondContact O-N 2.79Å; P111-Y115 PolarHBondContact O-N 3.38Å |
| 112 | I | 74.9 | Confident | 71.2 | Confident | 125 Ų | 125 | 102 Ų | 102 | 64% | 0.641 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.9 | -35.9 | -172.6 | -66.7 | 168.4 | 0 | 0 | 0 | 111 | V114 Y115 L116 | I112-V114 PolarHBondContact O-N 3Å; I112-Y115 PolarHBondContact O-N 3.11Å; I112-L116 HydrophobicContact CG2-CD1 3.99Å; I112-L116 HydrophobicContact CG2-CG 4.33Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 VanDerWaalsContact O-CG 3.24Å; I112-L116 WeakPolarHBondContact O-CG 2.88Å; I112-L116 PolarHBondContact O-N 3.39Å |
| 113 | D | 77.7 | Confident | 71.5 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.5 | -43.2 | 171.6 | 54.6 | -52.2 | 0 | 0 | 0 | 112.5 | P111 A117 | P111-D113 WeakPolarHBondContact CB-OD1 2.97Å; P111-D113 PolarHBondContact O-N 2.87Å; D113-A117 VanDerWaalsContact O-CB 3.3Å; D113-A117 WeakPolarHBondContact O-CB 3.24Å; D113-A117 PolarHBondContact O-N 2.96Å |
| 114 | V | 81.7 | Confident | 71.8 | Confident | 60 Ų | 60 | 104.4 Ų | 104.4 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.4 | -39.1 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | V110 P111 I112 L116 A117 M118 | V110-V114 HydrophobicContact CG1-CB 3.67Å; V110-V114 HydrophobicContact CG1-CG1 3.64Å; P111-V114 HydrophobicContact CB-CG2 4.18Å; P111-V114 HydrophobicContact CG-CG2 4.35Å; P111-V114 WeakPolarHBondContact O-CA 3.33Å; P111-V114 WeakPolarHBondContact O-CB 3.3Å; P111-V114 PolarHBondContact O-N 2.79Å; I112-V114 PolarHBondContact O-N 3Å; V114-L116 PolarHBondContact O-N 3.25Å; V114-A117 PolarHBondContact O-N 2.81Å; V114-M118 HydrophobicContact CG1-CE 4.07Å; V114-M118 HydrophobicContact CG1-SD 4.35Å; V114-M118 WeakPolarHBondContact O-CG 3.06Å; V114-M118 PolarHBondContact O-N 2.88Å |
| 115 | Y | 78.5 | Confident | 72 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 40% | 0.4 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.4 | -43.7 | 175.4 | 174.3 | -102.6 | 0 | 0 | 0 | 111.9 | P111 I112 M118 G120 S121 | P111-Y115 PolarHBondContact O-N 3.38Å; I112-Y115 PolarHBondContact O-N 3.11Å; Y115-M118 PolarHBondContact O-N 3.4Å; Y115-G120 WeakPolarHBondContact O-CA 3.49Å; Y115-G120 PolarHBondContact O-N 2.83Å; Y115-S121 PolarHBondContact OH-N 3.39Å; Y115-S121 PolarHBondContact OH-O 3.31Å |
| 116 | L | 81.4 | Confident | 71.9 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 176.4 | -67.6 | 172.3 | 0 | 0 | 0 | 111.4 | I112 V114 M118 G119 | I112-L116 HydrophobicContact CG2-CD1 3.99Å; I112-L116 HydrophobicContact CG2-CG 4.33Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 VanDerWaalsContact O-CG 3.24Å; I112-L116 WeakPolarHBondContact O-CG 2.88Å; I112-L116 PolarHBondContact O-N 3.39Å; V114-L116 PolarHBondContact O-N 3.25Å; L116-M118 VanDerWaalsContact C-N 3.25Å; L116-M118 PolarHBondContact O-N 3.17Å; L116-G119 PolarHBondContact O-N 3.5Å |
| 117 | A | 85.3 | Confident | 71.9 | Confident | 89 Ų | 89 | 113.9 Ų | 113.9 | 74% | 0.736 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.6 | -31 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D113 V114 G119 | D113-A117 VanDerWaalsContact O-CB 3.3Å; D113-A117 WeakPolarHBondContact O-CB 3.24Å; D113-A117 PolarHBondContact O-N 2.96Å; V114-A117 PolarHBondContact O-N 2.81Å; A117-G119 PolarHBondContact O-N 3.08Å |
| 118 | M | 81.2 | Confident | 72.7 | Confident | 128 Ų | 128 | 114.3 Ų | 114.3 | 63% | 0.631 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 5.9 | 174.1 | -67.1 | -173.5 | -56.6 | 0 | 0 | 113.9 | V110 V114 Y115 L116 | V110-M118 HydrophobicContact CG1-CE 3.65Å; V114-M118 HydrophobicContact CG1-CE 4.07Å; V114-M118 HydrophobicContact CG1-SD 4.35Å; V114-M118 WeakPolarHBondContact O-CG 3.06Å; V114-M118 PolarHBondContact O-N 2.88Å; Y115-M118 PolarHBondContact O-N 3.4Å; L116-M118 VanDerWaalsContact C-N 3.25Å; L116-M118 PolarHBondContact O-N 3.17Å |
| 119 | G | 83.4 | Confident | 73.4 | Confident | 67 Ų | 67 | 112.3 Ų | 112.3 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.6 | 16.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L116 A117 | L116-G119 PolarHBondContact O-N 3.5Å; A117-G119 PolarHBondContact O-N 3.08Å |
| 120 | G | 82.6 | Confident | 74 | Confident | 19 Ų | 19 | 108.6 Ų | 108.6 | 20% | 0.196 | 63% | 0.626 | C | S | . | * | | | trans | -64 | 133.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y115 | Y115-G120 WeakPolarHBondContact O-CA 3.49Å; Y115-G120 PolarHBondContact O-N 2.83Å |
| 121 | S | 77.4 | Confident | 74.1 | Confident | 70 Ų | 70 | 111.6 Ų | 111.6 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | | | trans | -98 | 129.9 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | Y115 R123 | Y115-S121 PolarHBondContact OH-N 3.39Å; Y115-S121 PolarHBondContact OH-O 3.31Å; S121-R123 PolarHBondContact O-N 3.34Å; S121-R123 VanDerWaalsContact O-N 3.11Å |
| 122 | P | 67.2 | Low | 73.8 | Confident | 102 Ų | 102 | 114.7 Ų | 114.7 | 66% | 0.662 | 66% | 0.657 | S | S | * | * | | | trans | -84.7 | 35.2 | 175 | 36.6 | -36.1 | 0 | 0 | 0 | 111 | A124 | P122-A124 PolarHBondContact O-N 3.29Š|
| 123 | R | 73.1 | Confident | 73.7 | Confident | 225 Ų | 225 | 114 Ų | 114 | 85% | 0.849 | 66% | 0.658 | S | S | * | * | | | trans | -52.2 | 109.6 | -170.8 | -119.7 | -176.4 | -179.9 | -104 | 1.4 | 109.1 | S121 R125 | S121-R123 PolarHBondContact O-N 3.34Å; S121-R123 VanDerWaalsContact O-N 3.11Å; R123-R125 PolarHBondContact O-N 3.21Å |
| 124 | A | 63.8 | Low | 73.4 | Confident | 94 Ų | 94 | 114.2 Ų | 114.2 | 78% | 0.777 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P122 A126 | P122-A124 PolarHBondContact O-N 3.29Å; A124-A126 PolarHBondContact O-N 3.47Å |
| 125 | R | 61.6 | Low | 72.8 | Confident | 243 Ų | 243 | 118.4 Ų | 118.4 | 92% | 0.917 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.9 | 170.8 | -155.8 | 178.2 | -148.5 | -163.5 | 4.2 | 106.8 | R123 T127 | R123-R125 PolarHBondContact O-N 3.21Å; R125-T127 PolarHBondContact O-N 3.43Å |
| 126 | A | 56.9 | Low | 72.3 | Confident | 94 Ų | 94 | 119.8 Ų | 119.8 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A124 | A124-A126 PolarHBondContact O-N 3.47Š|
| 127 | T | 54.2 | Low | 71.5 | Confident | 213 Ų | 213 | 122.2 Ų | 122.2 | 100% | 1.307 | 73% | 0.73 | S | S | * | * | | | trans | -60.2 | 0 | -174.3 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | R125 | R125-T127 PolarHBondContact O-N 3.43Š|