| 1 | M | 47.7 | Very low | 48.9 | Very low | 253 Ų | 253 | 160.5 Ų | 160.5 | 100% | 1.246 | 85% | 0.85 | S | S | * | * | | | | 0 | 108.4 | 0 | -70.6 | -152.7 | 174.9 | 0 | 0 | 109.5 | | |
| 2 | G | 44.9 | Very low | 48.5 | Very low | 80 Ų | 80 | 165.4 Ų | 165.4 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | | | trans | -128.9 | 90.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 3 | R | 46.5 | Very low | 48.3 | Very low | 201 Ų | 201 | 164.9 Ų | 164.9 | 76% | 0.758 | 84% | 0.84 | S | S | * | * | | | trans | 22.9 | 98.3 | 156.2 | -74.8 | 175.8 | 171.8 | -178.6 | -1.4 | 118.7 | | |
| 4 | S | 47.3 | Very low | 47.6 | Very low | 125 Ų | 125 | 167.1 Ų | 167.1 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | | | trans | -66.4 | 120.9 | 146.1 | 39.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 5 | R | 49.1 | Very low | 47.5 | Very low | 190 Ų | 190 | 170.1 Ų | 170.1 | 72% | 0.717 | 83% | 0.831 | S | S | * | * | | | trans | -134 | 105.5 | 165.1 | -78.4 | -176.1 | 176 | 162.2 | -4.8 | 109.7 | | |
| 6 | S | 50 | Low | 46.9 | Very low | 114 Ų | 114 | 172.8 Ų | 172.8 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | | | trans | -61.3 | 145.6 | 170.1 | 42 | 0 | 0 | 0 | 0 | 112.3 | | |
| 7 | R | 45.6 | Very low | 46.7 | Very low | 250 Ų | 250 | 169.3 Ų | 169.3 | 94% | 0.943 | 83% | 0.827 | S | S | * | * | | | trans | -152.5 | 94.1 | 159.6 | -128.3 | 164.6 | -176 | 168.1 | -0.4 | 109.6 | | |
| 8 | S | 48.9 | Very low | 46.4 | Very low | 107 Ų | 107 | 172.9 Ų | 172.9 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | | | trans | -86.9 | 148.7 | 162 | -54.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 9 | P | 53.8 | Low | 46.3 | Very low | 122 Ų | 122 | 170.2 Ų | 170.2 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | | | | -145.6 | 160.8 | 61.6 | 34.4 | -13.7 | 0 | 0 | 0 | 116.4 | | |
| 10 | P | 57.1 | Low | 46.4 | Very low | 115 Ų | 115 | 164.3 Ų | 164.3 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | | | trans | -88 | 139.7 | 167.1 | 35.1 | -28.8 | 0 | 0 | 0 | 110.7 | | |
| 11 | K | 47 | Very low | 46.4 | Very low | 208 Ų | 208 | 161.2 Ų | 161.2 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | | | trans | 157.3 | 114.1 | 143.2 | -90.6 | 177.8 | -177.1 | -174 | 0 | 110.6 | | |
| 12 | R | 44.6 | Very low | 46.6 | Very low | 220 Ų | 220 | 160 Ų | 160 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | | -159.6 | 108.6 | 127.4 | -141.8 | 173.7 | -178.1 | -165.9 | 1 | 110.6 | R14 | R12-R14 PolarHBondContact O-N 3.32Š|
| 13 | E | 45.2 | Very low | 46.8 | Very low | 159 Ų | 159 | 162.3 Ų | 162.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -52.1 | 121 | 159.5 | -62.9 | -179.4 | 130.7 | 0 | 0 | 109.1 | | |
| 14 | R | 39.5 | Very low | 47.1 | Very low | 195 Ų | 195 | 162.9 Ų | 162.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -120.5 | 79.1 | 160.3 | -116.1 | -179.9 | -179.8 | 172.1 | 1 | 107.7 | R12 R16 | R12-R14 PolarHBondContact O-N 3.32Å; R14-R16 PolarHBondContact O-N 3.13Å |
| 15 | R | 45.5 | Very low | 47.3 | Very low | 213 Ų | 213 | 163 Ų | 163 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -57.9 | 104.9 | 158.5 | -65.6 | -177.1 | -177.9 | -168.7 | 0.6 | 107.5 | | |
| 16 | R | 37.8 | Very low | 47.5 | Very low | 213 Ų | 213 | 162.8 Ų | 162.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -128.4 | 83.1 | 160.7 | -98.4 | -175.3 | 177.7 | 171.4 | -1.5 | 107.8 | R14 R18 | R14-R16 PolarHBondContact O-N 3.13Å; R16-R18 PolarHBondContact O-N 3.42Å |
| 17 | S | 42.8 | Very low | 47.7 | Very low | 113 Ų | 113 | 165.4 Ų | 165.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -62.7 | 118.4 | 157.7 | 28.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 18 | R | 42.2 | Very low | 48.2 | Very low | 235 Ų | 235 | 163.1 Ų | 163.1 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | trans | -169.5 | 91.1 | 153.8 | -112.1 | 166.3 | 178.8 | 167.9 | -0.4 | 110.9 | R16 G20 | R16-R18 PolarHBondContact O-N 3.42Å; R18-G20 PolarHBondContact O-N 2.83Å |
| 19 | S | 44 | Very low | 48.3 | Very low | 121 Ų | 121 | 166.7 Ų | 166.7 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | 8.1 | 95 | 138.4 | 37.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 20 | G | 48.3 | Very low | 48.3 | Very low | 52 Ų | 52 | 167.1 Ų | 167.1 | 54% | 0.536 | 75% | 0.751 | S | S | . | * | | | trans | -124.1 | 5.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R18 | R18-G20 PolarHBondContact O-N 2.83Š|
| 21 | S | 47.8 | Very low | 48 | Very low | 100 Ų | 100 | 169.7 Ų | 169.7 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -93.7 | -13.7 | -171.2 | 24.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 22 | R | 50.2 | Low | 48.1 | Very low | 226 Ų | 226 | 166.4 Ų | 166.4 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -88.7 | -23.6 | -177.6 | -74.7 | -176.5 | 176.1 | 168.2 | -1.1 | 115.2 | | |
| 23 | D | 50.3 | Low | 48.2 | Very low | 129 Ų | 129 | 165.3 Ų | 165.3 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -78.8 | -28 | -178.9 | -93.5 | -54.5 | 0 | 0 | 0 | 114.2 | E25 | D23-E25 VanDerWaalsContact C-N 3.3Å; D23-E25 PolarHBondContact O-N 3.21Å |
| 24 | R | 52.2 | Low | 48.3 | Very low | 214 Ų | 214 | 161.4 Ų | 161.4 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.3 | -27.9 | 178.8 | -74.5 | -175.5 | -179.2 | 142.4 | 0 | 112.9 | | |
| 25 | E | 51.5 | Low | 48.7 | Very low | 128 Ų | 128 | 160.9 Ų | 160.9 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76.7 | -36.7 | 179.5 | -161.1 | 176.4 | -179.7 | 0 | 0 | 111.9 | D23 K27 R28 R29 | D23-E25 VanDerWaalsContact C-N 3.3Å; D23-E25 PolarHBondContact O-N 3.21Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 2.82Å; E25-R28 PolarHBondContact O-N 3.42Å; E25-R29 PolarHBondContact O-N 3.33Å |
| 26 | R | 54.1 | Low | 48.7 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -62.9 | -40.3 | 178.9 | -151.1 | 177.2 | -165.8 | -178.9 | 3.3 | 112.2 | R28 R29 E30 | R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 3.47Å; R26-R29 PolarHBondContact O-N 3.43Å; R26-E30 PolarHBondContact O-N 3.4Å |
| 27 | K | 54.3 | Low | 49.2 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 74% | 0.735 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -69 | -24.2 | -179.5 | -149.1 | 173.4 | -170.8 | 173.1 | 0 | 113.6 | E25 | E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 2.82Å |
| 28 | R | 54.3 | Low | 49.5 | Very low | 202 Ų | 202 | 157.2 Ų | 157.2 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -75.1 | -41.3 | 175.6 | -124 | -178.9 | -174.9 | -177.6 | 0.4 | 111.4 | E25 R26 E30 R31 | E25-R28 PolarHBondContact O-N 3.42Å; R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 3.47Å; R28-E30 PolarHBondContact O-N 3.47Å; R28-R31 PolarHBondContact O-N 2.95Å |
| 29 | R | 52.7 | Low | 49.7 | Very low | 182 Ų | 182 | 158 Ų | 158 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -65.4 | -34.2 | 179.5 | -101 | -179.9 | -179.7 | 146.1 | 1 | 114.2 | E25 R26 R31 R33 | E25-R29 PolarHBondContact O-N 3.33Å; R26-R29 PolarHBondContact O-N 3.43Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 3.47Å; R29-R33 PolarHBondContact O-N 2.86Å |
| 30 | E | 52.6 | Low | 49.7 | Very low | 131 Ų | 131 | 161.1 Ų | 161.1 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -70.2 | -29.3 | 177.8 | -74 | -177.4 | 176.2 | 0 | 0 | 113.2 | R26 R28 S34 | R26-E30 PolarHBondContact O-N 3.4Å; R28-E30 PolarHBondContact O-N 3.47Å; E30-S34 PolarHBondContact O-N 3.38Å; E30-S34 PolarHBondContact O-OG 3.19Å |
| 31 | R | 50.8 | Low | 49.4 | Very low | 170 Ų | 170 | 168.7 Ų | 168.7 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -76 | -24.2 | -179.8 | -158.8 | 171 | -162.9 | 174.4 | 5.2 | 113.4 | R28 R29 S34 | R28-R31 PolarHBondContact O-N 2.95Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 3.47Å; R31-S34 PolarHBondContact O-OG 3.46Å |
| 32 | E | 49.3 | Very low | 49 | Very low | 139 Ų | 139 | 173.9 Ų | 173.9 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -84.4 | -30.7 | 175 | -70.1 | -178.1 | 175.8 | 0 | 0 | 111.8 | S34 | E32-S34 VanDerWaalsContact C-N 3.33Å; E32-S34 PolarHBondContact O-N 2.82Å |
| 33 | R | 46.7 | Very low | 48.4 | Very low | 197 Ų | 197 | 173.6 Ų | 173.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -75.7 | -18 | -179.7 | -140.3 | 170.5 | -167.8 | 162.2 | 2.7 | 114.6 | R29 | R29-R33 PolarHBondContact O-N 2.86Å |
| 34 | S | 47.9 | Very low | 48 | Very low | 76 Ų | 76 | 173.4 Ų | 173.4 | 53% | 0.531 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | -9.7 | 179.1 | 41 | 0 | 0 | 0 | 0 | 114.1 | E30 R31 E32 | E30-S34 PolarHBondContact O-N 3.38Å; E30-S34 PolarHBondContact O-OG 3.19Å; R31-S34 PolarHBondContact O-OG 3.46Å; E32-S34 VanDerWaalsContact C-N 3.33Å; E32-S34 PolarHBondContact O-N 2.82Å |
| 35 | R | 48 | Very low | 47.3 | Very low | 185 Ų | 185 | 173.2 Ų | 173.2 | 70% | 0.698 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -92.6 | -7.9 | 178 | -77.2 | 179.8 | 174.3 | 149.2 | -5.8 | 114.7 | | |
| 36 | S | 45.7 | Very low | 47 | Very low | 102 Ų | 102 | 172.6 Ų | 172.6 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -111.2 | 7.9 | -170.4 | -47.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 37 | R | 47.7 | Very low | 46.2 | Very low | 206 Ų | 206 | 174.7 Ų | 174.7 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -119 | 0.5 | -175.2 | -88.9 | -177.6 | 176.3 | 173.6 | -2.8 | 117.2 | | |
| 38 | D | 48.5 | Very low | 45.6 | Very low | 153 Ų | 153 | 172.4 Ų | 172.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -117.8 | 33.4 | -177.7 | -81.9 | -62.9 | 0 | 0 | 0 | 114.3 | | |
| 39 | R | 46.5 | Very low | 45.3 | Very low | 251 Ų | 251 | 168.3 Ų | 168.3 | 95% | 0.947 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -106.4 | -0.5 | 173.7 | -95.2 | -176.2 | -176.9 | 151.7 | 0.4 | 115.7 | | |
| 40 | E | 45.1 | Very low | 44.9 | Very low | 188 Ų | 188 | 163.7 Ų | 163.7 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -130.1 | 32.2 | -169.3 | -148.8 | 172.4 | -154.5 | 0 | 0 | 114.8 | | |
| 41 | R | 41.3 | Very low | 44.5 | Very low | 210 Ų | 210 | 168.4 Ų | 168.4 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -139.1 | 86.1 | 173.3 | -138 | 171.4 | -172.3 | -173.7 | 1.8 | 114.5 | | |
| 42 | R | 40.5 | Very low | 44.1 | Very low | 209 Ų | 209 | 170.6 Ų | 170.6 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | | | trans | 62.1 | 107.5 | 135.7 | -56.7 | 177.9 | -177.9 | -167.2 | -3.4 | 117.1 | | |
| 43 | R | 37.3 | Very low | 43.7 | Very low | 221 Ų | 221 | 175 Ų | 175 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | | -167.4 | 86.2 | 127.7 | -118.1 | 164.5 | 172.6 | 145.3 | -4.1 | 112.9 | R45 | R43-R45 PolarHBondContact O-N 2.95Å; R43-R45 VanDerWaalsContact O-N 3.13Å |
| 44 | S | 41.1 | Very low | 43.2 | Very low | 124 Ų | 124 | 177.1 Ų | 177.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -56.1 | 101.9 | 141.7 | 32.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 45 | R | 37.9 | Very low | 43 | Very low | 211 Ų | 211 | 178.3 Ų | 178.3 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | | | trans | -159.2 | 101.3 | 158.7 | -141.6 | 151.1 | -176.6 | 156.9 | -3.5 | 111.5 | R43 R47 | R43-R45 PolarHBondContact O-N 2.95Å; R43-R45 VanDerWaalsContact O-N 3.13Å; R45-R47 PolarHBondContact O-N 3.4Å |
| 46 | S | 43.9 | Very low | 42.8 | Very low | 114 Ų | 114 | 181.4 Ų | 181.4 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | -50.7 | 115.4 | 161.2 | 31.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 47 | R | 38.6 | Very low | 42.6 | Very low | 228 Ų | 228 | 182.2 Ų | 182.2 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -169 | 105.4 | 154.8 | -142.9 | 90.8 | 176.8 | -166.1 | 0.5 | 110 | R45 | R45-R47 PolarHBondContact O-N 3.4Š|
| 48 | S | 40.5 | Very low | 42.7 | Very low | 121 Ų | 121 | 177.6 Ų | 177.6 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | | | trans | -65.6 | 141.1 | 154.6 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 49 | P | 49.7 | Very low | 42.7 | Very low | 117 Ų | 117 | 180.9 Ų | 180.9 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | trans | -133.4 | 136.4 | 134.5 | 14.3 | 6.9 | 0 | 0 | 0 | 112.7 | | |
| 50 | A | 43.9 | Very low | 42.5 | Very low | 85 Ų | 85 | 180.8 Ų | 180.8 | 70% | 0.702 | 83% | 0.827 | S | S | * | * | | | trans | -60.1 | 147.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 51 | R | 44.6 | Very low | 42.6 | Very low | 229 Ų | 229 | 179.4 Ų | 179.4 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | trans | 47.8 | 117.8 | 139.8 | -58.8 | 177.8 | -168.9 | -116.2 | 4.9 | 117.9 | | |
| 52 | R | 40.8 | Very low | 42.7 | Very low | 217 Ų | 217 | 180.6 Ų | 180.6 | 82% | 0.819 | 83% | 0.829 | S | S | * | * | | | | 174.3 | 112.4 | 111 | -90.9 | 160.2 | -169.7 | -116.6 | 4.5 | 111.4 | | |
| 53 | R | 41.3 | Very low | 42.8 | Very low | 231 Ų | 231 | 175 Ų | 175 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | | | | 67.5 | 108.1 | 114.4 | -64.2 | -172.4 | -179.6 | -167.5 | 1.4 | 116.8 | | |
| 54 | R | 37.1 | Very low | 43.5 | Very low | 241 Ų | 241 | 170.6 Ų | 170.6 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | -138.5 | 98.7 | 146.3 | -153.6 | 159.8 | -169 | 172.3 | 2.8 | 110.8 | | |
| 55 | S | 42.8 | Very low | 43.9 | Very low | 102 Ų | 102 | 169.7 Ų | 169.7 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | | | trans | 37.4 | 98.7 | 147.3 | 51.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 56 | R | 43.3 | Very low | 44.7 | Very low | 249 Ų | 249 | 163.2 Ų | 163.2 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | | | | 7.2 | 120.2 | 121.2 | -130 | 149.6 | -175.4 | 151.5 | -1.8 | 117.7 | | |
| 57 | S | 42.2 | Very low | 44.6 | Very low | 119 Ų | 119 | 162.9 Ų | 162.9 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | -156.3 | 155 | 143.3 | -100.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 58 | P | 49.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 157.9 Ų | 157.9 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | | | | -112.2 | 153.5 | -130 | 35.4 | -26.1 | 0 | 0 | 0 | 116.5 | | |
| 59 | R | 48.1 | Very low | 45.5 | Very low | 221 Ų | 221 | 157.1 Ų | 157.1 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | 38.2 | 101.3 | 147 | -62.2 | -177.9 | 179.4 | -172.2 | -0.4 | 117.9 | | |
| 60 | R | 43.3 | Very low | 45.4 | Very low | 249 Ų | 249 | 163.1 Ų | 163.1 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | | | trans | -107.6 | 93.9 | 139.6 | -78.1 | -175.3 | -179.8 | 171.1 | 0.2 | 108.6 | R62 | R60-R62 PolarHBondContact O-N 3.06Å; R60-R62 VanDerWaalsContact O-N 3.12Å |
| 61 | L | 47.2 | Very low | 45.7 | Very low | 160 Ų | 160 | 166.9 Ų | 166.9 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | trans | -69 | 97.3 | 161.9 | -71.8 | 165.3 | 0 | 0 | 0 | 106.7 | S63 | L61-S63 PolarHBondContact O-N 3Š|
| 62 | R | 42.4 | Very low | 45.9 | Very low | 234 Ų | 234 | 163.8 Ų | 163.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -95 | 93.4 | 168.7 | -156.1 | 172.8 | -169.7 | 176.7 | 2.1 | 107.4 | R60 | R60-R62 PolarHBondContact O-N 3.06Å; R60-R62 VanDerWaalsContact O-N 3.12Å |
| 63 | S | 44.3 | Very low | 46.3 | Very low | 93 Ų | 93 | 159 Ų | 159 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | | | trans | 38.6 | 107.1 | 149.9 | 54.5 | 0 | 0 | 0 | 0 | 117.7 | L61 S65 | L61-S63 PolarHBondContact O-N 3Å; S63-S65 PolarHBondContact O-N 2.9Å |
| 64 | S | 51.7 | Low | 46.9 | Very low | 128 Ų | 128 | 157.6 Ų | 157.6 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -20 | 111 | 141.8 | 179.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 65 | S | 48.5 | Very low | 47.5 | Very low | 104 Ų | 104 | 156 Ų | 156 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -139.4 | 104.4 | 148 | 61.5 | 0 | 0 | 0 | 0 | 106.8 | S63 S67 | S63-S65 PolarHBondContact O-N 2.9Å; S65-S67 PolarHBondContact O-N 2.88Å |
| 66 | G | 54.8 | Low | 48 | Very low | 76 Ų | 76 | 157.3 Ų | 157.3 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -55.7 | 118.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 67 | S | 42 | Very low | 48.5 | Very low | 106 Ų | 106 | 152.4 Ų | 152.4 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -106.6 | 123.1 | 155.6 | -62.6 | 0 | 0 | 0 | 0 | 106.2 | S65 S69 | S65-S67 PolarHBondContact O-N 2.88Å; S67-S69 PolarHBondContact O-N 2.93Å |
| 68 | P | 50.2 | Low | 49 | Very low | 123 Ų | 123 | 155 Ų | 155 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | -63.1 | 103.5 | 173.1 | -16.6 | 29.5 | 0 | 0 | 0 | 107.8 | R70 | P68-R70 VanDerWaalsContact C-N 3.26Å; P68-R70 PolarHBondContact O-N 3.35Å |
| 69 | S | 47.5 | Very low | 49.2 | Very low | 105 Ų | 105 | 155.9 Ų | 155.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -62.1 | 98.7 | 161.4 | 52.5 | 0 | 0 | 0 | 0 | 105.6 | S67 Q71 | S67-S69 PolarHBondContact O-N 2.93Å; S69-Q71 PolarHBondContact O-N 3.45Å |
| 70 | R | 47.4 | Very low | 49.6 | Very low | 244 Ų | 244 | 153.5 Ų | 153.5 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | -52 | 110.7 | 170.7 | -90.8 | -177.1 | 171.7 | 170.1 | -3.1 | 106.4 | P68 K72 | P68-R70 VanDerWaalsContact C-N 3.26Å; P68-R70 PolarHBondContact O-N 3.35Å; R70-K72 PolarHBondContact O-N 3.42Å |
| 71 | Q | 51.2 | Low | 49.9 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -51.4 | 122.8 | 178.6 | -71.4 | 171.6 | -63.3 | 0 | 0 | 106.5 | S69 D73 | S69-Q71 PolarHBondContact O-N 3.45Å; Q71-D73 PolarHBondContact O-N 3.49Å |
| 72 | K | 47.7 | Very low | 50.1 | Low | 164 Ų | 164 | 149.2 Ų | 149.2 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | -67.8 | 93.4 | 162 | -174.1 | 176.9 | -178.8 | 174.3 | 0 | 104.2 | R70 R74 | R70-K72 PolarHBondContact O-N 3.42Å; K72-R74 HydrophobicContact CG-CG 4.27Å; K72-R74 PolarHBondContact O-N 3.34Å |
| 73 | D | 50.8 | Low | 50.6 | Low | 116 Ų | 116 | 142.2 Ų | 142.2 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | | | trans | -54.8 | 94.9 | 169.5 | -80.5 | -43.5 | 0 | 0 | 0 | 107.7 | Q71 | Q71-D73 PolarHBondContact O-N 3.49Š|
| 74 | R | 52.1 | Low | 51.1 | Low | 202 Ų | 202 | 146.7 Ų | 146.7 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | -93.8 | 38.5 | 166.7 | -76.2 | -179.8 | 164.9 | 159 | -5.9 | 108.8 | K72 | K72-R74 HydrophobicContact CG-CG 4.27Å; K72-R74 PolarHBondContact O-N 3.34Å |
| 75 | R | 51.2 | Low | 51.1 | Low | 209 Ų | 209 | 148 Ų | 148 | 79% | 0.789 | 75% | 0.754 | S | S | * | * | | | trans | -117.1 | -0.6 | 179.1 | -72 | -170.8 | -178.9 | -174.2 | 0.1 | 113.6 | | |
| 76 | D | 52.3 | Low | 51.5 | Low | 129 Ų | 129 | 150.6 Ų | 150.6 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -97.3 | 7.1 | 177.5 | -84.8 | -12.5 | 0 | 0 | 0 | 114 | | |
| 77 | D | 53.5 | Low | 51.3 | Low | 145 Ų | 145 | 152.3 Ų | 152.3 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -93.3 | -8.5 | 178.3 | -113.4 | -49.2 | 0 | 0 | 0 | 113.4 | | |
| 78 | E | 54.4 | Low | 51.6 | Low | 174 Ų | 174 | 154.6 Ų | 154.6 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -90.5 | -30.6 | 179.3 | -72.1 | -177.5 | 173.1 | 0 | 0 | 112.7 | K80 | E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 3.33Å |
| 79 | D | 53.8 | Low | 51.9 | Low | 129 Ų | 129 | 157.3 Ų | 157.3 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.8 | -178.4 | -67.3 | -33.9 | 0 | 0 | 0 | 114.5 | | |
| 80 | K | 54.8 | Low | 52.1 | Low | 170 Ų | 170 | 160.4 Ų | 160.4 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 8.1 | -177.6 | -147 | 176.2 | -176.2 | 175.8 | 0 | 113.9 | E78 | E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 3.33Å |
| 81 | K | 51.2 | Low | 52.4 | Low | 173 Ų | 173 | 154 Ų | 154 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -93.6 | -8.2 | -179.2 | -144.2 | -178.1 | 179.3 | -170.9 | 0 | 114.3 | | |
| 82 | D | 50 | Low | 52.7 | Low | 146 Ų | 146 | 153.8 Ų | 153.8 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -101.7 | 6 | -176.3 | -65.2 | -23.2 | 0 | 0 | 0 | 114.5 | | |
| 83 | S | 54.1 | Low | 53.2 | Low | 88 Ų | 88 | 147.7 Ų | 147.7 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | | | trans | -96.9 | 15.2 | 179 | -62.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 84 | K | 54.8 | Low | 53.5 | Low | 187 Ų | 187 | 144.6 Ų | 144.6 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -88.7 | -4.8 | -175.5 | -93.9 | -169.7 | 177.2 | -174.4 | 0 | 116 | | |
| 85 | D | 51.8 | Low | 53.8 | Low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | | | trans | -124.6 | 66.5 | 177.9 | -58.8 | -43.8 | 0 | 0 | 0 | 110 | | |
| 86 | K | 55.9 | Low | 54.3 | Low | 159 Ų | 159 | 141.3 Ų | 141.3 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | | | trans | -76.4 | 122.4 | 156.4 | -69.9 | -171.2 | -179.4 | -174.7 | 0 | 106 | I88 | K86-I88 PolarHBondContact O-N 3.47Å; K86-I88 VanDerWaalsContact O-N 3.16Å |
| 87 | P | 50 | Low | 54.5 | Low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | | | trans | -55.4 | 128.9 | 173.3 | 24.9 | -32.5 | 0 | 0 | 0 | 107 | K89 | P87-K89 VanDerWaalsContact C-N 3.3Å; P87-K89 PolarHBondContact O-N 3.44Å |
| 88 | I | 49.3 | Very low | 54.7 | Low | 153 Ų | 153 | 135.7 Ų | 135.7 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | | | trans | -52.8 | 107.3 | 164 | -61.8 | 167.7 | 0 | 0 | 0 | 103.5 | K86 E90 | K86-I88 PolarHBondContact O-N 3.47Å; K86-I88 VanDerWaalsContact O-N 3.16Å; I88-E90 VanDerWaalsContact C-N 3.3Å; I88-E90 PolarHBondContact O-N 3.35Å |
| 89 | K | 55.8 | Low | 54.6 | Low | 180 Ų | 180 | 135.3 Ų | 135.3 | 78% | 0.783 | 67% | 0.665 | S | S | * | * | | | trans | -61.1 | 105.8 | 174.1 | -78.6 | -175.7 | 175.8 | -173.2 | 0 | 104.5 | P87 H91 | P87-K89 VanDerWaalsContact C-N 3.3Å; P87-K89 PolarHBondContact O-N 3.44Å; K89-H91 PolarHBondContact O-N 3.02Å; K89-H91 VanDerWaalsContact O-N 3.08Å |
| 90 | E | 52.7 | Low | 55 | Low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | | | trans | -50.2 | 121.5 | 168 | -65 | -174.8 | 167.3 | 0 | 0 | 106.1 | I88 Q92 | I88-E90 VanDerWaalsContact C-N 3.3Å; I88-E90 PolarHBondContact O-N 3.35Å; E90-Q92 VanDerWaalsContact C-N 3.33Å; E90-Q92 PolarHBondContact O-N 3.43Å |
| 91 | H | 53.9 | Low | 55.3 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 51% | 0.514 | 66% | 0.656 | S | S | . | * | | | trans | -60.9 | 100.7 | 179.6 | -70.9 | -80.3 | 0 | 0 | 0 | 107.2 | K89 I93 | K89-H91 PolarHBondContact O-N 3.02Å; K89-H91 VanDerWaalsContact O-N 3.08Å; H91-I93 PolarHBondContact O-N 3.08Å |
| 92 | Q | 57.1 | Low | 56.4 | Low | 157 Ų | 157 | 124.9 Ų | 124.9 | 73% | 0.734 | 64% | 0.643 | S | S | * | * | | | trans | -67.3 | 103.9 | 173.6 | -68.1 | -179.5 | -1.7 | 0 | 0 | 106.5 | E90 S94 | E90-Q92 VanDerWaalsContact C-N 3.33Å; E90-Q92 PolarHBondContact O-N 3.43Å; Q92-S94 PolarHBondContact O-N 2.78Å |
| 93 | I | 56.9 | Low | 57.4 | Low | 36 Ų | 36 | 126 Ų | 126 | 19% | 0.185 | 64% | 0.644 | C | S | . | * | | | trans | -68.8 | 121.3 | 166.4 | -59.3 | 166.3 | 0 | 0 | 0 | 104.8 | H91 D97 M98 I106 K110 | H91-I93 PolarHBondContact O-N 3.08Å; I93-D97 HydrophobicContact CG2-CB 3.72Å; I93-M98 HydrophobicContact CG2-CG 4.27Å; I93-I106 HydrophobicContact CD1-CG2 4.01Å; I93-K110 HydrophobicContact CD1-CB 4.13Å; I93-K110 HydrophobicContact CD1-CD 4.25Å; I93-K110 HydrophobicContact CD1-CG 4.26Å |
| 94 | S | 58.6 | Low | 58.2 | Low | 52 Ų | 52 | 128.6 Ų | 128.6 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | | | trans | -67.7 | 151.6 | 177.8 | 55 | 0 | 0 | 0 | 0 | 109.8 | Q92 E96 D97 | Q92-S94 PolarHBondContact O-N 2.78Å; S94-E96 PolarHBondContact O-N 3Å; S94-E96 VanDerWaalsContact O-N 3.08Å; S94-D97 PolarHBondContact O-N 2.98Å; S94-D97 PolarHBondContact OG-OD2 3.15Å |
| 95 | E | 58.7 | Low | 58.9 | Low | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -23.6 | 179.3 | -71.6 | 175.9 | 164 | 0 | 0 | 112.6 | | |
| 96 | E | 60.8 | Low | 59.9 | Low | 164 Ų | 164 | 118.3 Ų | 118.3 | 77% | 0.766 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -31.3 | 174.2 | -63.5 | 176.2 | 170.6 | 0 | 0 | 112.9 | S94 M98 Q99 | S94-E96 PolarHBondContact O-N 3Å; S94-E96 VanDerWaalsContact O-N 3.08Å; E96-M98 VanDerWaalsContact C-N 3.33Å; E96-Q99 PolarHBondContact O-N 3.41Å |
| 97 | D | 56.9 | Low | 60.7 | Low | 50 Ų | 50 | 116.6 Ų | 116.6 | 27% | 0.267 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -16.7 | 179.4 | -78.5 | -32.5 | 0 | 0 | 0 | 113 | I93 S94 M109 | I93-D97 HydrophobicContact CG2-CB 3.72Å; S94-D97 PolarHBondContact O-N 2.98Å; S94-D97 PolarHBondContact OG-OD2 3.15Å; D97-M109 HydrophobicContact CB-CE 4.39Å |
| 98 | M | 57.9 | Low | 61.8 | Low | 107 Ų | 107 | 116.8 Ų | 116.8 | 53% | 0.527 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -14 | 173.4 | -84.6 | -164.1 | 177.7 | 0 | 0 | 113.4 | I93 E96 G100 I106 | I93-M98 HydrophobicContact CG2-CG 4.27Å; E96-M98 VanDerWaalsContact C-N 3.33Å; M98-G100 PolarHBondContact O-N 3.16Å; M98-G100 VanDerWaalsContact O-N 3.15Å; M98-I106 HydrophobicContact CG-CD1 4.17Å |
| 99 | Q | 52.4 | Low | 62.9 | Low | 166 Ų | 166 | 111.3 Ų | 111.3 | 78% | 0.776 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 101.1 | -169.3 | -153.9 | 156.2 | 15.9 | 0 | 0 | 111.2 | E96 | E96-Q99 PolarHBondContact O-N 3.41Š|
| 100 | G | 61.9 | Low | 63.6 | Low | 83 Ų | 83 | 109.1 Ų | 109.1 | 86% | 0.856 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.4 | 11 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | M98 | M98-G100 PolarHBondContact O-N 3.16Å; M98-G100 VanDerWaalsContact O-N 3.15Å |
| 101 | K | 60.8 | Low | 64.6 | Low | 89 Ų | 89 | 106.8 Ų | 106.8 | 39% | 0.387 | 54% | 0.538 | S | S | . | . | | | trans | -109.3 | 148.9 | 174.5 | -68.8 | 174 | -174.5 | 164.8 | 0 | 110.9 | E105 I106 M109 | K101-E105 HydrophobicContact CB-CB 4.17Å; K101-I106 HydrophobicContact CB-CG1 4.14Å; K101-M109 HydrophobicContact CD-CE 4.44Å; K101-M109 VanDerWaalsContact NZ-CE 3.26Å |
| 102 | T | 74.1 | Confident | 65.3 | Low | 80 Ų | 80 | 107.7 Ų | 107.7 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | | | trans | -68.5 | 154.5 | 176.1 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | E104 E105 I106 | T102-E104 PolarHBondContact O-N 3.27Å; T102-E105 PolarHBondContact N-OE2 2.83Å; T102-E105 WeakPolarHBondContact O-CB 3.23Å; T102-E105 PolarHBondContact O-N 2.85Å; T102-E105 VanDerWaalsContact OG1-CD 3.24Å; T102-E105 VanDerWaalsContact OG1-CG 3.24Å; T102-E105 WeakPolarHBondContact OG1-CG 3.45Å; T102-E105 PolarHBondContact OG1-OE2 3.05Å; T102-I106 WeakPolarHBondContact O-CG1 3.46Å; T102-I106 PolarHBondContact O-N 3.45Å |
| 103 | E | 70.8 | Confident | 65.9 | Low | 171 Ų | 171 | 102.1 Ų | 102.1 | 80% | 0.799 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.4 | -34 | -179.5 | -66.1 | 176.6 | 175.9 | 0 | 0 | 112.1 | I106 E107 | E103-I106 PolarHBondContact O-N 3.27Å; E103-E107 WeakPolarHBondContact O-CB 3.44Å; E103-E107 PolarHBondContact O-N 2.93Å |
| 104 | E | 70.8 | Confident | 66.4 | Low | 142 Ų | 142 | 105.9 Ų | 105.9 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67 | -38.3 | 174.9 | -61.6 | -175.9 | 169.8 | 0 | 0 | 112.3 | T102 E107 M108 | T102-E104 PolarHBondContact O-N 3.27Å; E104-E107 PolarHBondContact O-N 3.43Å; E104-M108 WeakPolarHBondContact O-CB 3.47Å; E104-M108 VanDerWaalsContact O-CG 3.25Å; E104-M108 WeakPolarHBondContact O-CG 3.2Å; E104-M108 PolarHBondContact O-N 2.85Å |
| 105 | E | 69.7 | Low | 66.9 | Low | 98 Ų | 98 | 103.8 Ų | 103.8 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 175.9 | -73.8 | 168.2 | 144.7 | 0 | 0 | 112 | K101 T102 M108 M109 | K101-E105 HydrophobicContact CB-CB 4.17Å; T102-E105 PolarHBondContact N-OE2 2.83Å; T102-E105 WeakPolarHBondContact O-CB 3.23Å; T102-E105 PolarHBondContact O-N 2.85Å; T102-E105 VanDerWaalsContact OG1-CD 3.24Å; T102-E105 VanDerWaalsContact OG1-CG 3.24Å; T102-E105 WeakPolarHBondContact OG1-CG 3.45Å; T102-E105 PolarHBondContact OG1-OE2 3.05Å; E105-M108 PolarHBondContact O-N 3.08Å; E105-M109 WeakPolarHBondContact O-CB 3.25Å; E105-M109 WeakPolarHBondContact O-CG 3.41Å; E105-M109 PolarHBondContact O-N 3.47Å |
| 106 | I | 71.9 | Confident | 67.4 | Low | 27 Ų | 27 | 99.8 Ų | 99.8 | 14% | 0.138 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -68 | -40.5 | 174.8 | -64.5 | 164.8 | 0 | 0 | 0 | 110.1 | I93 M98 K101 T102 E103 M109 K110 | I93-I106 HydrophobicContact CD1-CG2 4.01Å; M98-I106 HydrophobicContact CG-CD1 4.17Å; K101-I106 HydrophobicContact CB-CG1 4.14Å; T102-I106 WeakPolarHBondContact O-CG1 3.46Å; T102-I106 PolarHBondContact O-N 3.45Å; E103-I106 PolarHBondContact O-N 3.27Å; I106-M109 PolarHBondContact O-N 3.36Å; I106-K110 WeakPolarHBondContact O-CB 3.22Å; I106-K110 PolarHBondContact O-N 3.4Å |
| 107 | E | 73.6 | Confident | 68.3 | Low | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 174.4 | -167.9 | 174.1 | -164.6 | 0 | 0 | 111.4 | E103 E104 M109 K110 I111 | E103-E107 WeakPolarHBondContact O-CB 3.44Å; E103-E107 PolarHBondContact O-N 2.93Å; E104-E107 PolarHBondContact O-N 3.43Å; E107-M109 PolarHBondContact O-N 3.23Å; E107-K110 WeakPolarHBondContact O-CB 3.5Å; E107-K110 PolarHBondContact O-N 2.99Å; E107-I111 HydrophobicContact CG-CD1 3.9Å; E107-I111 HydrophobicContact CG-CG1 4.43Å; E107-I111 WeakPolarHBondContact O-CB 3.04Å; E107-I111 VanDerWaalsContact O-CG1 3.23Å; E107-I111 WeakPolarHBondContact O-CG1 3.35Å; E107-I111 PolarHBondContact O-N 2.79Å |
| 108 | M | 72.6 | Confident | 69.3 | Low | 118 Ų | 118 | 103.7 Ų | 103.7 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -38.3 | 173.1 | -71.8 | -149.8 | -155.7 | 0 | 0 | 112.4 | E104 E105 K110 I111 M112 | E104-M108 WeakPolarHBondContact O-CB 3.47Å; E104-M108 VanDerWaalsContact O-CG 3.25Å; E104-M108 WeakPolarHBondContact O-CG 3.2Å; E104-M108 PolarHBondContact O-N 2.85Å; E105-M108 PolarHBondContact O-N 3.08Å; M108-K110 VanDerWaalsContact C-N 3.31Å; M108-K110 PolarHBondContact O-N 3.16Å; M108-I111 PolarHBondContact O-N 3.18Å; M108-M112 WeakPolarHBondContact O-CB 3.48Å; M108-M112 WeakPolarHBondContact O-CG 3.24Å; M108-M112 PolarHBondContact O-N 3.44Å |
| 109 | M | 71.8 | Confident | 70.4 | Confident | 38 Ų | 38 | 103 Ų | 103 | 19% | 0.187 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 173.3 | -71.6 | -112.8 | -64.9 | 0 | 0 | 111.1 | D97 K101 E105 I106 E107 G113 F114 | D97-M109 HydrophobicContact CB-CE 4.39Å; K101-M109 HydrophobicContact CD-CE 4.44Å; K101-M109 VanDerWaalsContact NZ-CE 3.26Å; E105-M109 WeakPolarHBondContact O-CB 3.25Å; E105-M109 WeakPolarHBondContact O-CG 3.41Å; E105-M109 PolarHBondContact O-N 3.47Å; I106-M109 PolarHBondContact O-N 3.36Å; E107-M109 PolarHBondContact O-N 3.23Å; M109-G113 CarbonylContact O-C 3.49Å; M109-G113 WeakPolarHBondContact O-CA 3.49Å; M109-G113 PolarHBondContact O-N 3.02Å; M109-F114 HydrophobicContact CB-CB 4.32Å; M109-F114 WeakPolarHBondContact CE-O 3.42Å; M109-F114 HydrophobicContact CG-CB 4.47Å; M109-F114 PolarHBondContact O-N 3.2Å; M109-F114 HydrophobicContact SD-CB 3.84Å |
| 110 | K | 72.3 | Confident | 71.8 | Confident | 133 Ų | 133 | 99.9 Ų | 99.9 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.8 | -42.5 | 176.2 | -164.4 | 176.7 | -177.6 | 178.4 | 0 | 112.6 | I93 I106 E107 M108 G113 | I93-K110 HydrophobicContact CD1-CB 4.13Å; I93-K110 HydrophobicContact CD1-CD 4.25Å; I93-K110 HydrophobicContact CD1-CG 4.26Å; I106-K110 WeakPolarHBondContact O-CB 3.22Å; I106-K110 PolarHBondContact O-N 3.4Å; E107-K110 WeakPolarHBondContact O-CB 3.5Å; E107-K110 PolarHBondContact O-N 2.99Å; M108-K110 VanDerWaalsContact C-N 3.31Å; M108-K110 PolarHBondContact O-N 3.16Å; K110-G113 PolarHBondContact O-N 3.37Å |
| 111 | I | 71.9 | Confident | 72.8 | Confident | 122 Ų | 122 | 105.1 Ų | 105.1 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 178.6 | -70.8 | 165.3 | 0 | 0 | 0 | 110.8 | E107 M108 G113 | E107-I111 HydrophobicContact CG-CD1 3.9Å; E107-I111 HydrophobicContact CG-CG1 4.43Å; E107-I111 WeakPolarHBondContact O-CB 3.04Å; E107-I111 VanDerWaalsContact O-CG1 3.23Å; E107-I111 WeakPolarHBondContact O-CG1 3.35Å; E107-I111 PolarHBondContact O-N 2.79Å; M108-I111 PolarHBondContact O-N 3.18Å; I111-G113 PolarHBondContact O-N 2.93Å |
| 112 | M | 69.7 | Low | 73.9 | Confident | 129 Ų | 129 | 105.1 Ų | 105.1 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -5.8 | 179.2 | -63 | -67.5 | -177.5 | 0 | 0 | 112.7 | M108 F114 | M108-M112 WeakPolarHBondContact O-CB 3.48Å; M108-M112 WeakPolarHBondContact O-CG 3.24Å; M108-M112 PolarHBondContact O-N 3.44Å; M112-F114 VanDerWaalsContact C-N 3.28Å; M112-F114 HydrophobicContact CB-CD2 3.38Å; M112-F114 HydrophobicContact CB-CE2 3.51Å; M112-F114 HydrophobicContact CB-CG 4.45Å; M112-F114 HydrophobicContact CG-CD2 4.36Å; M112-F114 HydrophobicContact CG-CE2 4.25Å; M112-F114 PolarHBondContact O-N 3.07Å |
| 113 | G | 69.6 | Low | 74.4 | Confident | 40 Ų | 40 | 106.8 Ų | 106.8 | 41% | 0.412 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.4 | 19.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M109 K110 I111 G115 | M109-G113 CarbonylContact O-C 3.49Å; M109-G113 WeakPolarHBondContact O-CA 3.49Å; M109-G113 PolarHBondContact O-N 3.02Å; K110-G113 PolarHBondContact O-N 3.37Å; I111-G113 PolarHBondContact O-N 2.93Å; G113-G115 PolarHBondContact O-N 3.21Å |
| 114 | F | 68.4 | Low | 75 | Confident | 115 Ų | 115 | 107.5 Ų | 107.5 | 50% | 0.504 | 55% | 0.553 | S | S | . | * | | | trans | -78.1 | 72.1 | 170.9 | -65.5 | -63.7 | 0 | 0 | 0 | 109.9 | M109 M112 F117 | M109-F114 HydrophobicContact CB-CB 4.32Å; M109-F114 WeakPolarHBondContact CE-O 3.42Å; M109-F114 HydrophobicContact CG-CB 4.47Å; M109-F114 PolarHBondContact O-N 3.2Å; M109-F114 HydrophobicContact SD-CB 3.84Å; M112-F114 VanDerWaalsContact C-N 3.28Å; M112-F114 HydrophobicContact CB-CD2 3.38Å; M112-F114 HydrophobicContact CB-CE2 3.51Å; M112-F114 HydrophobicContact CB-CG 4.45Å; M112-F114 HydrophobicContact CG-CD2 4.36Å; M112-F114 HydrophobicContact CG-CE2 4.25Å; M112-F114 PolarHBondContact O-N 3.07Å; F114-F117 HydrophobicContact CD1-CZ 4.3Å |
| 115 | G | 68.4 | Low | 75.7 | Confident | 8 Ų | 8 | 102.8 Ų | 102.8 | 8% | 0.082 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -163.9 | 131.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G113 | G113-G115 PolarHBondContact O-N 3.21Š|
| 116 | N | 69.9 | Low | 76.3 | Confident | 93 Ų | 93 | 104.7 Ų | 104.7 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | | | trans | 63.7 | 79.2 | -178.6 | -154.1 | 3.7 | 0 | 0 | 0 | 114.1 | D118 | N116-D118 PolarHBondContact O-N 3.24Š|
| 117 | F | 78.4 | Confident | 76.7 | Confident | 173 Ų | 173 | 106.8 Ų | 106.8 | 76% | 0.759 | 58% | 0.575 | S | S | * | * | | | trans | -71.7 | 97.1 | 178.2 | -69.7 | -77.1 | 0 | 0 | 0 | 112.1 | F114 | F114-F117 HydrophobicContact CD1-CZ 4.3Š|
| 118 | D | 77.4 | Confident | 76.9 | Confident | 123 Ų | 123 | 105 Ų | 105 | 66% | 0.658 | 58% | 0.581 | S | S | * | * | | | trans | -76.7 | 128.3 | 171.8 | -98 | -46.6 | 0 | 0 | 0 | 112 | N116 K123 | N116-D118 PolarHBondContact O-N 3.24Å; D118-K123 IonicContact OD1-NZ 3.37Å; D118-K123 PolarHBondContact OD1-NZ 3.12Å |
| 119 | T | 81.2 | Confident | 77.4 | Confident | 94 Ų | 94 | 104.5 Ų | 104.5 | 58% | 0.577 | 59% | 0.585 | S | S | * | * | | | trans | -81.1 | 135.3 | 170.1 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | K123 | T119-K123 VanDerWaalsContact O-CD 3.28Å; T119-K123 WeakPolarHBondContact O-CD 3.17Å; T119-K123 VanDerWaalsContact O-CE 3.31Å; T119-K123 WeakPolarHBondContact O-CE 3.48Å; T119-K123 PolarHBondContact O-NZ 2.9Å |
| 120 | T | 82.8 | Confident | 77.8 | Confident | 100 Ų | 100 | 107.1 Ų | 107.1 | 61% | 0.613 | 60% | 0.6 | S | S | * | * | | | trans | -94.5 | -6.9 | 173.9 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | G122 K123 T125 | T120-G122 PolarHBondContact O-N 2.87Å; T120-K123 PolarHBondContact O-N 2.9Å; T120-K123 VanDerWaalsContact O-N 3.14Å; T120-T125 HydrophobicContact CG2-CG2 4.23Å |
| 121 | K | 82.8 | Confident | 78.5 | Confident | 193 Ų | 193 | 104.7 Ų | 104.7 | 84% | 0.839 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 119.8 | 178.2 | -171.6 | 179 | -178.8 | -179.2 | 0 | 110.1 | K123 | K121-K123 PolarHBondContact O-N 3.05Š|
| 122 | G | 83.2 | Confident | 79.2 | Confident | 89 Ų | 89 | 106.6 Ų | 106.6 | 92% | 0.918 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.2 | -1.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T120 | T120-G122 PolarHBondContact O-N 2.87Š|
| 123 | K | 85.6 | Confident | 80.2 | Confident | 114 Ų | 114 | 105.4 Ų | 105.4 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -100 | 136.5 | 174.7 | -61.3 | -175.8 | -169.2 | 158.6 | 0 | 109.9 | D118 T119 T120 K121 T125 | D118-K123 IonicContact OD1-NZ 3.37Å; D118-K123 PolarHBondContact OD1-NZ 3.12Å; T119-K123 VanDerWaalsContact O-CD 3.28Å; T119-K123 WeakPolarHBondContact O-CD 3.17Å; T119-K123 VanDerWaalsContact O-CE 3.31Å; T119-K123 WeakPolarHBondContact O-CE 3.48Å; T119-K123 PolarHBondContact O-NZ 2.9Å; T120-K123 PolarHBondContact O-N 2.9Å; T120-K123 VanDerWaalsContact O-N 3.14Å; K121-K123 PolarHBondContact O-N 3.05Å; K123-T125 PolarHBondContact O-N 3.14Å |
| 124 | K | 82.9 | Confident | 81.3 | Confident | 187 Ų | 187 | 110.2 Ų | 110.2 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | | | trans | -71.2 | 112.3 | 172.7 | -177.3 | 177.2 | 179 | -177.8 | 0 | 109.1 | | |
| 125 | T | 85 | Confident | 82.4 | Confident | 42 Ų | 42 | 112.4 Ų | 112.4 | 26% | 0.258 | 65% | 0.653 | S | S | . | * | | | trans | -74.7 | 140.4 | 175.5 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | T120 K123 V129 | T120-T125 HydrophobicContact CG2-CG2 4.23Å; K123-T125 PolarHBondContact O-N 3.14Å; T125-V129 WeakPolarHBondContact OG1-CB 3.43Å; T125-V129 WeakPolarHBondContact OG1-CG1 3.31Å |
| 126 | N | 81.9 | Confident | 83.6 | Confident | 138 Ų | 138 | 117.1 Ų | 117.1 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -75.8 | 153.3 | 175.8 | -64.7 | -51.7 | 0 | 0 | 0 | 110.2 | | |
| 127 | G | 81.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 96.5 | -158.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V129 | G127-V129 VanDerWaalsContact C-N 3.28Å; G127-V129 PolarHBondContact O-N 3.33Å |
| 128 | A | 78.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 117.9 Ų | 117.9 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -85.6 | 8.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N130 A131 | A128-N130 PolarHBondContact O-N 3.5Å; A128-N130 VanDerWaalsContact O-N 3.16Å; A128-A131 HydrophobicContact CB-CB 4.29Å; A128-A131 WeakPolarHBondContact O-CB 3.28Å; A128-A131 PolarHBondContact O-N 3.23Å |
| 129 | V | 83.1 | Confident | 86 | Confident | 107 Ų | 107 | 121.4 Ų | 121.4 | 65% | 0.648 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -58.3 | -32.6 | -175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | T125 G127 | T125-V129 WeakPolarHBondContact OG1-CB 3.43Å; T125-V129 WeakPolarHBondContact OG1-CG1 3.31Å; G127-V129 VanDerWaalsContact C-N 3.28Å; G127-V129 PolarHBondContact O-N 3.33Å |
| 130 | N | 80.1 | Confident | 86.4 | Confident | 94 Ų | 94 | 126.2 Ų | 126.2 | 50% | 0.503 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -103.1 | 17.9 | 179.4 | -62.5 | -53.3 | 0 | 0 | 0 | 113.1 | A128 H132 | A128-N130 PolarHBondContact O-N 3.5Å; A128-N130 VanDerWaalsContact O-N 3.16Å; N130-H132 PolarHBondContact O-N 3.26Å; N130-H132 PolarHBondContact O-ND1 3.24Å |
| 131 | A | 85.8 | Confident | 86.8 | Confident | 82 Ų | 82 | 129.4 Ų | 129.4 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | | | trans | -70.3 | 113.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A128 | A128-A131 HydrophobicContact CB-CB 4.29Å; A128-A131 WeakPolarHBondContact O-CB 3.28Å; A128-A131 PolarHBondContact O-N 3.23Å |
| 132 | H | 87.8 | Confident | 87.2 | Confident | 162 Ų | 162 | 126.6 Ų | 126.6 | 75% | 0.75 | 70% | 0.702 | S | S | * | * | | | trans | -132.6 | 146.1 | 174.8 | 61.7 | -78.2 | 0 | 0 | 0 | 109.7 | N130 | N130-H132 PolarHBondContact O-N 3.26Å; N130-H132 PolarHBondContact O-ND1 3.24Å |
| 133 | A | 90.9 | Very high | 87.6 | Confident | 104 Ų | 104 | 127.5 Ų | 127.5 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | | | trans | -136.6 | 133.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 134 | I | 92.3 | Very high | 87.8 | Confident | 141 Ų | 141 | 125.6 Ų | 125.6 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | | | trans | -118 | 121.7 | 179.6 | -48.8 | 177.6 | 0 | 0 | 0 | 108.3 | V136 | I134-V136 HydrophobicContact CG2-CG2 3.42Å; I134-V136 VanDerWaalsContact CG2-CG2 3.42Å |
| 135 | N | 92.1 | Very high | 88 | Confident | 161 Ų | 161 | 124.2 Ų | 124.2 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | | | trans | -102.4 | 96.8 | 171.8 | -175.5 | 5.1 | 0 | 0 | 0 | 109.6 | | |
| 136 | V | 93.6 | Very high | 88.2 | Confident | 107 Ų | 107 | 129.2 Ų | 129.2 | 65% | 0.648 | 68% | 0.684 | S | S | * | * | | | trans | -101.6 | 113.5 | 178.5 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | I134 Q138 | I134-V136 HydrophobicContact CG2-CG2 3.42Å; I134-V136 VanDerWaalsContact CG2-CG2 3.42Å; V136-Q138 HydrophobicContact CG1-CG 4.29Å |
| 137 | S | 91.6 | Very high | 88.5 | Confident | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | | | trans | -102.5 | 104.5 | 169.9 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 138 | Q | 92.8 | Very high | 88.9 | Confident | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 136.4 | 174.5 | -64.2 | -176.8 | 0.4 | 0 | 0 | 110.8 | V136 R140 | V136-Q138 HydrophobicContact CG1-CG 4.29Å; Q138-R140 PolarHBondContact O-N 3.45Å |
| 139 | K | 90.6 | Very high | 89.1 | Confident | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.857 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.9 | 174.3 | -72 | -176.7 | 179.3 | 179.3 | 0 | 109.9 | K141 | K139-K141 PolarHBondContact O-N 3.48Š|
| 140 | R | 90.7 | Very high | 89.1 | Confident | 195 Ų | 195 | 131 Ų | 131 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120.7 | 173.9 | -65.9 | -177.5 | 73.6 | -179.7 | 4 | 108.9 | Q138 Y142 | Q138-R140 PolarHBondContact O-N 3.45Å; R140-Y142 HydrophobicContact CB-CE2 4.19Å; R140-Y142 PolarHBondContact O-N 3.22Å |
| 141 | K | 90.6 | Very high | 89.2 | Confident | 168 Ų | 168 | 129.2 Ų | 129.2 | 73% | 0.73 | 66% | 0.661 | S | S | * | * | | | trans | -85.7 | 107.4 | 172.1 | -63.2 | -176.2 | -179.7 | -179 | 0 | 108.5 | K139 F158 | K139-K141 PolarHBondContact O-N 3.48Å; K141-F158 HydrophobicContact CB-CD1 3.84Å; K141-F158 HydrophobicContact CB-CE1 3.96Å; K141-F158 HydrophobicContact CD-CD1 4.43Å; K141-F158 HydrophobicContact CD-CE1 4.2Å |
| 142 | Y | 91.4 | Very high | 89.1 | Confident | 134 Ų | 134 | 134.1 Ų | 134.1 | 53% | 0.525 | 67% | 0.667 | S | S | . | * | | | trans | -80.5 | 158 | 177 | -64.4 | -75 | 0 | 0 | 0 | 111 | R140 F158 I159 | R140-Y142 HydrophobicContact CB-CE2 4.19Å; R140-Y142 PolarHBondContact O-N 3.22Å; Y142-F158 WeakPolarHBondContact O-CA 3.45Å; Y142-I159 PolarHBondContact O-N 2.75Å |
| 143 | R | 90.9 | Very high | 88.9 | Confident | 107 Ų | 107 | 134 Ų | 134 | 40% | 0.404 | 67% | 0.672 | S | S | . | * | B | Isolated β-bridge | trans | -122.5 | 134.9 | -177.1 | -63.7 | 178.4 | 84.8 | -148.2 | 3.8 | 109.5 | Y145 L156 D157 | R143-Y145 HydrophobicContact CB-CE2 4.25Å; R143-Y145 WeakPolarHBondContact O-CD2 3.29Å; R143-L156 HydrophobicContact CB-CB 3.71Å; R143-L156 HydrophobicContact CB-CD1 3.56Å; R143-L156 HydrophobicContact CB-CG 4.25Å; R143-L156 HydrophobicContact CG-CB 4.26Å; R143-L156 HydrophobicContact CG-CD1 4.32Å; R143-L156 VanDerWaalsContact CZ-CB 3.46Å; R143-D157 CarbonylContact C-O 3.53Å; R143-D157 VanDerWaalsContact CA-O 3.29Å; R143-D157 WeakPolarHBondContact CA-O 3.42Å |
| 144 | Q | 89.3 | Confident | 88.8 | Confident | 75 Ų | 75 | 136.6 Ų | 136.6 | 35% | 0.35 | 66% | 0.66 | S | S | . | * | | | trans | -79 | 127.5 | 178.3 | -171.6 | 171.8 | -13.2 | 0 | 0 | 109.2 | M146 R148 D157 I159 | Q144-M146 WeakPolarHBondContact CG-O 3.34Å; Q144-M146 PolarHBondContact NE2-O 2.97Å; Q144-R148 WeakPolarHBondContact O-CD 2.94Å; Q144-D157 PolarHBondContact N-O 2.84Å; Q144-I159 HydrophobicContact CB-CD1 4.38Å; Q144-I159 HydrophobicContact CB-CG1 3.86Å |
| 145 | Y | 88.5 | Confident | 88.6 | Confident | 158 Ų | 158 | 134.6 Ų | 134.6 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | | | trans | -105.6 | -32.2 | 177.5 | -76.8 | -92.1 | 0 | 0 | 0 | 112.9 | R143 R148 L156 | R143-Y145 HydrophobicContact CB-CE2 4.25Å; R143-Y145 WeakPolarHBondContact O-CD2 3.29Å; Y145-R148 WeakPolarHBondContact O-CG 3.32Å; Y145-L156 HydrophobicContact CD1-CD1 3.71Å; Y145-L156 HydrophobicContact CD1-CD2 4.08Å; Y145-L156 HydrophobicContact CD2-CD1 4.02Å; Y145-L156 HydrophobicContact CE1-CD1 3.21Å; Y145-L156 HydrophobicContact CE1-CD2 4.23Å; Y145-L156 HydrophobicContact CE1-CG 4.36Å; Y145-L156 HydrophobicContact CE2-CD1 3.56Å; Y145-L156 HydrophobicContact CG-CD1 4.09Å; Y145-L156 WeakPolarHBondContact OH-CD1 3.38Å |
| 146 | M | 89.3 | Confident | 88.4 | Confident | 146 Ų | 146 | 127.8 Ų | 127.8 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -99.6 | 146 | -173.2 | -62.2 | -58.4 | -176.9 | 0 | 0 | 111.3 | Q144 R148 | Q144-M146 WeakPolarHBondContact CG-O 3.34Å; Q144-M146 PolarHBondContact NE2-O 2.97Å; M146-R148 PolarHBondContact O-N 3.36Å |
| 147 | N | 87 | Confident | 87.9 | Confident | 160 Ų | 160 | 126.3 Ų | 126.3 | 86% | 0.856 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 50.6 | 41.1 | 177 | -56.4 | -20.7 | 0 | 0 | 0 | 112.9 | | |
| 148 | R | 90.4 | Very high | 87.5 | Confident | 47 Ų | 47 | 127.6 Ų | 127.6 | 18% | 0.177 | 60% | 0.6 | C | S | . | * | | | trans | -77.8 | 143.1 | 179.2 | -39 | -168.1 | -26.7 | -127.6 | 10.2 | 110.4 | Q144 Y145 M146 G151 R154 | Q144-R148 WeakPolarHBondContact O-CD 2.94Å; Y145-R148 WeakPolarHBondContact O-CG 3.32Å; M146-R148 PolarHBondContact O-N 3.36Å; R148-G151 PolarHBondContact NH2-O 3.2Å; R148-R154 PolarHBondContact NH2-O 2.99Å |
| 149 | K | 81.7 | Confident | 86.8 | Confident | 194 Ų | 194 | 123.9 Ų | 123.9 | 84% | 0.843 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -81 | 122.4 | 172.4 | -70.4 | -170.7 | 177.7 | -178.1 | 0 | 109.7 | | |
| 150 | G | 83 | Confident | 85.8 | Confident | 38 Ų | 38 | 122.5 Ų | 122.5 | 39% | 0.392 | 61% | 0.61 | S | S | . | * | S | Bend | trans | 89.9 | 130.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 151 | G | 83.3 | Confident | 85.6 | Confident | 56 Ų | 56 | 118.9 Ų | 118.9 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | | | trans | -59.5 | -175.2 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | R148 N153 R154 | R148-G151 PolarHBondContact NH2-O 3.2Å; G151-N153 VanDerWaalsContact C-N 3.26Å; G151-N153 PolarHBondContact O-N 3.34Å; G151-R154 PolarHBondContact O-N 3.13Å; G151-R154 VanDerWaalsContact O-N 3.13Å |
| 152 | F | 82.6 | Confident | 85.3 | Confident | 185 Ų | 185 | 116.3 Ų | 116.3 | 81% | 0.811 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -33.6 | -165.6 | -169.9 | -106.1 | 0 | 0 | 0 | 115 | R154 | F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.06Å |
| 153 | N | 84.7 | Confident | 85 | Confident | 159 Ų | 159 | 115.3 Ų | 115.3 | 85% | 0.85 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 10.8 | -176.2 | -68.4 | 0.6 | 0 | 0 | 0 | 115.1 | G151 | G151-N153 VanDerWaalsContact C-N 3.26Å; G151-N153 PolarHBondContact O-N 3.34Å |
| 154 | R | 87.9 | Confident | 84.6 | Confident | 159 Ų | 159 | 115.8 Ų | 115.8 | 60% | 0.6 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -89.2 | 154.4 | 173.4 | -70.9 | -177.7 | 75.3 | 84.9 | -2.6 | 112.2 | R148 G151 F152 | R148-R154 PolarHBondContact NH2-O 2.99Å; G151-R154 PolarHBondContact O-N 3.13Å; G151-R154 VanDerWaalsContact O-N 3.13Å; F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.06Å |
| 155 | P | 88.4 | Confident | 84.3 | Confident | 99 Ų | 99 | 118.3 Ų | 118.3 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.9 | 170 | 25.6 | -33.7 | 0 | 0 | 0 | 110.6 | | |
| 156 | L | 87.3 | Confident | 84.1 | Confident | 18 Ų | 18 | 115.7 Ų | 115.7 | 9% | 0.094 | 63% | 0.629 | C | S | . | * | P | Polyproline II helix | trans | -73.1 | 138.2 | 176.3 | -46.8 | 177.3 | 0 | 0 | 0 | 110.9 | R143 Y145 | R143-L156 HydrophobicContact CB-CB 3.71Å; R143-L156 HydrophobicContact CB-CD1 3.56Å; R143-L156 HydrophobicContact CB-CG 4.25Å; R143-L156 HydrophobicContact CG-CB 4.26Å; R143-L156 HydrophobicContact CG-CD1 4.32Å; R143-L156 VanDerWaalsContact CZ-CB 3.46Å; Y145-L156 HydrophobicContact CD1-CD1 3.71Å; Y145-L156 HydrophobicContact CD1-CD2 4.08Å; Y145-L156 HydrophobicContact CD2-CD1 4.02Å; Y145-L156 HydrophobicContact CE1-CD1 3.21Å; Y145-L156 HydrophobicContact CE1-CD2 4.23Å; Y145-L156 HydrophobicContact CE1-CG 4.36Å; Y145-L156 HydrophobicContact CE2-CD1 3.56Å; Y145-L156 HydrophobicContact CG-CD1 4.09Å; Y145-L156 WeakPolarHBondContact OH-CD1 3.38Å |
| 157 | D | 85 | Confident | 83.7 | Confident | 76 Ų | 76 | 113.5 Ų | 113.5 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 142.9 | 174.9 | -56.4 | -37.5 | 0 | 0 | 0 | 110.5 | R143 Q144 | R143-D157 CarbonylContact C-O 3.53Å; R143-D157 VanDerWaalsContact CA-O 3.29Å; R143-D157 WeakPolarHBondContact CA-O 3.42Å; Q144-D157 PolarHBondContact N-O 2.84Å |
| 158 | F | 82.1 | Confident | 83.4 | Confident | 139 Ų | 139 | 109.9 Ų | 109.9 | 61% | 0.61 | 61% | 0.605 | S | S | * | * | B | Isolated β-bridge | trans | -71.3 | 132.7 | 171.1 | -66.3 | -71.4 | 0 | 0 | 0 | 109.2 | K141 Y142 A160 | K141-F158 HydrophobicContact CB-CD1 3.84Å; K141-F158 HydrophobicContact CB-CE1 3.96Å; K141-F158 HydrophobicContact CD-CD1 4.43Å; K141-F158 HydrophobicContact CD-CE1 4.2Å; Y142-F158 WeakPolarHBondContact O-CA 3.45Å; F158-A160 PolarHBondContact O-N 3.37Å |
| 159 | I | 78.4 | Confident | 82.8 | Confident | 91 Ų | 91 | 115.2 Ų | 115.2 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 118.4 | 172.5 | -58.1 | 175.4 | 0 | 0 | 0 | 106.6 | Y142 Q144 | Y142-I159 PolarHBondContact O-N 2.75Å; Q144-I159 HydrophobicContact CB-CD1 4.38Å; Q144-I159 HydrophobicContact CB-CG1 3.86Å |
| 160 | A | 69.7 | Low | 82.9 | Confident | 168 Ų | 168 | 108 Ų | 108 | 100% | 1.388 | 62% | 0.622 | S | S | * | * | | | trans | -70.1 | 0 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F158 | F158-A160 PolarHBondContact O-N 3.37Š|