| 1 | M | 46.8 | Very low | 40.7 | Very low | 243 Ų | 243 | 153.7 Ų | 153.7 | 100% | 1.197 | 84% | 0.842 | S | S | * | * | | | | 0 | 115.5 | 0 | -70.6 | -176.3 | 176.6 | 0 | 0 | 106.6 | | |
| 2 | S | 40 | Very low | 41 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | | | trans | -94.2 | 131.9 | -147.3 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | F4 | S2-F4 PolarHBondContact O-N 3.35Š|
| 3 | F | 48.8 | Very low | 41.4 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | | | trans | -47.2 | 70.4 | 169.4 | -132 | -98.6 | 0 | 0 | 0 | 115.4 | | |
| 4 | F | 40.5 | Very low | 42.1 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 82% | 0.82 | 83% | 0.826 | S | S | * | * | | | trans | -142.1 | 107.2 | 166.7 | -67.2 | -78 | 0 | 0 | 0 | 110.6 | S2 | S2-F4 PolarHBondContact O-N 3.35Š|
| 5 | S | 44.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | | | trans | -142.1 | 97.5 | 166.4 | -54.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 6 | N | 37.9 | Very low | 42.8 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | | | trans | 34.4 | 98.1 | 151.1 | -86.3 | 16.7 | 0 | 0 | 0 | 119.6 | S8 | N6-S8 PolarHBondContact O-N 3.07Š|
| 7 | W | 38.6 | Very low | 43.6 | Very low | 249 Ų | 249 | 149.9 Ų | 149.9 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | | | trans | -58.8 | 111 | 138.4 | -175.1 | -59.3 | 0 | 0 | 0 | 109.6 | | |
| 8 | S | 39.4 | Very low | 44.7 | Very low | 89 Ų | 89 | 154.6 Ų | 154.6 | 62% | 0.622 | 82% | 0.824 | S | S | * | * | | | trans | -156.8 | 97.4 | 168.9 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | N6 | N6-S8 PolarHBondContact O-N 3.07Š|
| 9 | S | 35.8 | Very low | 45.7 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | 45.5 | 114.2 | 135.7 | -55.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 10 | S | 34.4 | Very low | 46.5 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | | 73.3 | 91.6 | 116.2 | -162 | 0 | 0 | 0 | 0 | 118.4 | | |
| 11 | S | 40.3 | Very low | 47.3 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -120.4 | 101 | 156.7 | 172.1 | 0 | 0 | 0 | 0 | 108 | E13 | S11-E13 PolarHBondContact O-N 3.22Š|
| 12 | S | 44.8 | Very low | 47.6 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -73.9 | 97.4 | -179.3 | 52 | 0 | 0 | 0 | 0 | 110.7 | D14 | S12-D14 PolarHBondContact O-N 3Š|
| 13 | E | 46.8 | Very low | 48.1 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -81.6 | 97.7 | 165.6 | -59.2 | -163.1 | 127 | 0 | 0 | 108.4 | S11 E15 | S11-E13 PolarHBondContact O-N 3.22Å; E13-E15 VanDerWaalsContact C-N 3.28Å; E13-E15 PolarHBondContact O-N 3.43Å |
| 14 | D | 50.9 | Low | 48.5 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 32.2 | 44 | 134.4 | -150.4 | 43.1 | 0 | 0 | 0 | 119.3 | S12 | S12-D14 PolarHBondContact O-N 3Š|
| 15 | E | 48.9 | Very low | 49.6 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | -115.1 | 82.3 | 169.2 | -73.8 | -121.1 | 133.8 | 0 | 0 | 109.1 | E13 | E13-E15 VanDerWaalsContact C-N 3.28Å; E13-E15 PolarHBondContact O-N 3.43Å |
| 16 | G | 46.2 | Very low | 50.5 | Low | 68 Ų | 68 | 155.4 Ų | 155.4 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | -164.9 | 8.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | W18 | G16-W18 VanDerWaalsContact C-N 3.35Å; G16-W18 PolarHBondContact O-N 3.24Å |
| 17 | F | 56.6 | Low | 51.6 | Low | 179 Ų | 179 | 156.7 Ų | 156.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -86.9 | 8.7 | -174.1 | -92.8 | -79.3 | 0 | 0 | 0 | 116.3 | | |
| 18 | W | 62.9 | Low | 52.8 | Low | 235 Ų | 235 | 150.3 Ų | 150.3 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -102.3 | 121 | 173 | -65.3 | 100.8 | 0 | 0 | 0 | 110.1 | G16 | G16-W18 VanDerWaalsContact C-N 3.35Å; G16-W18 PolarHBondContact O-N 3.24Å |
| 19 | P | 65 | Low | 53.7 | Low | 109 Ų | 109 | 150.5 Ų | 150.5 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 134 | 174.7 | 23.8 | -30.4 | 0 | 0 | 0 | 108.8 | | |
| 20 | P | 61.5 | Low | 54.4 | Low | 111 Ų | 111 | 148.5 Ų | 148.5 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 149.4 | -179.2 | 20.9 | -30.8 | 0 | 0 | 0 | 110.4 | G22 | P20-G22 PolarHBondContact O-N 3.11Š|
| 21 | P | 62.8 | Low | 55.4 | Low | 145 Ų | 145 | 150.9 Ų | 150.9 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -66.9 | 87.7 | 177.8 | 27.3 | -32.2 | 0 | 0 | 0 | 108.9 | | |
| 22 | G | 51.9 | Low | 56.2 | Low | 59 Ų | 59 | 156.7 Ų | 156.7 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | | | trans | -158.3 | 106.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P20 | P20-G22 PolarHBondContact O-N 3.11Š|
| 23 | R | 50.7 | Low | 56.8 | Low | 244 Ų | 244 | 159.5 Ų | 159.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | 51.2 | 90.1 | 168 | -72.5 | -180 | 164 | 179 | -4.2 | 115 | K25 | R23-K25 PolarHBondContact O-N 3.16Š|
| 24 | R | 57.5 | Low | 57.3 | Low | 248 Ų | 248 | 156.2 Ų | 156.2 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | | | trans | -49.7 | 110.6 | 153.8 | -67.8 | 177.4 | 77.3 | 137.2 | 0.2 | 107.3 | R26 | R24-R26 PolarHBondContact O-N 2.7Š|
| 25 | K | 63.6 | Low | 57.6 | Low | 195 Ų | 195 | 156.3 Ų | 156.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -53.8 | 113.5 | 167.4 | -81.8 | -173.9 | 177.1 | 179 | 0 | 105.8 | R23 H27 | R23-K25 PolarHBondContact O-N 3.16Å; K25-H27 PolarHBondContact O-N 3.12Å |
| 26 | R | 65 | Low | 57.7 | Low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57 | 116.7 | 168.1 | -71.5 | -177.4 | 171.2 | -139.1 | -1.2 | 105.3 | R24 | R24-R26 PolarHBondContact O-N 2.7Š|
| 27 | H | 60.8 | Low | 58.2 | Low | 173 Ų | 173 | 156.2 Ų | 156.2 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 133 | 166.6 | -82.9 | -95.4 | 0 | 0 | 0 | 106.6 | K25 A29 | K25-H27 PolarHBondContact O-N 3.12Å; H27-A29 PolarHBondContact O-N 2.79Å; H27-A29 VanDerWaalsContact O-N 3.17Å |
| 28 | P | 62.6 | Low | 57.6 | Low | 115 Ų | 115 | 154.5 Ų | 154.5 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 129.1 | 171.7 | 22.3 | -29.5 | 0 | 0 | 0 | 106.6 | G30 | P28-G30 VanDerWaalsContact C-N 3.33Å; P28-G30 PolarHBondContact O-N 2.03Å |
| 29 | A | 58.5 | Low | 56.6 | Low | 94 Ų | 94 | 149.4 Ų | 149.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -54.5 | 103.8 | 175 | 0 | 0 | 0 | 0 | 0 | 106.7 | H27 N31 | H27-A29 PolarHBondContact O-N 2.79Å; H27-A29 VanDerWaalsContact O-N 3.17Å; A29-N31 PolarHBondContact O-N 3.4Å; A29-N31 VanDerWaalsContact O-N 3.12Å |
| 30 | G | 51.5 | Low | 55.7 | Low | 67 Ų | 67 | 150.2 Ų | 150.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | -67.7 | 112.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | P28 R32 | P28-G30 VanDerWaalsContact C-N 3.33Å; P28-G30 PolarHBondContact O-N 2.03Å; G30-R32 PolarHBondContact O-N 3.32Å |
| 31 | N | 54 | Low | 54.8 | Low | 167 Ų | 167 | 148.8 Ų | 148.8 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -69.7 | 53.7 | 166.6 | -78.3 | -10.4 | 0 | 0 | 0 | 110.8 | A29 | A29-N31 PolarHBondContact O-N 3.4Å; A29-N31 VanDerWaalsContact O-N 3.12Å |
| 32 | R | 57.9 | Low | 54 | Low | 232 Ų | 232 | 147.9 Ų | 147.9 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | | | trans | -108.6 | 97.6 | 168.3 | -76 | -171 | 176.1 | 175.2 | -1.5 | 107.4 | G30 | G30-R32 PolarHBondContact O-N 3.32Š|
| 33 | Q | 57.9 | Low | 53.9 | Low | 170 Ų | 170 | 148.3 Ų | 148.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -51.6 | 122.8 | 161.9 | -166.6 | 174.4 | -41.3 | 0 | 0 | 107.1 | D35 | Q33-D35 PolarHBondContact O-N 3.42Š|
| 34 | P | 57.3 | Low | 53.6 | Low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | -65 | 122.7 | 173.6 | 24.7 | -28.6 | 0 | 0 | 0 | 107.6 | D36 | P34-D36 PolarHBondContact O-N 3.27Š|
| 35 | D | 55.6 | Low | 53 | Low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -62.6 | 114.8 | 166.7 | -76 | -44.8 | 0 | 0 | 0 | 107.8 | Q33 S37 | Q33-D35 PolarHBondContact O-N 3.42Å; D35-S37 PolarHBondContact O-N 2.83Å |
| 36 | D | 52 | Low | 52.1 | Low | 161 Ų | 161 | 132.6 Ų | 132.6 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 24.1 | -177.4 | -72.7 | -47.9 | 0 | 0 | 0 | 114.2 | P34 | P34-D36 PolarHBondContact O-N 3.27Š|
| 37 | S | 56.4 | Low | 51.1 | Low | 96 Ų | 96 | 124.5 Ų | 124.5 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 6.2 | -167 | 40.9 | 0 | 0 | 0 | 0 | 115.8 | D35 | D35-S37 PolarHBondContact O-N 2.83Š|
| 38 | N | 43.9 | Very low | 50.2 | Low | 144 Ų | 144 | 122.9 Ų | 122.9 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | -118 | 98.2 | 170.3 | -87 | -16 | 0 | 0 | 0 | 111.5 | T40 | N38-T40 VanDerWaalsContact C-N 3.31Å; N38-T40 PolarHBondContact O-N 3.5Å |
| 39 | S | 42.2 | Very low | 49.4 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | | | trans | -58.2 | 89 | 166.3 | 53 | 0 | 0 | 0 | 0 | 110.2 | | |
| 40 | T | 45.9 | Very low | 48.8 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -94.2 | 103.8 | 163.9 | 39.3 | 0 | 0 | 0 | 0 | 106.7 | N38 S42 | N38-T40 VanDerWaalsContact C-N 3.31Å; N38-T40 PolarHBondContact O-N 3.5Å; T40-S42 PolarHBondContact O-N 2.91Å; T40-S42 VanDerWaalsContact O-N 3.15Å |
| 41 | S | 42.8 | Very low | 48.2 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 57% | 0.573 | 74% | 0.743 | S | S | * | * | | | trans | -47.4 | 117.5 | 170.4 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | S43 | S41-S43 PolarHBondContact O-N 3.13Š|
| 42 | S | 46.7 | Very low | 47.5 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 88% | 0.881 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 30.6 | 178.4 | 50 | 0 | 0 | 0 | 0 | 113.6 | T40 | T40-S42 PolarHBondContact O-N 2.91Å; T40-S42 VanDerWaalsContact O-N 3.15Å |
| 43 | S | 49 | Very low | 46.7 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 47% | 0.469 | 74% | 0.74 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | -10.3 | 173.8 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | S41 S47 | S41-S43 PolarHBondContact O-N 3.13Å; S43-S47 PolarHBondContact O-OG 3.24Å |
| 44 | D | 45.4 | Very low | 46.1 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -99.2 | 1.6 | -164.7 | -66 | -13.7 | 0 | 0 | 0 | 115 | | |
| 45 | C | 45 | Very low | 45.4 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -102.6 | -10.4 | -178.6 | -132.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 46 | V | 44.7 | Very low | 44.7 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -109.6 | -4.4 | 177.6 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 47 | S | 44.1 | Very low | 44.3 | Very low | 70 Ų | 70 | 127.6 Ų | 127.6 | 49% | 0.49 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -99 | -1.2 | -170 | -47.8 | 0 | 0 | 0 | 0 | 114.6 | S43 | S43-S47 PolarHBondContact O-OG 3.24Š|
| 48 | N | 40.7 | Very low | 43.7 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -111 | 5.6 | -171.3 | -80.8 | -33.9 | 0 | 0 | 0 | 115.3 | | |
| 49 | I | 46.9 | Very low | 43.6 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -92.2 | -16.7 | 174.8 | -67 | 172.5 | 0 | 0 | 0 | 111.7 | | |
| 50 | L | 44.7 | Very low | 43.7 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 67% | 0.665 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -120.3 | 141.9 | 176.6 | -71.3 | 148.4 | 0 | 0 | 0 | 106.7 | | |
| 51 | F | 39.1 | Very low | 43.6 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | 83.7 | 59.5 | 178.5 | -51.9 | -80.9 | 0 | 0 | 0 | 117 | | |
| 52 | R | 39.3 | Very low | 43.4 | Very low | 253 Ų | 253 | 137.2 Ų | 137.2 | 96% | 0.955 | 76% | 0.757 | S | S | * | * | | | trans | -127.7 | 55.5 | 146 | -79.2 | -165.7 | 173.1 | -157 | -0.3 | 111.2 | | |
| 53 | S | 42 | Very low | 43.1 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -155.1 | 106.9 | 153.4 | 56.1 | 0 | 0 | 0 | 0 | 108.5 | D55 | S53-D55 PolarHBondContact O-N 3.29Å; S53-D55 VanDerWaalsContact O-N 3.16Å |
| 54 | S | 44.7 | Very low | 43.1 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -59.6 | 100 | 171 | 45.7 | 0 | 0 | 0 | 0 | 111 | | |
| 55 | D | 42.2 | Very low | 43.3 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | -156.4 | 95.9 | 134.9 | -122.3 | -18.6 | 0 | 0 | 0 | 109.4 | S53 | S53-D55 PolarHBondContact O-N 3.29Å; S53-D55 VanDerWaalsContact O-N 3.16Å |
| 56 | P | 41.3 | Very low | 43.7 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | trans | -88.3 | 153.9 | -175.2 | 35 | -30.7 | 0 | 0 | 0 | 110.9 | | |
| 57 | V | 43.8 | Very low | 43.8 | Very low | 115 Ų | 115 | 145 Ų | 145 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 128.3 | -31.9 | 155.2 | -176.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 58 | F | 42.9 | Very low | 43.8 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -122.6 | 4.6 | -158 | -85.5 | -77.3 | 0 | 0 | 0 | 122.2 | A60 | F58-A60 WeakPolarHBondContact O-CB 3.09Å; F58-A60 PolarHBondContact O-N 3.16Å |
| 59 | I | 42 | Very low | 44.3 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -101.6 | 61 | 167.2 | -48.7 | 176.2 | 0 | 0 | 0 | 108.3 | | |
| 60 | A | 44.2 | Very low | 44.2 | Very low | 67 Ų | 67 | 151.8 Ų | 151.8 | 55% | 0.554 | 79% | 0.785 | S | S | * | * | | | | 72.3 | 68.6 | 95.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F58 N62 | F58-A60 WeakPolarHBondContact O-CB 3.09Å; F58-A60 PolarHBondContact O-N 3.16Å; A60-N62 VanDerWaalsContact C-N 3.31Å; A60-N62 PolarHBondContact O-N 3.36Å |
| 61 | Q | 43.4 | Very low | 44.3 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | S | Bend | | 74.2 | -9.4 | 99.3 | -73.3 | -172.8 | 7.1 | 0 | 0 | 118 | | |
| 62 | N | 40 | Very low | 44.8 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -140.5 | 112 | 174.5 | -83.1 | -18 | 0 | 0 | 0 | 112.2 | A60 | A60-N62 VanDerWaalsContact C-N 3.31Å; A60-N62 PolarHBondContact O-N 3.36Å |
| 63 | G | 39.2 | Very low | 45.1 | Very low | 75 Ų | 75 | 146.4 Ų | 146.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 152.6 | -23.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 64 | L | 48.6 | Very low | 45.2 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | | | trans | -114.2 | 81.9 | -170.5 | -66.3 | 167.9 | 0 | 0 | 0 | 110.9 | P66 | L64-P66 VanDerWaalsContact O-CD 3.29Å; L64-P66 WeakPolarHBondContact O-CD 3.02Å |
| 65 | K | 51.5 | Low | 45.6 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -61.9 | 119.1 | 153 | -99.2 | -175.8 | 178.4 | 177.3 | 0 | 106 | H67 | K65-H67 PolarHBondContact O-N 2.87Š|
| 66 | P | 52.6 | Low | 46 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | -62 | 114.3 | 174.1 | 23.9 | -30.6 | 0 | 0 | 0 | 107.9 | L64 R68 | L64-P66 VanDerWaalsContact O-CD 3.29Å; L64-P66 WeakPolarHBondContact O-CD 3.02Å; P66-R68 VanDerWaalsContact C-N 3.28Å; P66-R68 PolarHBondContact O-N 3.16Å |
| 67 | H | 45.7 | Very low | 45.9 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -69.1 | 92.7 | 172.7 | -164.4 | 8.7 | 0 | 0 | 0 | 107.5 | K65 F69 | K65-H67 PolarHBondContact O-N 2.87Å; H67-F69 PolarHBondContact O-N 3.47Å |
| 68 | R | 44.1 | Very low | 45.9 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 75% | 0.751 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 102.9 | 173.6 | -166.1 | 174 | 179 | 147.1 | -1.3 | 107.1 | P66 H70 | P66-R68 VanDerWaalsContact C-N 3.28Å; P66-R68 PolarHBondContact O-N 3.16Å; R68-H70 PolarHBondContact O-N 2.67Å |
| 69 | F | 51.6 | Low | 46.2 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -61.4 | 110.2 | 166.4 | -68.9 | -80.8 | 0 | 0 | 0 | 107.8 | H67 L71 | H67-F69 PolarHBondContact O-N 3.47Å; F69-L71 VanDerWaalsContact C-N 3.32Å; F69-L71 PolarHBondContact O-N 2.78Å |
| 70 | H | 44.4 | Very low | 46 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | | | trans | -73.3 | 92 | 168.2 | -78.7 | -90.9 | 0 | 0 | 0 | 107.7 | R68 N72 | R68-H70 PolarHBondContact O-N 2.67Å; H70-N72 PolarHBondContact O-N 3.09Å; H70-N72 VanDerWaalsContact O-N 3.08Å |
| 71 | L | 48.9 | Very low | 46.2 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -67.2 | 101.4 | 161.3 | -108.1 | 134.1 | 0 | 0 | 0 | 106.8 | F69 Q73 | F69-L71 VanDerWaalsContact C-N 3.32Å; F69-L71 PolarHBondContact O-N 2.78Å; L71-Q73 PolarHBondContact O-N 2.92Å |
| 72 | N | 48 | Very low | 46.2 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -65.4 | 85.5 | 165.6 | -71.5 | -25.3 | 0 | 0 | 0 | 107.5 | H70 S74 | H70-N72 PolarHBondContact O-N 3.09Å; H70-N72 VanDerWaalsContact O-N 3.08Å; N72-S74 VanDerWaalsContact C-N 3.33Å; N72-S74 PolarHBondContact O-N 2.79Å |
| 73 | Q | 47.2 | Very low | 46.9 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | -69.6 | 97.2 | 167.9 | -68.2 | -172.6 | 7.5 | 0 | 0 | 107.1 | L71 | L71-Q73 PolarHBondContact O-N 2.92Š|
| 74 | S | 43.6 | Very low | 47.5 | Very low | 74 Ų | 74 | 143 Ų | 143 | 52% | 0.517 | 77% | 0.767 | S | S | . | * | | | trans | -56.7 | 129.9 | 164 | 165.1 | 0 | 0 | 0 | 0 | 108.6 | N72 N76 | N72-S74 VanDerWaalsContact C-N 3.33Å; N72-S74 PolarHBondContact O-N 2.79Å; S74-N76 PolarHBondContact O-N 3.29Å; S74-N76 PolarHBondContact OG-N 3.08Å |
| 75 | P | 52.9 | Low | 47.9 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 0.8 | -178.6 | -4.9 | 14.6 | 0 | 0 | 0 | 114.9 | | |
| 76 | N | 49.4 | Very low | 47.8 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 12.2 | -166.3 | -76 | 7.5 | 0 | 0 | 0 | 115.8 | S74 S78 | S74-N76 PolarHBondContact O-N 3.29Å; S74-N76 PolarHBondContact OG-N 3.08Å; N76-S78 PolarHBondContact O-N 2.72Å |
| 77 | S | 40.4 | Very low | 47.5 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -93.2 | 79.8 | 178.2 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 78 | S | 43.4 | Very low | 47.5 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -82.8 | 143.8 | 162.4 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | N76 | N76-S78 PolarHBondContact O-N 2.72Š|
| 79 | S | 48.7 | Very low | 47.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 66.2 | 112.7 | -178.4 | 72 | 0 | 0 | 0 | 0 | 112.8 | | |
| 80 | G | 38.9 | Very low | 47.3 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | | 86.7 | 120.7 | 63.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 81 | I | 47.7 | Very low | 47.3 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 97.2 | 116.4 | -177.6 | -44.1 | 150.3 | 0 | 0 | 0 | 113.4 | S83 | I81-S83 PolarHBondContact O-N 3.03Å; I81-S83 PolarHBondContact O-OG 3.46Å; I81-S83 VanDerWaalsContact O-OG 3.11Å |
| 82 | F | 42.6 | Very low | 46.9 | Very low | 210 Ų | 210 | 134.4 Ų | 134.4 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | -41.5 | 90.9 | 174.7 | -134.6 | -99.5 | 0 | 0 | 0 | 111.5 | | |
| 83 | S | 55.6 | Low | 47 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -93 | 110.2 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 106.7 | I81 | I81-S83 PolarHBondContact O-N 3.03Å; I81-S83 PolarHBondContact O-OG 3.46Å; I81-S83 VanDerWaalsContact O-OG 3.11Å |
| 84 | Q | 52.7 | Low | 46.7 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 137.8 | 169.8 | -74.1 | 177 | -24.1 | 0 | 0 | 108.8 | G86 | Q84-G86 PolarHBondContact O-N 3.12Š|
| 85 | P | 56.7 | Low | 47 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 120.1 | 172.7 | 24.5 | -30.3 | 0 | 0 | 0 | 107.5 | | |
| 86 | G | 48.6 | Very low | 46.8 | Very low | 54 Ų | 54 | 138.1 Ų | 138.1 | 56% | 0.557 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 146.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q84 F88 | Q84-G86 PolarHBondContact O-N 3.12Å; G86-F88 VanDerWaalsContact O-CD2 3.23Å; G86-F88 WeakPolarHBondContact O-CD2 3.43Å; G86-F88 PolarHBondContact O-N 2.57Å |
| 87 | N | 46.2 | Very low | 46.8 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | | | trans | -33.5 | 92.5 | 177.3 | -92.1 | -21.7 | 0 | 0 | 0 | 112.5 | S89 | N87-S89 VanDerWaalsContact C-N 3.35Å; N87-S89 PolarHBondContact O-N 3.29Å; N87-S89 VanDerWaalsContact O-N 3.15Å |
| 88 | F | 46.5 | Very low | 47.4 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -79 | 97.1 | 160.7 | -80.3 | -82 | 0 | 0 | 0 | 105.7 | G86 Y90 | G86-F88 VanDerWaalsContact O-CD2 3.23Å; G86-F88 WeakPolarHBondContact O-CD2 3.43Å; G86-F88 PolarHBondContact O-N 2.57Å; F88-Y90 PolarHBondContact O-N 2.88Å |
| 89 | S | 45.4 | Very low | 47.8 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -55.7 | 105.6 | 162.5 | -171.7 | 0 | 0 | 0 | 0 | 106.9 | N87 Q91 | N87-S89 VanDerWaalsContact C-N 3.35Å; N87-S89 PolarHBondContact O-N 3.29Å; N87-S89 VanDerWaalsContact O-N 3.15Å; S89-Q91 PolarHBondContact O-N 3.29Å |
| 90 | Y | 45.6 | Very low | 48.1 | Very low | 220 Ų | 220 | 138.6 Ų | 138.6 | 86% | 0.863 | 76% | 0.755 | S | S | * | * | | | trans | -64.5 | 86.8 | 168.3 | -104.7 | -97.4 | 0 | 0 | 0 | 106.8 | F88 S92 | F88-Y90 PolarHBondContact O-N 2.88Å; Y90-S92 VanDerWaalsContact C-N 3.26Å; Y90-S92 PolarHBondContact O-N 3.05Å |
| 91 | Q | 43.9 | Very low | 48.7 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -68.9 | 96.8 | 154.1 | -81.5 | -171.6 | -12.8 | 0 | 0 | 105.9 | S89 S93 | S89-Q91 PolarHBondContact O-N 3.29Å; Q91-S93 PolarHBondContact O-N 3.29Å |
| 92 | S | 41.1 | Very low | 48.7 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | -63.2 | 91.2 | 168.4 | 60.1 | 0 | 0 | 0 | 0 | 108.1 | Y90 E94 | Y90-S92 VanDerWaalsContact C-N 3.26Å; Y90-S92 PolarHBondContact O-N 3.05Å; S92-E94 PolarHBondContact O-N 2.79Å |
| 93 | S | 49.1 | Very low | 48.9 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | -72.1 | 82.6 | 146.2 | 46.5 | 0 | 0 | 0 | 0 | 105.1 | Q91 M95 | Q91-S93 PolarHBondContact O-N 3.29Å; S93-M95 PolarHBondContact O-N 2.82Å |
| 94 | E | 41.7 | Very low | 48.7 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | trans | -56.4 | 93.6 | 169.1 | -88.6 | 179.6 | 157.9 | 0 | 0 | 107.1 | S92 N96 | S92-E94 PolarHBondContact O-N 2.79Å; E94-N96 PolarHBondContact O-N 3.02Å |
| 95 | M | 49.2 | Very low | 48.5 | Very low | 155 Ų | 155 | 134 Ų | 134 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | | | trans | -61.2 | 121 | 150.7 | -85.9 | -173.3 | 176.7 | 0 | 0 | 104.9 | S93 F97 | S93-M95 PolarHBondContact O-N 2.82Å; M95-F97 WeakPolarHBondContact O-CD2 3.25Å; M95-F97 PolarHBondContact O-N 3.46Å |
| 96 | N | 49.5 | Very low | 48.1 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | | | trans | -48.5 | 94.4 | 163.6 | -93 | -39.6 | 0 | 0 | 0 | 107.8 | E94 P98 | E94-N96 PolarHBondContact O-N 3.02Å; N96-P98 VanDerWaalsContact O-CD 3.3Å; N96-P98 WeakPolarHBondContact O-CD 3.1Å |
| 97 | F | 49.4 | Very low | 48.1 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | | | trans | -70.1 | 117.1 | 165.6 | -83.9 | -85.2 | 0 | 0 | 0 | 104.8 | M95 S99 | M95-F97 WeakPolarHBondContact O-CD2 3.25Å; M95-F97 PolarHBondContact O-N 3.46Å; F97-S99 PolarHBondContact O-N 2.74Å; F97-S99 VanDerWaalsContact O-N 3.08Å |
| 98 | P | 52.2 | Low | 48.3 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | | | trans | -56.6 | 124.5 | 166.3 | 25.1 | -29.7 | 0 | 0 | 0 | 105.4 | N96 L100 | N96-P98 VanDerWaalsContact O-CD 3.3Å; N96-P98 WeakPolarHBondContact O-CD 3.1Å; P98-L100 PolarHBondContact O-N 3.04Å |
| 99 | S | 53.3 | Low | 48.6 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 46% | 0.455 | 68% | 0.679 | S | S | . | * | | | trans | -56.2 | 104.9 | -180 | 171 | 0 | 0 | 0 | 0 | 108.1 | F97 F101 S102 | F97-S99 PolarHBondContact O-N 2.74Å; F97-S99 VanDerWaalsContact O-N 3.08Å; S99-F101 PolarHBondContact O-N 2.84Å; S99-F101 PolarHBondContact OG-N 2.83Å; S99-S102 WeakPolarHBondContact CB-OG 3.45Å; S99-S102 PolarHBondContact O-N 3.06Å; S99-S102 VanDerWaalsContact O-N 3.09Å; S99-S102 VanDerWaalsContact OG-CB 3.3Å; S99-S102 WeakPolarHBondContact OG-CB 3.3Å; S99-S102 PolarHBondContact OG-N 3.03Å; S99-S102 PolarHBondContact OG-OG 2.81Å |
| 100 | L | 54.6 | Low | 48.9 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -5.7 | 177 | -66.8 | 172.4 | 0 | 0 | 0 | 111.9 | P98 | P98-L100 PolarHBondContact O-N 3.04Š|
| 101 | F | 50.3 | Low | 49.1 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | -0.3 | -178.9 | -64.1 | -78.7 | 0 | 0 | 0 | 114 | S99 F105 | S99-F101 PolarHBondContact O-N 2.84Å; S99-F101 PolarHBondContact OG-N 2.83Å; F101-F105 WeakPolarHBondContact O-CD2 3.4Å |
| 102 | S | 48.2 | Very low | 49.6 | Very low | 79 Ų | 79 | 117.7 Ų | 117.7 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -31.4 | -178.4 | -71.7 | 0 | 0 | 0 | 0 | 113.8 | S99 | S99-S102 WeakPolarHBondContact CB-OG 3.45Å; S99-S102 PolarHBondContact O-N 3.06Å; S99-S102 VanDerWaalsContact O-N 3.09Å; S99-S102 VanDerWaalsContact OG-CB 3.3Å; S99-S102 WeakPolarHBondContact OG-CB 3.3Å; S99-S102 PolarHBondContact OG-N 3.03Å; S99-S102 PolarHBondContact OG-OG 2.81Å |
| 103 | E | 46.8 | Very low | 50.3 | Low | 178 Ų | 178 | 123 Ų | 123 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -83.2 | -20.1 | 176.9 | -100.9 | 178.5 | 163 | 0 | 0 | 113.4 | | |
| 104 | S | 52 | Low | 50.7 | Low | 57 Ų | 57 | 127.3 Ų | 127.3 | 40% | 0.399 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -86.3 | -10 | -174.8 | 48.2 | 0 | 0 | 0 | 0 | 114.3 | V108 | S104-V108 VanDerWaalsContact O-CG2 3.25Å; S104-V108 WeakPolarHBondContact O-CG2 3.3Å |
| 105 | F | 48.2 | Very low | 51.3 | Low | 153 Ų | 153 | 123 Ų | 123 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -91 | -36.4 | 175.5 | -90.2 | -91 | 0 | 0 | 0 | 113.3 | F101 V108 | F101-F105 WeakPolarHBondContact O-CD2 3.4Å; F105-V108 PolarHBondContact O-N 3.05Å |
| 106 | D | 48 | Very low | 51.3 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 65% | 0.647 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.3 | -27.9 | 177.5 | -84.6 | -19.7 | 0 | 0 | 0 | 113.1 | V108 Q109 | D106-V108 PolarHBondContact O-N 3Å; D106-Q109 PolarHBondContact O-N 2.98Å |
| 107 | A | 49.1 | Very low | 51.5 | Low | 67 Ų | 67 | 117.5 Ų | 117.5 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.8 | -15 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 108 | V | 51.2 | Low | 51.8 | Low | 54 Ų | 54 | 115.3 Ų | 115.3 | 33% | 0.327 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -78.7 | -24.9 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | S104 F105 D106 N110 F123 | S104-V108 VanDerWaalsContact O-CG2 3.25Å; S104-V108 WeakPolarHBondContact O-CG2 3.3Å; F105-V108 PolarHBondContact O-N 3.05Å; D106-V108 PolarHBondContact O-N 3Å; V108-N110 VanDerWaalsContact C-N 3.33Å; V108-F123 HydrophobicContact CG1-CB 3.7Å; V108-F123 HydrophobicContact CG1-CG 4.47Å |
| 109 | Q | 52.4 | Low | 51.9 | Low | 159 Ų | 159 | 115.4 Ų | 115.4 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74 | -22.9 | 175.9 | -89.3 | -175.5 | -8 | 0 | 0 | 113.6 | D106 | D106-Q109 PolarHBondContact O-N 2.98Å |
| 110 | N | 51.5 | Low | 51.7 | Low | 134 Ų | 134 | 113.1 Ų | 113.1 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | | | trans | -117.8 | 77.3 | -178.9 | -71 | -35.2 | 0 | 0 | 0 | 110.5 | V108 S112 | V108-N110 VanDerWaalsContact C-N 3.33Å; N110-S112 VanDerWaalsContact C-N 3.26Å; N110-S112 PolarHBondContact O-N 2.94Å |
| 111 | C | 49 | Very low | 51.7 | Low | 66 Ų | 66 | 110.3 Ų | 110.3 | 45% | 0.446 | 60% | 0.603 | S | S | . | * | | | trans | -61.8 | 93.2 | 163.3 | -89.7 | 0 | 0 | 0 | 0 | 109.5 | C120 | C111-C120 HydrophobicContact CB-CB 4.13Å; C111-C120 WeakPolarHBondContact CB-SG 3.34Å; C111-C120 WeakPolarHBondContact SG-CB 3.25Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 2.65Å |
| 112 | S | 54.1 | Low | 51.9 | Low | 80 Ų | 80 | 113 Ų | 113 | 56% | 0.559 | 61% | 0.609 | S | S | * | * | | | trans | -54.5 | 135.2 | 166.6 | 167 | 0 | 0 | 0 | 0 | 109.4 | N110 K114 T115 | N110-S112 VanDerWaalsContact C-N 3.26Å; N110-S112 PolarHBondContact O-N 2.94Å; S112-K114 PolarHBondContact O-N 3.23Å; S112-T115 PolarHBondContact O-N 2.69Å; S112-T115 VanDerWaalsContact O-N 3.16Å; S112-T115 PolarHBondContact O-OG1 3.32Å; S112-T115 VanDerWaalsContact O-OG1 3.11Å |
| 113 | E | 57.2 | Low | 52.3 | Low | 201 Ų | 201 | 115.7 Ų | 115.7 | 94% | 0.939 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -2.1 | -172.3 | -66.3 | 177 | 149.6 | 0 | 0 | 116.3 | | |
| 114 | K | 57.7 | Low | 52.4 | Low | 199 Ų | 199 | 113.1 Ų | 113.1 | 87% | 0.865 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -5.1 | -177.4 | -66.7 | -178 | 180 | 176.7 | 0 | 114.8 | S112 | S112-K114 PolarHBondContact O-N 3.23Š|
| 115 | T | 53.2 | Low | 52.4 | Low | 81 Ų | 81 | 114.4 Ų | 114.4 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -95 | 128.2 | 176.9 | 44.7 | 0 | 0 | 0 | 0 | 111 | S112 A117 | S112-T115 PolarHBondContact O-N 2.69Å; S112-T115 VanDerWaalsContact O-N 3.16Å; S112-T115 PolarHBondContact O-OG1 3.32Å; S112-T115 VanDerWaalsContact O-OG1 3.11Å; T115-A117 PolarHBondContact O-N 3.3Å; T115-A117 VanDerWaalsContact O-N 3.12Å |
| 116 | N | 49.8 | Very low | 52.2 | Low | 121 Ų | 121 | 112.6 Ų | 112.6 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | | | trans | -35.2 | 115.2 | 177.7 | -117.8 | -41.4 | 0 | 0 | 0 | 111.4 | N118 L119 C120 | N116-N118 PolarHBondContact O-N 3.31Å; N116-L119 HydrophobicContact CB-CD1 4.13Å; N116-L119 PolarHBondContact O-N 2.84Å; N116-C120 PolarHBondContact O-N 3.35Å |
| 117 | A | 52.6 | Low | 52.3 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -52.2 | -25.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | T115 S121 | T115-A117 PolarHBondContact O-N 3.3Å; T115-A117 VanDerWaalsContact O-N 3.12Å; A117-S121 PolarHBondContact O-N 3.16Å; A117-S121 VanDerWaalsContact O-N 3.16Å |
| 118 | N | 56.4 | Low | 52.4 | Low | 128 Ų | 128 | 120.8 Ų | 120.8 | 68% | 0.684 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.6 | -24.6 | 177.8 | -138.7 | -15.4 | 0 | 0 | 0 | 113.9 | N116 | N116-N118 PolarHBondContact O-N 3.31Å |
| 119 | L | 54.3 | Low | 52.1 | Low | 102 Ų | 102 | 123.7 Ų | 123.7 | 53% | 0.534 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -81.9 | -40.6 | 173.3 | -78.4 | 162.6 | 0 | 0 | 0 | 111.4 | N116 S121 R122 F123 | N116-L119 HydrophobicContact CB-CD1 4.13Å; N116-L119 PolarHBondContact O-N 2.84Å; L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 PolarHBondContact O-N 2.98Å; L119-R122 PolarHBondContact O-N 3.24Å; L119-R122 VanDerWaalsContact O-N 3.16Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å |
| 120 | C | 49.2 | Very low | 52.3 | Low | 17 Ų | 17 | 123.3 Ų | 123.3 | 12% | 0.115 | 66% | 0.655 | C | S | . | * | H | α-helix | trans | -62.4 | -33.5 | 176.1 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | C111 N116 R122 F123 N124 | C111-C120 HydrophobicContact CB-CB 4.13Å; C111-C120 WeakPolarHBondContact CB-SG 3.34Å; C111-C120 WeakPolarHBondContact SG-CB 3.25Å; C111-C120 CovalentContact SG-SG 2.03Å; C111-C120 PolarHBondContact SG-SG 2.65Å; N116-C120 PolarHBondContact O-N 3.35Å; C120-R122 PolarHBondContact O-N 3.08Å; C120-F123 PolarHBondContact O-N 3.37Å; C120-N124 PolarHBondContact O-N 3.48Å; C120-N124 VanDerWaalsContact O-N 3.13Å |
| 121 | S | 55.5 | Low | 52.2 | Low | 82 Ų | 82 | 124.7 Ų | 124.7 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.2 | -30.2 | 175.8 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | A117 L119 F123 | A117-S121 PolarHBondContact O-N 3.16Å; A117-S121 VanDerWaalsContact O-N 3.16Å; L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 PolarHBondContact O-N 2.98Å; S121-F123 VanDerWaalsContact C-N 3.33Å; S121-F123 PolarHBondContact O-N 2.98Å |
| 122 | R | 54.7 | Low | 52.1 | Low | 210 Ų | 210 | 129 Ų | 129 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.4 | -18.5 | 179.8 | -75.9 | -176.7 | 158.6 | -170.8 | -5.3 | 114.2 | L119 C120 | L119-R122 PolarHBondContact O-N 3.24Å; L119-R122 VanDerWaalsContact O-N 3.16Å; C120-R122 PolarHBondContact O-N 3.08Å |
| 123 | F | 56.1 | Low | 51.7 | Low | 136 Ų | 136 | 130.8 Ų | 130.8 | 60% | 0.596 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -110 | -6.9 | -179.8 | -65.6 | -80.1 | 0 | 0 | 0 | 113.6 | V108 L119 C120 S121 A125 | V108-F123 HydrophobicContact CG1-CB 3.7Å; V108-F123 HydrophobicContact CG1-CG 4.47Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å; C120-F123 PolarHBondContact O-N 3.37Å; S121-F123 VanDerWaalsContact C-N 3.33Å; S121-F123 PolarHBondContact O-N 2.98Å; F123-A125 PolarHBondContact O-N 3.07Å |
| 124 | N | 48.5 | Very low | 50.7 | Low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | | | trans | -75.2 | 64.6 | 168.6 | -85.4 | -20.4 | 0 | 0 | 0 | 111 | C120 | C120-N124 PolarHBondContact O-N 3.48Å; C120-N124 VanDerWaalsContact O-N 3.13Å |
| 125 | A | 50.9 | Low | 50.1 | Low | 85 Ų | 85 | 123.7 Ų | 123.7 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | | | trans | -96.2 | 110.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | F123 | F123-A125 PolarHBondContact O-N 3.07Š|
| 126 | C | 45.2 | Very low | 49.7 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | | | trans | 66.1 | 89.1 | 168.5 | -62.9 | 0 | 0 | 0 | 0 | 117.1 | I128 | C126-I128 PolarHBondContact O-N 2.7Š|
| 127 | R | 50.2 | Low | 49.5 | Very low | 225 Ų | 225 | 130.2 Ų | 130.2 | 85% | 0.849 | 70% | 0.702 | S | S | * | * | | | trans | -70.7 | 106.7 | 141.8 | -75.6 | -159.5 | 176.6 | -160.3 | -0.8 | 107.5 | N129 | R127-N129 PolarHBondContact O-N 3.14Š|
| 128 | I | 51.1 | Low | 49.1 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 70% | 0.697 | 70% | 0.703 | S | S | * | * | | | trans | -72.8 | 104.1 | 162.6 | -60.8 | 171 | 0 | 0 | 0 | 104.5 | C126 D130 | C126-I128 PolarHBondContact O-N 2.7Å; I128-D130 PolarHBondContact O-N 2.82Å |
| 129 | N | 44.9 | Very low | 48.6 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | | | trans | -74.1 | 112.4 | 166.4 | -74.1 | -32.5 | 0 | 0 | 0 | 106.4 | R127 D131 | R127-N129 PolarHBondContact O-N 3.14Å; N129-D131 PolarHBondContact O-N 2.82Å |
| 130 | D | 55.4 | Low | 48.4 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -4.1 | 179.9 | -74.2 | -47.6 | 0 | 0 | 0 | 114 | I128 | I128-D130 PolarHBondContact O-N 2.82Š|
| 131 | D | 51.1 | Low | 48.6 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 11 | -173.9 | -75 | -40.7 | 0 | 0 | 0 | 115.2 | N129 | N129-D131 PolarHBondContact O-N 2.82Š|
| 132 | Q | 46.3 | Very low | 49.2 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -106.7 | 119.5 | 179.8 | -145.2 | 177.9 | 1.7 | 0 | 0 | 112.4 | N134 | Q132-N134 PolarHBondContact O-N 3.16Š|
| 133 | P | 44.9 | Very low | 49.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | | | trans | -66.4 | 133.1 | -177.9 | 27.1 | -32.9 | 0 | 0 | 0 | 110.3 | A135 | P133-A135 PolarHBondContact O-N 3.02Š|
| 134 | N | 37.9 | Very low | 50.5 | Low | 163 Ų | 163 | 125.8 Ų | 125.8 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | | | trans | -37.2 | 105.3 | 177.6 | -82.6 | -35.2 | 0 | 0 | 0 | 112.4 | Q132 E136 | Q132-N134 PolarHBondContact O-N 3.16Å; N134-E136 PolarHBondContact O-N 2.88Å |
| 135 | A | 45.1 | Very low | 51.5 | Low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | | | trans | -76.5 | 101.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | P133 | P133-A135 PolarHBondContact O-N 3.02Š|
| 136 | E | 44.7 | Very low | 52.6 | Low | 177 Ų | 177 | 128.6 Ų | 128.6 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | 143.7 | 161.9 | -61.1 | -178.7 | 133.3 | 0 | 0 | 108.8 | N134 | N134-E136 PolarHBondContact O-N 2.88Š|
| 137 | D | 43.8 | Very low | 53.9 | Low | 161 Ų | 161 | 127.5 Ų | 127.5 | 86% | 0.861 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.6 | 23 | 172.7 | -58.3 | -24.9 | 0 | 0 | 0 | 121.2 | | |
| 138 | Q | 44 | Very low | 54.9 | Low | 151 Ų | 151 | 121 Ų | 121 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | | | trans | -126.1 | 88.6 | 157.9 | -72.5 | -175.4 | 52.4 | 0 | 0 | 111.6 | N140 | Q138-N140 PolarHBondContact O-N 2.97Š|
| 139 | S | 47.6 | Very low | 56 | Low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | | | trans | -69.7 | 69.9 | 165.3 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | S141 R148 | S139-S141 PolarHBondContact O-N 3.15Å; S139-R148 PolarHBondContact O-NH2 3.27Å |
| 140 | N | 50.4 | Low | 57.5 | Low | 130 Ų | 130 | 124 Ų | 124 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | | | trans | -71.5 | 67.8 | 162.8 | -70.2 | -28.2 | 0 | 0 | 0 | 107.9 | Q138 S142 | Q138-N140 PolarHBondContact O-N 2.97Å; N140-S142 PolarHBondContact O-N 3.36Å; N140-S142 VanDerWaalsContact O-N 3.12Å |
| 141 | S | 53.3 | Low | 58.4 | Low | 40 Ų | 40 | 121.2 Ų | 121.2 | 28% | 0.28 | 65% | 0.653 | S | S | . | * | | | trans | -68.3 | 116.3 | 174.5 | 105.1 | 0 | 0 | 0 | 0 | 107.4 | S139 T143 R148 | S139-S141 PolarHBondContact O-N 3.15Å; S141-T143 VanDerWaalsContact CB-OG1 3.25Å; S141-T143 WeakPolarHBondContact CB-OG1 3.45Å; S141-T143 PolarHBondContact O-N 3.41Å; S141-T143 PolarHBondContact OG-OG1 2.98Å; S141-R148 PolarHBondContact O-NH1 3.09Å; S141-R148 WeakPolarHBondContact OG-CD 3.46Å; S141-R148 PolarHBondContact OG-NE 2.97Å; S141-R148 PolarHBondContact OG-NH1 2.82Å; S141-R148 PolarHBondContact OG-NH2 2.9Å |
| 142 | S | 66.3 | Low | 59.4 | Low | 127 Ų | 127 | 119.7 Ų | 119.7 | 89% | 0.888 | 64% | 0.644 | S | S | * | * | | | trans | -66.2 | 5.9 | 171 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | N140 | N140-S142 PolarHBondContact O-N 3.36Å; N140-S142 VanDerWaalsContact O-N 3.12Å |
| 143 | T | 63.8 | Low | 60.5 | Low | 41 Ų | 41 | 115.9 Ų | 115.9 | 25% | 0.252 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -71.3 | 126.2 | 180 | -1.4 | 0 | 0 | 0 | 0 | 109.6 | S141 L147 | S141-T143 VanDerWaalsContact CB-OG1 3.25Å; S141-T143 WeakPolarHBondContact CB-OG1 3.45Å; S141-T143 PolarHBondContact O-N 3.41Å; S141-T143 PolarHBondContact OG-OG1 2.98Å; T143-L147 HydrophobicContact CG2-CB 3.93Å; T143-L147 HydrophobicContact CG2-CD2 3.42Å; T143-L147 VanDerWaalsContact CG2-CD2 3.42Å; T143-L147 HydrophobicContact CG2-CG 4.28Å |
| 144 | P | 74.7 | Confident | 61.4 | Low | 77 Ų | 77 | 115.4 Ų | 115.4 | 50% | 0.5 | 62% | 0.623 | S | S | . | * | | | trans | -50.5 | 143.4 | 174.3 | -25.6 | 32.7 | 0 | 0 | 0 | 110.4 | M146 L147 R148 | P144-M146 PolarHBondContact O-N 3.19Å; P144-L147 WeakPolarHBondContact O-CA 3.5Å; P144-L147 WeakPolarHBondContact O-CB 3.27Å; P144-L147 PolarHBondContact O-N 2.76Å; P144-R148 PolarHBondContact O-N 2.8Å |
| 145 | P | 70 | Confident | 62.1 | Low | 106 Ų | 106 | 114.3 Ų | 114.3 | 69% | 0.688 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -52.7 | -32.2 | -174.9 | -25.7 | 31.3 | 0 | 0 | 0 | 113.7 | R149 | P145-R149 WeakPolarHBondContact O-CB 3.45Å; P145-R149 WeakPolarHBondContact O-CG 3.4Å; P145-R149 PolarHBondContact O-N 3.06Å |
| 146 | M | 73.7 | Confident | 62.6 | Low | 162 Ų | 162 | 117.9 Ų | 117.9 | 80% | 0.798 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.6 | -42.3 | 175.5 | -169.3 | -167.7 | -63.2 | 0 | 0 | 112.4 | P144 F150 | P144-M146 PolarHBondContact O-N 3.19Å; M146-F150 WeakPolarHBondContact O-CB 3.36Å; M146-F150 PolarHBondContact O-N 3.27Å |
| 147 | L | 73.1 | Confident | 62.7 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.5 | -37.8 | 178.8 | -138.2 | 107.1 | 0 | 0 | 0 | 110.8 | T143 P144 F150 L151 | T143-L147 HydrophobicContact CG2-CB 3.93Å; T143-L147 HydrophobicContact CG2-CD2 3.42Å; T143-L147 VanDerWaalsContact CG2-CD2 3.42Å; T143-L147 HydrophobicContact CG2-CG 4.28Å; P144-L147 WeakPolarHBondContact O-CA 3.5Å; P144-L147 WeakPolarHBondContact O-CB 3.27Å; P144-L147 PolarHBondContact O-N 2.76Å; L147-F150 PolarHBondContact O-N 3.11Å; L147-L151 HydrophobicContact CD2-CD1 4.17Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.04Å |
| 148 | R | 71.5 | Confident | 62.7 | Low | 90 Ų | 90 | 117.4 Ų | 117.4 | 34% | 0.34 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -58.9 | -51.9 | 174 | -123.8 | 176.1 | 168.9 | 153.4 | 0.4 | 111.1 | S139 S141 P144 F150 L151 D152 | S139-R148 PolarHBondContact O-NH2 3.27Å; S141-R148 PolarHBondContact O-NH1 3.09Å; S141-R148 WeakPolarHBondContact OG-CD 3.46Å; S141-R148 PolarHBondContact OG-NE 2.97Å; S141-R148 PolarHBondContact OG-NH1 2.82Å; S141-R148 PolarHBondContact OG-NH2 2.9Å; P144-R148 PolarHBondContact O-N 2.8Å; R148-F150 VanDerWaalsContact C-N 3.31Å; R148-F150 PolarHBondContact O-N 3.07Å; R148-L151 PolarHBondContact O-N 3.4Å; R148-D152 WeakPolarHBondContact O-CB 3.29Å; R148-D152 VanDerWaalsContact O-CG 3.25Å; R148-D152 PolarHBondContact O-N 3.35Å |
| 149 | R | 74 | Confident | 62.8 | Low | 191 Ų | 191 | 115.3 Ų | 115.3 | 72% | 0.721 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.1 | -39.5 | 175.2 | -75.9 | 178.8 | 161.6 | -161 | -6.8 | 113.2 | P145 S153 | P145-R149 WeakPolarHBondContact O-CB 3.45Å; P145-R149 WeakPolarHBondContact O-CG 3.4Å; P145-R149 PolarHBondContact O-N 3.06Å; R149-S153 VanDerWaalsContact O-CB 3.27Å; R149-S153 WeakPolarHBondContact O-CB 3.49Å; R149-S153 PolarHBondContact O-N 3.09Å; R149-S153 PolarHBondContact O-OG 3.21Å |
| 150 | F | 76.4 | Confident | 62.7 | Low | 122 Ų | 122 | 116.6 Ų | 116.6 | 54% | 0.535 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.3 | -46.6 | 177.4 | 178.5 | -99.1 | 0 | 0 | 0 | 111.5 | M146 L147 R148 S153 Q154 | M146-F150 WeakPolarHBondContact O-CB 3.36Å; M146-F150 PolarHBondContact O-N 3.27Å; L147-F150 PolarHBondContact O-N 3.11Å; R148-F150 VanDerWaalsContact C-N 3.31Å; R148-F150 PolarHBondContact O-N 3.07Å; F150-S153 PolarHBondContact O-N 2.86Å; F150-S153 PolarHBondContact O-OG 2.74Å; F150-Q154 PolarHBondContact O-N 3.08Å |
| 151 | L | 74.5 | Confident | 62.3 | Low | 92 Ų | 92 | 117.3 Ų | 117.3 | 48% | 0.482 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.5 | -40.1 | 178.8 | -66.6 | 172.5 | 0 | 0 | 0 | 112.1 | L147 R148 S153 Q154 | L147-L151 HydrophobicContact CD2-CD1 4.17Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.04Å; R148-L151 PolarHBondContact O-N 3.4Å; L151-S153 PolarHBondContact O-N 3.05Å; L151-Q154 WeakPolarHBondContact O-CB 3.23Å; L151-Q154 PolarHBondContact O-N 2.82Å; L151-Q154 VanDerWaalsContact O-N 3.08Å |
| 152 | D | 71.4 | Confident | 62.1 | Low | 130 Ų | 130 | 119.6 Ų | 119.6 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.5 | -27.2 | 175.6 | -69.3 | -23.5 | 0 | 0 | 0 | 112.1 | R148 Q154 | R148-D152 WeakPolarHBondContact O-CB 3.29Å; R148-D152 VanDerWaalsContact O-CG 3.25Å; R148-D152 PolarHBondContact O-N 3.35Å; D152-Q154 VanDerWaalsContact C-N 3.3Å |
| 153 | S | 68.8 | Low | 61.2 | Low | 79 Ų | 79 | 121.7 Ų | 121.7 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -8.9 | 173.8 | 73.8 | 0 | 0 | 0 | 0 | 114 | R149 F150 L151 D155 | R149-S153 VanDerWaalsContact O-CB 3.27Å; R149-S153 WeakPolarHBondContact O-CB 3.49Å; R149-S153 PolarHBondContact O-N 3.09Å; R149-S153 PolarHBondContact O-OG 3.21Å; F150-S153 PolarHBondContact O-N 2.86Å; F150-S153 PolarHBondContact O-OG 2.74Å; L151-S153 PolarHBondContact O-N 3.05Å; S153-D155 VanDerWaalsContact C-N 3.34Å; S153-D155 PolarHBondContact O-N 3.16Å; S153-D155 VanDerWaalsContact O-N 3.09Å |
| 154 | Q | 65.2 | Low | 60.2 | Low | 106 Ų | 106 | 125 Ų | 125 | 50% | 0.495 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -78 | 92.4 | 168.1 | -62 | -67.9 | -57.5 | 0 | 0 | 107 | F150 L151 D152 N156 | F150-Q154 PolarHBondContact O-N 3.08Å; L151-Q154 WeakPolarHBondContact O-CB 3.23Å; L151-Q154 PolarHBondContact O-N 2.82Å; L151-Q154 VanDerWaalsContact O-N 3.08Å; D152-Q154 VanDerWaalsContact C-N 3.3Å; Q154-N156 PolarHBondContact O-N 3Å; Q154-N156 VanDerWaalsContact O-N 3.16Å |
| 155 | D | 51.9 | Low | 59.2 | Low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | | | trans | -46.1 | 127 | 164.9 | -88 | -41 | 0 | 0 | 0 | 108.3 | S153 S157 | S153-D155 VanDerWaalsContact C-N 3.34Å; S153-D155 PolarHBondContact O-N 3.16Å; S153-D155 VanDerWaalsContact O-N 3.09Å; D155-S157 PolarHBondContact O-N 2.72Å; D155-S157 PolarHBondContact O-OG 2.89Å |
| 156 | N | 54.8 | Low | 58.4 | Low | 164 Ų | 164 | 128.6 Ų | 128.6 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | | | trans | -60.4 | 26.2 | 179.4 | -75.5 | -55.7 | 0 | 0 | 0 | 114.3 | Q154 R158 | Q154-N156 PolarHBondContact O-N 3Å; Q154-N156 VanDerWaalsContact O-N 3.16Å; N156-R158 PolarHBondContact O-N 3.5Å |
| 157 | S | 48.5 | Very low | 57.6 | Low | 84 Ų | 84 | 126.7 Ų | 126.7 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | | | trans | -66.3 | 83.1 | 162.4 | 69.9 | 0 | 0 | 0 | 0 | 108.9 | D155 T159 | D155-S157 PolarHBondContact O-N 2.72Å; D155-S157 PolarHBondContact O-OG 2.89Å; S157-T159 PolarHBondContact O-N 3.01Å; S157-T159 PolarHBondContact O-OG1 3.15Å; S157-T159 VanDerWaalsContact O-OG1 3.14Å |
| 158 | R | 42.9 | Very low | 56.6 | Low | 243 Ų | 243 | 127.5 Ų | 127.5 | 92% | 0.917 | 69% | 0.685 | S | S | * | * | | | trans | -40.9 | 85.3 | 144 | -77.9 | 172.5 | 152.6 | 161.2 | -5.9 | 108.2 | N156 | N156-R158 PolarHBondContact O-N 3.5Š|
| 159 | T | 46.2 | Very low | 55.7 | Low | 108 Ų | 108 | 133.5 Ų | 133.5 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | | | trans | -94.5 | 97.2 | 167.6 | 19.8 | 0 | 0 | 0 | 0 | 105.2 | S157 C161 | S157-T159 PolarHBondContact O-N 3.01Å; S157-T159 PolarHBondContact O-OG1 3.15Å; S157-T159 VanDerWaalsContact O-OG1 3.14Å; T159-C161 PolarHBondContact O-N 3.11Å |
| 160 | D | 44.5 | Very low | 55 | Low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | | | trans | 10 | 89.3 | 152 | -69.1 | -61.3 | 0 | 0 | 0 | 114.7 | S162 | D160-S162 PolarHBondContact O-N 2.85Š|
| 161 | C | 43.6 | Very low | 53.8 | Low | 145 Ų | 145 | 134 Ų | 134 | 98% | 0.98 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -71.7 | 42.8 | 165.9 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | T159 | T159-C161 PolarHBondContact O-N 3.11Š|
| 162 | S | 48.6 | Very low | 52.7 | Low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | | | trans | -136.8 | 54.4 | -178.2 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | D160 | D160-S162 PolarHBondContact O-N 2.85Š|
| 163 | Q | 46.3 | Very low | 51.6 | Low | 172 Ų | 172 | 139.4 Ų | 139.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -128.6 | 87.8 | 159.7 | -67.5 | -162.9 | 19.8 | 0 | 0 | 108.9 | L165 | Q163-L165 PolarHBondContact O-N 2.91Š|
| 164 | S | 43.9 | Very low | 50.8 | Low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | 18.6 | 96.2 | 148.2 | 59 | 0 | 0 | 0 | 0 | 115.7 | | |
| 165 | L | 52.6 | Low | 50 | Low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | -58.9 | 129.5 | 157.2 | -77.1 | 160.6 | 0 | 0 | 0 | 108 | Q163 | Q163-L165 PolarHBondContact O-N 2.91Š|
| 166 | P | 54.9 | Low | 49.9 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | trans | -60.2 | 144.8 | 168.9 | 26.9 | -31.7 | 0 | 0 | 0 | 108 | V168 | P166-V168 PolarHBondContact O-N 2.86Š|
| 167 | P | 55.4 | Low | 49.6 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | | | trans | -57.7 | 112.3 | -177 | 22.3 | -31.2 | 0 | 0 | 0 | 108.8 | R169 | P167-R169 PolarHBondContact O-N 3.23Š|
| 168 | V | 53.5 | Low | 49.7 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 66% | 0.655 | 76% | 0.76 | S | S | * | * | | | trans | -62.6 | 94.7 | 166.7 | 177.9 | 0 | 0 | 0 | 0 | 105.3 | P166 F170 | P166-V168 PolarHBondContact O-N 2.86Å; V168-F170 VanDerWaalsContact C-N 3.34Å; V168-F170 PolarHBondContact O-N 3.05Å |
| 169 | R | 51.9 | Low | 49.8 | Very low | 216 Ų | 216 | 136.3 Ų | 136.3 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -63.1 | 103.3 | 165.8 | -85.3 | -175.9 | 157.4 | 149.8 | -3.6 | 105.7 | P167 Q171 | P167-R169 PolarHBondContact O-N 3.23Å; R169-Q171 VanDerWaalsContact C-N 3.25Å; R169-Q171 PolarHBondContact O-N 2.99Å |
| 170 | F | 58.9 | Low | 49.9 | Very low | 174 Ų | 174 | 140 Ų | 140 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -59.2 | 97.3 | 162 | -69.4 | -83.8 | 0 | 0 | 0 | 106.9 | V168 T172 | V168-F170 VanDerWaalsContact C-N 3.34Å; V168-F170 PolarHBondContact O-N 3.05Å; F170-T172 PolarHBondContact O-N 2.79Å |
| 171 | Q | 51.1 | Low | 50.1 | Low | 150 Ų | 150 | 140.7 Ų | 140.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -76.1 | 81.4 | 168.3 | -152.3 | 102.8 | 45 | 0 | 0 | 106 | R169 W173 | R169-Q171 VanDerWaalsContact C-N 3.25Å; R169-Q171 PolarHBondContact O-N 2.99Å; Q171-W173 PolarHBondContact O-N 3.17Å |
| 172 | T | 50.8 | Low | 50.5 | Low | 113 Ų | 113 | 140.5 Ų | 140.5 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | | | trans | -66.6 | 103.1 | 165.3 | 46.3 | 0 | 0 | 0 | 0 | 106.7 | F170 V174 | F170-T172 PolarHBondContact O-N 2.79Å; T172-V174 PolarHBondContact O-N 2.81Å; T172-V174 VanDerWaalsContact O-N 3.11Å |
| 173 | W | 49.3 | Very low | 50.6 | Low | 221 Ų | 221 | 143.4 Ų | 143.4 | 84% | 0.837 | 80% | 0.796 | S | S | * | * | | | trans | -64.1 | 108.6 | 165.2 | -67.1 | 82.9 | 0 | 0 | 0 | 106.7 | Q171 D175 | Q171-W173 PolarHBondContact O-N 3.17Å; W173-D175 PolarHBondContact O-N 3.18Å |
| 174 | V | 52.2 | Low | 50.8 | Low | 122 Ų | 122 | 141.8 Ų | 141.8 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | trans | -77.2 | 97.9 | 166 | 179.6 | 0 | 0 | 0 | 0 | 105.5 | T172 G176 | T172-V174 PolarHBondContact O-N 2.81Å; T172-V174 VanDerWaalsContact O-N 3.11Å; V174-G176 PolarHBondContact O-N 3.25Å; V174-G176 VanDerWaalsContact O-N 3.09Å |
| 175 | D | 48.4 | Very low | 51.2 | Low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 105.5 | 166.1 | -80.1 | -26.6 | 0 | 0 | 0 | 107.7 | W173 | W173-D175 PolarHBondContact O-N 3.18Š|
| 176 | G | 50.3 | Low | 51.2 | Low | 65 Ų | 65 | 142.7 Ų | 142.7 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.7 | 1.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | V174 | V174-G176 PolarHBondContact O-N 3.25Å; V174-G176 VanDerWaalsContact O-N 3.09Å |
| 177 | S | 47.8 | Very low | 50.9 | Low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -112.8 | 110.6 | -179.4 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | L179 | S177-L179 PolarHBondContact O-N 2.83Š|
| 178 | P | 50.3 | Low | 50.5 | Low | 124 Ų | 124 | 147.7 Ų | 147.7 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | | | trans | -71.1 | 118.7 | 166.3 | 29.6 | -29 | 0 | 0 | 0 | 107.9 | S180 | P178-S180 PolarHBondContact O-N 3.12Å; P178-S180 VanDerWaalsContact O-N 3.16Å |
| 179 | L | 45 | Very low | 50.3 | Low | 174 Ų | 174 | 151 Ų | 151 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | | | trans | -71.2 | 106.3 | 163.6 | -72 | 167.8 | 0 | 0 | 0 | 107.1 | S177 | S177-L179 PolarHBondContact O-N 2.83Š|
| 180 | S | 47.8 | Very low | 50.2 | Low | 187 Ų | 187 | 145.1 Ų | 145.1 | 100% | 1.308 | 82% | 0.82 | S | S | * | * | | | trans | -65.6 | 0 | 157.8 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | P178 | P178-S180 PolarHBondContact O-N 3.12Å; P178-S180 VanDerWaalsContact O-N 3.16Å |