| 1 | M | 41.3 | Very low | 45.6 | Very low | 245 Ų | 245 | 166.8 Ų | 166.8 | 100% | 1.207 | 89% | 0.887 | S | S | * | * | | | | 0 | 111.8 | 0 | -74.6 | 179.9 | 155.3 | 0 | 0 | 107.1 | | |
| 2 | Q | 45 | Very low | 47 | Very low | 191 Ų | 191 | 161.8 Ų | 161.8 | 89% | 0.893 | 87% | 0.871 | S | S | * | * | | | trans | -63 | 133.2 | 172.5 | -87.2 | 141.4 | -55.2 | 0 | 0 | 109.5 | | |
| 3 | L | 46.6 | Very low | 47.8 | Very low | 171 Ų | 171 | 158.2 Ų | 158.2 | 90% | 0.895 | 86% | 0.861 | S | S | * | * | | | trans | -129.4 | 117.2 | 153.4 | -75.7 | 173 | 0 | 0 | 0 | 107.2 | | |
| 4 | E | 42.3 | Very low | 48 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | | | trans | -56.4 | 136.6 | 178.3 | -73.7 | -171.5 | 107 | 0 | 0 | 112.2 | G6 | E4-G6 PolarHBondContact O-N 3.17Š|
| 5 | L | 45.8 | Very low | 47.7 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 96% | 0.958 | 85% | 0.849 | S | S | * | * | | | trans | -83.7 | 88 | 156.5 | -78.9 | 158 | 0 | 0 | 0 | 107.7 | G7 | L5-G7 PolarHBondContact O-N 3.44Š|
| 6 | G | 43.6 | Very low | 47.4 | Very low | 66 Ų | 66 | 155.3 Ų | 155.3 | 68% | 0.68 | 85% | 0.852 | S | S | * | * | | | trans | -71.2 | 109.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E4 | E4-G6 PolarHBondContact O-N 3.17Š|
| 7 | G | 48 | Very low | 47.3 | Very low | 73 Ų | 73 | 156.4 Ų | 156.4 | 75% | 0.753 | 85% | 0.85 | S | S | * | * | | | trans | -79 | 131.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L5 | L5-G7 PolarHBondContact O-N 3.44Š|
| 8 | W | 42.1 | Very low | 47.3 | Very low | 255 Ų | 255 | 157.8 Ų | 157.8 | 97% | 0.966 | 85% | 0.85 | S | S | * | * | | | trans | -111.4 | 123.8 | 165.3 | -76 | 11.9 | 0 | 0 | 0 | 109.9 | | |
| 9 | S | 46.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 153.8 Ų | 153.8 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | | | trans | -64.3 | 137.8 | -176 | -169.5 | 0 | 0 | 0 | 0 | 112 | Q11 | S9-Q11 PolarHBondContact O-N 3.17Š|
| 10 | L | 51.2 | Low | 47.7 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | | | trans | -57.6 | 129.4 | 160.2 | -96.2 | 69.5 | 0 | 0 | 0 | 109 | | |
| 11 | Q | 49.5 | Very low | 48.1 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | | | trans | -127.4 | 118.5 | 163.5 | -161.7 | 176.4 | 21.3 | 0 | 0 | 107.5 | S9 | S9-Q11 PolarHBondContact O-N 3.17Š|
| 12 | P | 62.7 | Low | 48.7 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75 | 151.2 | 172.4 | 29.4 | -30.8 | 0 | 0 | 0 | 110.7 | | |
| 13 | P | 56.6 | Low | 49.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.9 | 179.8 | 28.5 | -33.9 | 0 | 0 | 0 | 111.6 | T15 | P13-T15 PolarHBondContact O-N 2.88Š|
| 14 | P | 51.3 | Low | 49.8 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 130.1 | 176.2 | 28.4 | -32.8 | 0 | 0 | 0 | 110.8 | M16 | P14-M16 PolarHBondContact O-N 3.31Š|
| 15 | T | 42.6 | Very low | 51 | Low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 116.8 | 166.9 | 45.2 | 0 | 0 | 0 | 0 | 109 | P13 E17 | P13-T15 PolarHBondContact O-N 2.88Å; T15-E17 PolarHBondContact O-N 2.79Å |
| 16 | M | 44.3 | Very low | 52 | Low | 184 Ų | 184 | 127.1 Ų | 127.1 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | | | trans | -77.2 | 107.8 | 168.6 | 8.8 | -176.2 | 82 | 0 | 0 | 106.7 | P14 E18 | P14-M16 PolarHBondContact O-N 3.31Å; M16-E18 PolarHBondContact O-N 3.07Å |
| 17 | E | 45.2 | Very low | 53.7 | Low | 175 Ų | 175 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | -63.7 | 119.1 | 170.1 | -73.4 | -82.6 | 134.5 | 0 | 0 | 108.9 | T15 G19 | T15-E17 PolarHBondContact O-N 2.79Å; E17-G19 PolarHBondContact O-N 3.28Å |
| 18 | E | 46.3 | Very low | 55.4 | Low | 181 Ų | 181 | 128.9 Ų | 128.9 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | | | trans | -74.5 | 75.3 | 175 | -171.9 | 162.7 | 171.9 | 0 | 0 | 109.6 | M16 G20 | M16-E18 PolarHBondContact O-N 3.07Å; E18-G20 PolarHBondContact O-N 3.06Å |
| 19 | G | 50.2 | Low | 57 | Low | 83 Ų | 83 | 123.4 Ų | 123.4 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | | | trans | -85.6 | 92.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E17 | E17-G19 PolarHBondContact O-N 3.28Š|
| 20 | G | 53.7 | Low | 58.5 | Low | 70 Ų | 70 | 121.1 Ų | 121.1 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | | | trans | 171.9 | 41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E18 | E18-G20 PolarHBondContact O-N 3.06Š|
| 21 | K | 54.8 | Low | 59.7 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -142.7 | 28.6 | -178.3 | -157.4 | 72.7 | 175.2 | 167.2 | 0 | 113.8 | E24 | K21-E24 WeakPolarHBondContact CE-OE1 3.32Å; K21-E24 IonicContact NZ-OE1 2.71Å; K21-E24 PolarHBondContact NZ-OE1 3.34Å |
| 22 | D | 55.7 | Low | 61 | Low | 126 Ų | 126 | 114.1 Ų | 114.1 | 67% | 0.674 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -119.5 | -18.7 | 178.5 | -105.7 | -82.3 | 0 | 0 | 0 | 113.3 | E26 | D22-E26 VanDerWaalsContact O-CG 3.25Å; D22-E26 WeakPolarHBondContact O-CG 2.99Å; D22-E26 PolarHBondContact O-N 3.04Å |
| 23 | C | 53.2 | Low | 61.7 | Low | 107 Ų | 107 | 116 Ų | 116 | 72% | 0.723 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.8 | -36.3 | -176.5 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | T27 | C23-T27 PolarHBondContact O-OG1 3.41Å |
| 24 | E | 61.5 | Low | 62.5 | Low | 96 Ų | 96 | 119.3 Ų | 119.3 | 45% | 0.449 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -75.2 | -38.4 | 179.2 | 66.2 | 178.5 | 177.9 | 0 | 0 | 112.2 | K21 T27 L28 | K21-E24 WeakPolarHBondContact CE-OE1 3.32Å; K21-E24 IonicContact NZ-OE1 2.71Å; K21-E24 PolarHBondContact NZ-OE1 3.34Å; E24-T27 WeakPolarHBondContact O-CB 3.44Å; E24-T27 PolarHBondContact O-N 2.84Å; E24-L28 WeakPolarHBondContact O-CG 3.4Å; E24-L28 PolarHBondContact O-N 2.79Å |
| 25 | D | 66.2 | Low | 63.2 | Low | 65 Ų | 65 | 119.6 Ų | 119.6 | 35% | 0.348 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | -179.2 | -74.4 | -75.1 | 0 | 0 | 0 | 112.3 | T27 L28 Q29 | D25-T27 VanDerWaalsContact C-N 3.27Å; D25-T27 PolarHBondContact O-N 3.32Å; D25-L28 PolarHBondContact O-N 3.29Å; D25-Q29 WeakPolarHBondContact O-CB 3.16Å; D25-Q29 VanDerWaalsContact O-CG 3.27Å; D25-Q29 WeakPolarHBondContact O-CG 3.08Å; D25-Q29 PolarHBondContact O-N 3.28Å |
| 26 | E | 67.9 | Low | 64.5 | Low | 136 Ų | 136 | 123.5 Ų | 123.5 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -59.8 | -38.4 | 172.7 | -73.5 | -102.6 | 120.5 | 0 | 0 | 111.9 | D22 T30 | D22-E26 VanDerWaalsContact O-CG 3.25Å; D22-E26 WeakPolarHBondContact O-CG 2.99Å; D22-E26 PolarHBondContact O-N 3.04Å; E26-T30 PolarHBondContact O-N 3.45Å; E26-T30 PolarHBondContact O-OG1 2.96Å |
| 27 | T | 79.1 | Confident | 65.4 | Low | 86 Ų | 86 | 120.3 Ų | 120.3 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.8 | -40.3 | -179.2 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | C23 E24 D25 T30 A31 | C23-T27 PolarHBondContact O-OG1 3.41Å; E24-T27 WeakPolarHBondContact O-CB 3.44Å; E24-T27 PolarHBondContact O-N 2.84Å; D25-T27 VanDerWaalsContact C-N 3.27Å; D25-T27 PolarHBondContact O-N 3.32Å; T27-T30 WeakPolarHBondContact CA-OG1 3.33Å; T27-T30 PolarHBondContact O-OG1 2.62Å; T27-A31 WeakPolarHBondContact O-CB 3.47Å; T27-A31 PolarHBondContact O-N 3.34Å |
| 28 | L | 82.4 | Confident | 65.6 | Low | 90 Ų | 90 | 118.3 Ų | 118.3 | 47% | 0.471 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.1 | -42.5 | 175.1 | -68.9 | 173.8 | 0 | 0 | 0 | 111.2 | E24 D25 T30 A31 F32 | E24-L28 WeakPolarHBondContact O-CG 3.4Å; E24-L28 PolarHBondContact O-N 2.79Å; D25-L28 PolarHBondContact O-N 3.29Å; L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 3.23Å; L28-A31 WeakPolarHBondContact O-CB 3.33Å; L28-A31 PolarHBondContact O-N 3.09Å; L28-A31 VanDerWaalsContact O-N 3.11Å; L28-F32 WeakPolarHBondContact O-CD2 3.1Å; L28-F32 PolarHBondContact O-N 3.47Å |
| 29 | Q | 76.4 | Confident | 65.9 | Low | 139 Ų | 139 | 114.2 Ų | 114.2 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.1 | -36 | 176.6 | -73.8 | -164.6 | 29.2 | 0 | 0 | 112.3 | D25 K33 | D25-Q29 WeakPolarHBondContact O-CB 3.16Å; D25-Q29 VanDerWaalsContact O-CG 3.27Å; D25-Q29 WeakPolarHBondContact O-CG 3.08Å; D25-Q29 PolarHBondContact O-N 3.28Å; Q29-K33 WeakPolarHBondContact O-CB 3.31Å; Q29-K33 PolarHBondContact O-N 3.17Å |
| 30 | T | 77.9 | Confident | 66 | Low | 69 Ų | 69 | 119.2 Ų | 119.2 | 42% | 0.423 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.1 | -38.5 | 170.7 | 31.7 | 0 | 0 | 0 | 0 | 112.4 | E26 T27 L28 K33 K34 | E26-T30 PolarHBondContact O-N 3.45Å; E26-T30 PolarHBondContact O-OG1 2.96Å; T27-T30 WeakPolarHBondContact CA-OG1 3.33Å; T27-T30 PolarHBondContact O-OG1 2.62Å; L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 3.23Å; T30-K33 PolarHBondContact O-N 3.33Å; T30-K34 WeakPolarHBondContact O-CB 3.12Å; T30-K34 WeakPolarHBondContact O-CG 3.45Å; T30-K34 PolarHBondContact O-N 3.16Å |
| 31 | A | 75.9 | Confident | 65.9 | Low | 55 Ų | 55 | 119.6 Ų | 119.6 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.4 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T27 L28 K33 K34 L35 | T27-A31 WeakPolarHBondContact O-CB 3.47Å; T27-A31 PolarHBondContact O-N 3.34Å; L28-A31 WeakPolarHBondContact O-CB 3.33Å; L28-A31 PolarHBondContact O-N 3.09Å; L28-A31 VanDerWaalsContact O-N 3.11Å; A31-K33 PolarHBondContact O-N 3Å; A31-K34 CarbonylContact O-C 3.57Å; A31-K34 PolarHBondContact O-N 3.06Å; A31-L35 WeakPolarHBondContact O-CB 3.29Å; A31-L35 PolarHBondContact O-N 2.94Å |
| 32 | F | 76.9 | Confident | 65.4 | Low | 146 Ų | 146 | 122 Ų | 122 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.7 | -35.5 | 176.2 | -78.4 | -69.9 | 0 | 0 | 0 | 112.8 | L28 K34 L35 | L28-F32 WeakPolarHBondContact O-CD2 3.1Å; L28-F32 PolarHBondContact O-N 3.47Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3.47Å; F32-L35 PolarHBondContact O-N 3.3Å |
| 33 | K | 76.8 | Confident | 64.8 | Low | 147 Ų | 147 | 121.2 Ų | 121.2 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.6 | -32.4 | 173.8 | -166.1 | 164.2 | 68.9 | -172.7 | 0 | 112.3 | Q29 T30 A31 | Q29-K33 WeakPolarHBondContact O-CB 3.31Å; Q29-K33 PolarHBondContact O-N 3.17Å; T30-K33 PolarHBondContact O-N 3.33Å; A31-K33 PolarHBondContact O-N 3Å |
| 34 | K | 73.9 | Confident | 64.5 | Low | 184 Ų | 184 | 120.9 Ų | 120.9 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.2 | -18.8 | 173 | -72.7 | -174.1 | 69.8 | -179.5 | 0 | 113.7 | T30 A31 F32 R36 | T30-K34 WeakPolarHBondContact O-CB 3.12Å; T30-K34 WeakPolarHBondContact O-CG 3.45Å; T30-K34 PolarHBondContact O-N 3.16Å; A31-K34 CarbonylContact O-C 3.57Å; A31-K34 PolarHBondContact O-N 3.06Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3.47Å; K34-R36 VanDerWaalsContact C-N 3.25Å; K34-R36 PolarHBondContact O-N 2.93Å |
| 35 | L | 66.2 | Low | 63.6 | Low | 124 Ų | 124 | 122.4 Ų | 122.4 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 20.3 | 174.2 | -158 | 77 | 0 | 0 | 0 | 112.2 | A31 F32 V37 | A31-L35 WeakPolarHBondContact O-CB 3.29Å; A31-L35 PolarHBondContact O-N 2.94Å; F32-L35 PolarHBondContact O-N 3.3Å; L35-V37 PolarHBondContact O-N 3.39Å |
| 36 | R | 69.3 | Low | 62.6 | Low | 206 Ų | 206 | 126.7 Ų | 126.7 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | | | trans | -70.2 | 93.3 | 157.1 | -78.1 | -175.1 | 173.6 | 171.8 | -1.4 | 106.9 | K34 D38 | K34-R36 VanDerWaalsContact C-N 3.25Å; K34-R36 PolarHBondContact O-N 2.93Å; R36-D38 PolarHBondContact O-N 2.87Å |
| 37 | V | 63.2 | Low | 61.3 | Low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | | | trans | -57.6 | 115.3 | 165.9 | 175.6 | 0 | 0 | 0 | 0 | 106.5 | L35 A39 | L35-V37 PolarHBondContact O-N 3.39Å; V37-A39 PolarHBondContact O-N 3.11Å |
| 38 | D | 49.4 | Very low | 59.2 | Low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | | | trans | -61.8 | 90.5 | 168.9 | -77.8 | -33 | 0 | 0 | 0 | 108 | R36 E40 | R36-D38 PolarHBondContact O-N 2.87Å; D38-E40 PolarHBondContact O-N 2.82Å |
| 39 | A | 52.6 | Low | 56.8 | Low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -77.1 | 1.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V37 | V37-A39 PolarHBondContact O-N 3.11Š|
| 40 | E | 53.3 | Low | 54.9 | Low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -135.9 | 48.6 | -171.5 | -59.2 | -179.5 | 172.6 | 0 | 0 | 111.8 | D38 | D38-E40 PolarHBondContact O-N 2.82Š|
| 41 | S | 52.4 | Low | 53.2 | Low | 78 Ų | 78 | 135.3 Ų | 135.3 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | | | trans | -141.3 | 54.5 | 167.2 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 42 | L | 44.2 | Very low | 51.6 | Low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | | | trans | -111.9 | 108.3 | 158.1 | -81.2 | 169.5 | 0 | 0 | 0 | 110 | | |
| 43 | P | 42.2 | Very low | 50 | Low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | | | trans | -73 | 128.9 | 167.6 | 29.9 | -29.4 | 0 | 0 | 0 | 109.3 | T45 | P43-T45 PolarHBondContact O-N 2.86Š|
| 44 | A | 46.7 | Very low | 48.4 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | -1.7 | 111.6 | 162 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 45 | T | 43.7 | Very low | 46.9 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -152.7 | 118 | 149.7 | 1.3 | 0 | 0 | 0 | 0 | 111.1 | P43 | P43-T45 PolarHBondContact O-N 2.86Š|
| 46 | L | 44.5 | Very low | 45.5 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | 69.3 | 66.4 | 158.3 | -47.4 | -173.4 | 0 | 0 | 0 | 118.3 | V48 | L46-V48 PolarHBondContact O-N 3.39Š|
| 47 | H | 39.9 | Very low | 43.9 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | | | trans | -74.5 | 101.1 | 148.5 | -176.2 | -86.3 | 0 | 0 | 0 | 108.8 | C49 | H47-C49 PolarHBondContact O-N 2.05Š|
| 48 | V | 34.7 | Very low | 42.7 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -66.6 | 107.6 | 168.4 | 170.2 | 0 | 0 | 0 | 0 | 108 | L46 | L46-V48 PolarHBondContact O-N 3.39Š|
| 49 | C | 32.9 | Very low | 42.2 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 72% | 0.716 | 80% | 0.796 | S | S | * | * | | | trans | -76.6 | 118.4 | 172.3 | -82.2 | 0 | 0 | 0 | 0 | 110.7 | H47 | H47-C49 PolarHBondContact O-N 2.05Š|
| 50 | E | 36.6 | Very low | 41.3 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -96.6 | 110.8 | 145.8 | -83.7 | -173.2 | 147.6 | 0 | 0 | 108.6 | | |
| 51 | T | 41.4 | Very low | 40.4 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 33.4 | 103 | 150.1 | 29 | 0 | 0 | 0 | 0 | 118.4 | | |
| 52 | I | 42.1 | Very low | 39.8 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | | | | -164.6 | 129.3 | 122 | -83.9 | 135.9 | 0 | 0 | 0 | 107.5 | | |
| 53 | T | 44.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -53.8 | 139.8 | -178.9 | 45.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 54 | P | 42 | Very low | 39.1 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | trans | -135.6 | 133.4 | 134.3 | 33.5 | -19.1 | 0 | 0 | 0 | 112.5 | | |
| 55 | R | 42.3 | Very low | 38.9 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | trans | -87.4 | 150 | 172.3 | -67.1 | -175.9 | -180 | 136.4 | -0.3 | 110.6 | | |
| 56 | V | 37.3 | Very low | 38.9 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | | | trans | 88.1 | 100 | 159.3 | -167.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 57 | V | 36.1 | Very low | 39.2 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | | | trans | -73 | 132.3 | 154.3 | 165.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 58 | S | 37.3 | Very low | 39.4 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | -142.8 | 115.6 | 153.8 | -81 | 0 | 0 | 0 | 0 | 109.4 | | |
| 59 | R | 39.9 | Very low | 40 | Very low | 246 Ų | 246 | 152.2 Ų | 152.2 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | | | trans | -77.2 | 135.7 | 167.8 | -70 | 178.6 | -169.4 | 153.9 | 2.9 | 109 | | |
| 60 | A | 32.6 | Very low | 40.1 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | | | trans | -150.4 | 126 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 61 | F | 34.3 | Very low | 40.3 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | | | trans | -105.4 | 119.6 | 175.7 | 177.9 | -88.6 | 0 | 0 | 0 | 106.9 | | |
| 62 | L | 41.2 | Very low | 40.6 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 78% | 0.78 | 83% | 0.834 | S | S | * | * | | | trans | -165.4 | 108.2 | 153.4 | -141 | 80.8 | 0 | 0 | 0 | 110.8 | | |
| 63 | E | 33.5 | Very low | 40.7 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 81% | 0.808 | 83% | 0.832 | S | S | * | * | | | | 52.6 | 112.9 | 126.2 | -152.8 | 158.6 | -178.7 | 0 | 0 | 121.4 | | |
| 64 | G | 37.5 | Very low | 40.7 | Very low | 76 Ų | 76 | 152 Ų | 152 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | | | trans | 87.5 | 88.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 65 | A | 41.9 | Very low | 40.7 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | | | trans | -169.9 | 144.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 66 | K | 44 | Very low | 40.9 | Very low | 202 Ų | 202 | 151.6 Ų | 151.6 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | | | trans | -55.3 | 147.1 | -171.3 | -63.1 | -179.3 | 172.4 | 176.5 | 0 | 115.6 | | |
| 67 | P | 50 | Low | 41.7 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | | | trans | -83.3 | 119.7 | 167.6 | 31.5 | -29.4 | 0 | 0 | 0 | 111.4 | | |
| 68 | K | 44.8 | Very low | 42.2 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | | | trans | -141.5 | 97 | 159.3 | -94.7 | -167 | 175.7 | -177.9 | 0 | 108.1 | | |
| 69 | L | 46.4 | Very low | 42.5 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 95% | 0.953 | 83% | 0.826 | S | S | * | * | | | trans | -125.4 | 88.6 | 158.9 | -68.1 | 176.1 | 0 | 0 | 0 | 107.1 | | |
| 70 | S | 35.1 | Very low | 43 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -69.4 | 124.8 | 167.8 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | P72 | S70-P72 WeakPolarHBondContact O-CD 3.44Š|
| 71 | C | 40.7 | Very low | 43.9 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -55.8 | 123 | 166.7 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | K73 | C71-K73 PolarHBondContact O-N 3.38Š|
| 72 | P | 49.5 | Very low | 44.6 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | trans | -81 | 105 | 172.5 | 29.2 | -27.9 | 0 | 0 | 0 | 110.4 | S70 | S70-P72 WeakPolarHBondContact O-CD 3.44Š|
| 73 | K | 44.1 | Very low | 45.2 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | | | trans | -27.6 | 123.1 | 160.8 | -174.3 | 155.5 | 178.2 | 164.6 | 0 | 114.5 | C71 N75 | C71-K73 PolarHBondContact O-N 3.38Å; K73-N75 PolarHBondContact O-N 3.18Å |
| 74 | E | 44.8 | Very low | 45.7 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | | | trans | -40.8 | 114.6 | 166.1 | 64.7 | -136.2 | 174.4 | 0 | 0 | 113.1 | | |
| 75 | N | 41.7 | Very low | 46 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | trans | -109.5 | 91.3 | 175.9 | -174.5 | 38.7 | 0 | 0 | 0 | 108.8 | K73 H77 | K73-N75 PolarHBondContact O-N 3.18Å; N75-H77 PolarHBondContact O-N 3.2Å |
| 76 | W | 46 | Very low | 46.3 | Very low | 222 Ų | 222 | 158.4 Ų | 158.4 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | | | trans | -75.4 | 55.5 | 179.7 | -84.3 | 105.6 | 0 | 0 | 0 | 113.3 | | |
| 77 | H | 53.6 | Low | 46.3 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | | | trans | -147.8 | 93.5 | 170.6 | -64.3 | -66.1 | 0 | 0 | 0 | 110.9 | N75 | N75-H77 PolarHBondContact O-N 3.2Š|
| 78 | G | 47.1 | Very low | 46.3 | Very low | 81 Ų | 81 | 151.2 Ų | 151.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -168 | 12.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 79 | S | 44.8 | Very low | 46.6 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -136.1 | 59.8 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 80 | C | 49.2 | Very low | 47.4 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -131.3 | 68.3 | 161.3 | -75.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 81 | M | 50.7 | Low | 47.8 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 130.7 | 164.4 | -76.1 | -68.2 | 105.1 | 0 | 0 | 110.2 | | |
| 82 | R | 50.4 | Low | 48.1 | Very low | 228 Ų | 228 | 154.2 Ų | 154.2 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.2 | -169.3 | -68.8 | 175 | -83.5 | -111.3 | 0.2 | 112.3 | | |
| 83 | K | 53.3 | Low | 48.2 | Very low | 204 Ų | 204 | 157.9 Ų | 157.9 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 147.8 | 170 | -111.4 | 166.7 | 172.6 | 173.1 | 0 | 113.6 | | |
| 84 | T | 43.1 | Very low | 48.8 | Very low | 136 Ų | 136 | 160.1 Ų | 160.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | | | | -163.4 | 154.2 | 116.8 | 67.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 85 | S | 44.4 | Very low | 49.7 | Very low | 98 Ų | 98 | 162.7 Ų | 162.7 | 69% | 0.685 | 82% | 0.822 | S | S | * | * | | | cis | -172.5 | 162.5 | 32.6 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 86 | R | 49.3 | Very low | 50.6 | Low | 249 Ų | 249 | 167.1 Ų | 167.1 | 94% | 0.94 | 83% | 0.829 | S | S | * | * | | | trans | 83.5 | 117 | 161.2 | -58.8 | -170.2 | -176.7 | -138.5 | -0 | 120.4 | | |
| 87 | G | 43.3 | Very low | 51.2 | Low | 79 Ų | 79 | 161.2 Ų | 161.2 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | | | trans | 141.2 | 72.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115 | V89 | G87-V89 PolarHBondContact O-N 3.04Š|
| 88 | A | 49.8 | Very low | 51.5 | Low | 103 Ų | 103 | 163.3 Ų | 163.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | | | trans | -80.2 | 111.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 89 | V | 51.8 | Low | 52.1 | Low | 138 Ų | 138 | 163.2 Ų | 163.2 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | trans | -118.5 | 112.3 | 153.5 | 178 | 0 | 0 | 0 | 0 | 106.4 | G87 S91 | G87-V89 PolarHBondContact O-N 3.04Å; V89-S91 VanDerWaalsContact C-N 3.35Å; V89-S91 PolarHBondContact O-N 3.2Å |
| 90 | R | 61.9 | Low | 52.8 | Low | 246 Ų | 246 | 162.9 Ų | 162.9 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | | | trans | -67.6 | 91.8 | 178.7 | -62.8 | 174.3 | 94.6 | 179.4 | 6.7 | 108.4 | Q92 | R90-Q92 PolarHBondContact O-N 3.48Š|
| 91 | S | 44.5 | Very low | 53.4 | Low | 115 Ų | 115 | 164 Ų | 164 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -79.9 | 111.6 | 164.3 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | V89 R93 | V89-S91 VanDerWaalsContact C-N 3.35Å; V89-S91 PolarHBondContact O-N 3.2Å; S91-R93 PolarHBondContact O-N 3.48Å |
| 92 | Q | 46.5 | Very low | 54.1 | Low | 171 Ų | 171 | 163.5 Ų | 163.5 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | trans | -46.8 | 129.5 | 174.2 | -169.5 | 163.8 | 3.8 | 0 | 0 | 111.9 | R90 R94 | R90-Q92 PolarHBondContact O-N 3.48Å; Q92-R94 PolarHBondContact O-N 2.85Å |
| 93 | R | 52.6 | Low | 54.6 | Low | 201 Ų | 201 | 160.1 Ų | 160.1 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | trans | -49.3 | 106 | 171.8 | -178.6 | -178.5 | -172.6 | -101.7 | 8.3 | 110.5 | S91 | S91-R93 PolarHBondContact O-N 3.48Š|
| 94 | R | 55.9 | Low | 55.1 | Low | 230 Ų | 230 | 155.4 Ų | 155.4 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -125.5 | 102 | 155.3 | -80.1 | -169.8 | 174.3 | -109.1 | 0.8 | 109 | Q92 R96 | Q92-R94 PolarHBondContact O-N 2.85Å; R94-R96 PolarHBondContact O-N 2.89Å; R94-R96 VanDerWaalsContact O-N 3.08Å |
| 95 | R | 62.8 | Low | 56.1 | Low | 214 Ų | 214 | 154.7 Ų | 154.7 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -57.5 | 103.2 | 160.5 | -76.7 | 179.4 | 155.9 | -145.7 | -3.3 | 108.2 | | |
| 96 | R | 60.8 | Low | 56.9 | Low | 225 Ų | 225 | 159.3 Ų | 159.3 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | | | trans | -168.1 | 130.1 | 150.9 | -113.4 | 175.2 | 178.9 | -96 | 1 | 107.2 | R94 K98 | R94-R96 PolarHBondContact O-N 2.89Å; R94-R96 VanDerWaalsContact O-N 3.08Å; R96-K98 PolarHBondContact O-N 3.13Å |
| 97 | S | 59.9 | Low | 57.6 | Low | 98 Ų | 98 | 155.5 Ų | 155.5 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | -47.5 | 126.8 | 170.1 | 40.8 | 0 | 0 | 0 | 0 | 109 | S99 | S97-S99 PolarHBondContact O-N 2.75Š|
| 98 | K | 58.5 | Low | 58.4 | Low | 211 Ų | 211 | 157.8 Ų | 157.8 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | | | trans | -78 | 65.7 | 167.9 | -80.7 | 170.9 | 171.8 | 178.1 | 0 | 108.4 | R96 | R96-K98 PolarHBondContact O-N 3.13Š|
| 99 | S | 60.7 | Low | 58.6 | Low | 79 Ų | 79 | 162.4 Ų | 162.4 | 55% | 0.552 | 78% | 0.781 | S | S | * | * | | | trans | -78 | 130 | 150.3 | 9.6 | 0 | 0 | 0 | 0 | 106.1 | S97 I101 | S97-S99 PolarHBondContact O-N 2.75Å; S99-I101 PolarHBondContact O-N 3.46Å |
| 100 | P | 59.7 | Low | 58.6 | Low | 110 Ų | 110 | 161.8 Ų | 161.8 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | | | trans | -51.6 | 130.1 | 162.4 | -17 | 28.7 | 0 | 0 | 0 | 106.9 | L102 | P100-L102 PolarHBondContact O-N 3.21Š|
| 101 | I | 62.2 | Low | 57.8 | Low | 143 Ų | 143 | 152.3 Ų | 152.3 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | -69.2 | 87.4 | 171 | -59.3 | 169.6 | 0 | 0 | 0 | 104.9 | S99 H103 | S99-I101 PolarHBondContact O-N 3.46Å; I101-H103 VanDerWaalsContact C-N 3.33Å; I101-H103 PolarHBondContact O-N 2.98Å |
| 102 | L | 63.7 | Low | 57.9 | Low | 155 Ų | 155 | 152.9 Ų | 152.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -62.8 | 104.7 | 164.5 | -81.7 | 162 | 0 | 0 | 0 | 105.1 | P100 | P100-L102 PolarHBondContact O-N 3.21Š|
| 103 | H | 61.3 | Low | 57.7 | Low | 158 Ų | 158 | 153.7 Ų | 153.7 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 128.9 | 162.7 | -75 | -72.4 | 0 | 0 | 0 | 106.7 | I101 | I101-H103 VanDerWaalsContact C-N 3.33Å; I101-H103 PolarHBondContact O-N 2.98Å |
| 104 | P | 63.8 | Low | 57.6 | Low | 105 Ų | 105 | 152.8 Ų | 152.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 136.9 | 174.7 | 22.9 | -31.2 | 0 | 0 | 0 | 108 | K106 | P104-K106 PolarHBondContact O-N 3.03Å; P104-K106 VanDerWaalsContact O-N 3.13Å |
| 105 | P | 64.3 | Low | 57.2 | Low | 120 Ų | 120 | 147 Ų | 147 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 124.3 | 179.2 | 19.7 | -29.5 | 0 | 0 | 0 | 108.6 | F107 | P105-F107 VanDerWaalsContact C-N 3.3Å; P105-F107 PolarHBondContact O-N 3Å |
| 106 | K | 62.2 | Low | 56.2 | Low | 196 Ų | 196 | 142.3 Ų | 142.3 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | trans | -67.5 | 96.3 | 171.6 | -70.7 | 178 | 178.3 | 168.8 | 0 | 106.4 | P104 T108 | P104-K106 PolarHBondContact O-N 3.03Å; P104-K106 VanDerWaalsContact O-N 3.13Å; K106-T108 VanDerWaalsContact C-N 3.35Å; K106-T108 PolarHBondContact O-N 3.45Å |
| 107 | F | 63.8 | Low | 55.5 | Low | 169 Ų | 169 | 139.4 Ų | 139.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -62.2 | 103.6 | 165.3 | 60.1 | -90 | 0 | 0 | 0 | 106.6 | P105 Y109 | P105-F107 VanDerWaalsContact C-N 3.3Å; P105-F107 PolarHBondContact O-N 3Å; F107-Y109 VanDerWaalsContact C-N 3.27Å; F107-Y109 AromaticContact CD2-CD2 3.91Å; F107-Y109 HydrophobicContact CD2-CD2 3.91Å; F107-Y109 HydrophobicContact CE2-CD2 4.21Å; F107-Y109 PolarHBondContact O-N 3.25Å |
| 108 | T | 60.1 | Low | 54.6 | Low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -71.3 | 96.7 | 158.8 | 36.7 | 0 | 0 | 0 | 0 | 105.6 | K106 C110 | K106-T108 VanDerWaalsContact C-N 3.35Å; K106-T108 PolarHBondContact O-N 3.45Å; T108-C110 PolarHBondContact O-N 3.36Å |
| 109 | Y | 54 | Low | 53.8 | Low | 200 Ų | 200 | 134.3 Ų | 134.3 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | trans | -57.3 | 111.3 | 166.9 | -135.5 | -95.8 | 0 | 0 | 0 | 106.3 | F107 G111 | F107-Y109 VanDerWaalsContact C-N 3.27Å; F107-Y109 AromaticContact CD2-CD2 3.91Å; F107-Y109 HydrophobicContact CD2-CD2 3.91Å; F107-Y109 HydrophobicContact CE2-CD2 4.21Å; F107-Y109 PolarHBondContact O-N 3.25Å; Y109-G111 PolarHBondContact O-N 3.4Å |
| 110 | C | 51.2 | Low | 52.7 | Low | 125 Ų | 125 | 138.3 Ų | 138.3 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | -68 | 76.2 | 160.9 | -83.3 | 0 | 0 | 0 | 0 | 106.8 | T108 S112 | T108-C110 PolarHBondContact O-N 3.36Å; C110-S112 PolarHBondContact O-N 3.18Å; C110-S112 VanDerWaalsContact O-N 3.07Å |
| 111 | G | 44.6 | Very low | 51.7 | Low | 47 Ų | 47 | 138.5 Ų | 138.5 | 49% | 0.485 | 77% | 0.769 | S | S | . | * | | | trans | -63.3 | 107.1 | 161 | 0 | 0 | 0 | 0 | 0 | 106.5 | Y109 K113 | Y109-G111 PolarHBondContact O-N 3.4Å; G111-K113 VanDerWaalsContact C-N 3.31Å; G111-K113 PolarHBondContact O-N 3.08Å |
| 112 | S | 47.3 | Very low | 50.6 | Low | 127 Ų | 127 | 140.5 Ų | 140.5 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -56.2 | 99.9 | 165 | -164.5 | 0 | 0 | 0 | 0 | 107.1 | C110 M114 | C110-S112 PolarHBondContact O-N 3.18Å; C110-S112 VanDerWaalsContact O-N 3.07Å; S112-M114 PolarHBondContact O-N 3.44Å |
| 113 | K | 42.4 | Very low | 49.3 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -75.6 | 104.9 | 176.7 | -68.6 | -169.2 | 179.7 | 179.8 | 0 | 107.4 | G111 S115 | G111-K113 VanDerWaalsContact C-N 3.31Å; G111-K113 PolarHBondContact O-N 3.08Å; K113-S115 PolarHBondContact O-N 3.34Å |
| 114 | M | 50.9 | Low | 48.4 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 131.3 | 141.1 | -84 | -172.1 | 155 | 0 | 0 | 107.6 | S112 | S112-M114 PolarHBondContact O-N 3.44Š|
| 115 | S | 46.7 | Very low | 47.1 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 133.5 | 177.3 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | K113 | K113-S115 PolarHBondContact O-N 3.34Š|
| 116 | P | 42.8 | Very low | 45.5 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 130.1 | 164.1 | 31.3 | -27 | 0 | 0 | 0 | 110.2 | | |
| 117 | L | 45.1 | Very low | 44.9 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 144.2 | 165.7 | -169.6 | 68.2 | 0 | 0 | 0 | 109.8 | G119 | L117-G119 PolarHBondContact O-N 3.4Š|
| 118 | P | 41.5 | Very low | 43.1 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -78.2 | 108.8 | -166.5 | 30.2 | -32.4 | 0 | 0 | 0 | 111.9 | | |
| 119 | G | 40.9 | Very low | 42 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -112.7 | 99.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | L117 | L117-G119 PolarHBondContact O-N 3.4Š|
| 120 | H | 38.8 | Very low | 40.9 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -64.8 | 134.4 | 179.3 | 175.1 | -127.3 | 0 | 0 | 0 | 112.8 | | |
| 121 | L | 38.3 | Very low | 39.9 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 59% | 0.592 | 79% | 0.789 | S | S | * | * | | | trans | 145.9 | 119.4 | 130 | -81.2 | 152.8 | 0 | 0 | 0 | 116.3 | | |
| 122 | K | 38.4 | Very low | 39.1 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 71.3 | 102.8 | 135.8 | -75 | 179.5 | -178.8 | -179.7 | 0 | 120.4 | | |
| 123 | H | 36.2 | Very low | 38.4 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | | | trans | -35.9 | 138.3 | 145.5 | -63.6 | -103.4 | 0 | 0 | 0 | 115.2 | | |
| 124 | K | 43.9 | Very low | 37.9 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | | | trans | -142.2 | 134.9 | 138.1 | -97.5 | -169.5 | 172 | -173 | 0 | 109.5 | | |
| 125 | S | 35.6 | Very low | 37.1 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -92.2 | 139.2 | -175.8 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 126 | L | 31.3 | Very low | 36.6 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | | 55.8 | 161.5 | 127.6 | -160.7 | 66.1 | 0 | 0 | 0 | 120.1 | | |
| 127 | P | 48.6 | Very low | 36 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 61% | 0.61 | 79% | 0.794 | S | S | * | * | | | cis | -126.9 | -172.4 | -32 | 30.2 | -9.1 | 0 | 0 | 0 | 114.5 | | |
| 128 | E | 27.6 | Very low | 35.7 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | trans | 121.1 | 141.8 | 136.3 | -87 | -177.6 | 156.4 | 0 | 0 | 119.8 | | |
| 129 | A | 35.5 | Very low | 35.4 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | -101.5 | 164.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 130 | E | 31.3 | Very low | 35 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | | | trans | 146.1 | 119.4 | 150.1 | -83.7 | -166.9 | 159.4 | 0 | 0 | 107.5 | | |
| 131 | G | 29.5 | Very low | 34.7 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | | 131.2 | 112.4 | 83.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 132 | C | 28.9 | Very low | 34.5 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | | 90.7 | 113 | 96.2 | -153 | 0 | 0 | 0 | 0 | 113.9 | | |
| 133 | S | 31.2 | Very low | 34.4 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | 74.7 | 144.1 | 139.4 | 71.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 134 | S | 32.2 | Very low | 34.2 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | 69.7 | 146.1 | 161.9 | -90.7 | 0 | 0 | 0 | 0 | 117 | | |
| 135 | S | 34.7 | Very low | 33.7 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | | | cis | -173.9 | 161.9 | -15 | 56.6 | 0 | 0 | 0 | 0 | 104.7 | | |
| 136 | L | 36.1 | Very low | 33.4 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 21.8 | 118.3 | 151.4 | -95.2 | 97.9 | 0 | 0 | 0 | 118.1 | | |
| 137 | E | 30.3 | Very low | 33.5 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | | -170 | 128.6 | 123.3 | -110.8 | 176.6 | 166.1 | 0 | 0 | 111.3 | | |
| 138 | I | 39.7 | Very low | 32.6 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -95.8 | 138.9 | 159.8 | -62 | 166.7 | 0 | 0 | 0 | 105.7 | | |
| 139 | P | 35.4 | Very low | 33 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -130.8 | 138 | 140.7 | 28.2 | -12 | 0 | 0 | 0 | 112.9 | | |
| 140 | A | 30.5 | Very low | 33 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | | | trans | -72.8 | 148 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 141 | K | 33.1 | Very low | 33.4 | Very low | 184 Ų | 184 | 133 Ų | 133 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | | 158.6 | 131.3 | 117.2 | -86 | 167.2 | -176.6 | 171.5 | 0 | 113.8 | | |
| 142 | K | 34.9 | Very low | 34.5 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | 69.6 | 109.3 | 136.2 | -65.3 | -179 | 176.2 | -167.8 | 0 | 121.5 | | |
| 143 | E | 35.3 | Very low | 35.3 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | | 29.5 | 119.3 | 128.2 | -48.5 | -162.7 | 157.2 | 0 | 0 | 121.2 | | |
| 144 | L | 31.8 | Very low | 35.6 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | | 167.3 | 117.6 | 103.5 | -90.2 | 166.4 | 0 | 0 | 0 | 111.1 | | |
| 145 | L | 34 | Very low | 36.1 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | 10 | 126.6 | 153.6 | -50.5 | 172.4 | 0 | 0 | 0 | 120.6 | | |
| 146 | S | 30.6 | Very low | 36.3 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | | 155.1 | 143.2 | 94.5 | -165 | 0 | 0 | 0 | 0 | 114.9 | | |
| 147 | S | 32.1 | Very low | 36.5 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 93.1 | 112.8 | 153.4 | -155 | 0 | 0 | 0 | 0 | 120.4 | | |
| 148 | G | 30.2 | Very low | 36.6 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 175.8 | 91 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 149 | H | 36.7 | Very low | 36.6 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | | | trans | -42.8 | 131.5 | -174.8 | -80.4 | -141.8 | 0 | 0 | 0 | 115.9 | | |
| 150 | S | 35.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -118.1 | 130.3 | 153.1 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 151 | S | 39.9 | Very low | 36.9 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 142.9 | -179.7 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | V153 | S151-V153 PolarHBondContact O-N 3.48Š|
| 152 | P | 51.7 | Low | 37 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 121.5 | 173.3 | 29.3 | -30.3 | 0 | 0 | 0 | 110.1 | | |
| 153 | V | 45.5 | Very low | 37.1 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 133.8 | 162.2 | 167 | 0 | 0 | 0 | 0 | 108 | S151 | S151-V153 PolarHBondContact O-N 3.48Š|
| 154 | F | 37.1 | Very low | 37.2 | Very low | 208 Ų | 208 | 129.6 Ų | 129.6 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -53.9 | 140.6 | 178.9 | -107.9 | -106.5 | 0 | 0 | 0 | 112.9 | | |
| 155 | G | 43 | Very low | 37.2 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 106.9 | 40 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 156 | G | 39.8 | Very low | 37.2 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -126.5 | 75.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G158 | G156-G158 PolarHBondContact O-N 3.1Š|
| 157 | A | 40.6 | Very low | 37.2 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | | | trans | -75.6 | 107.9 | 168 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 158 | G | 32.2 | Very low | 37 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | -64.5 | 134.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | G156 | G156-G158 PolarHBondContact O-N 3.1Š|
| 159 | Y | 38.3 | Very low | 37 | Very low | 215 Ų | 215 | 127.2 Ų | 127.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -83.2 | 121.7 | 164.2 | 63.6 | -85.2 | 0 | 0 | 0 | 107.5 | | |
| 160 | E | 37.9 | Very low | 36.6 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 59% | 0.589 | 78% | 0.783 | S | S | * | * | | | trans | -105.7 | 119 | 167.8 | -156.5 | -81.6 | -171.3 | 0 | 0 | 106.2 | H162 | E160-H162 PolarHBondContact O-N 3.21Å; E160-H162 IonicContact OE1-CE1 3.34Å; E160-H162 PolarHBondContact OE1-CE1 3.36Å; E160-H162 IonicContact OE1-ND1 3.32Å; E160-H162 PolarHBondContact OE1-ND1 3.47Å; E160-H162 IonicContact OE2-CD2 3.63Å; E160-H162 IonicContact OE2-CE1 3.06Å; E160-H162 PolarHBondContact OE2-CE1 2.98Å; E160-H162 IonicContact OE2-CG 3.23Å; E160-H162 VanDerWaalsContact OE2-CG 3.23Å; E160-H162 PolarHBondContact OE2-N 3.41Å; E160-H162 IonicContact OE2-ND1 2.84Å; E160-H162 PolarHBondContact OE2-ND1 3.38Å; E160-H162 IonicContact OE2-NE2 3.57Å |
| 161 | P | 34.9 | Very low | 36.9 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | | | trans | -90.1 | 98.9 | 175.7 | 31.1 | -25.8 | 0 | 0 | 0 | 110.1 | I163 | P161-I163 PolarHBondContact O-N 3.45Š|
| 162 | H | 34.7 | Very low | 36.4 | Very low | 161 Ų | 161 | 124 Ų | 124 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | | | trans | -69.5 | 108.5 | 166.9 | -68.5 | -46.3 | 0 | 0 | 0 | 110.1 | E160 | E160-H162 PolarHBondContact O-N 3.21Å; E160-H162 IonicContact OE1-CE1 3.34Å; E160-H162 PolarHBondContact OE1-CE1 3.36Å; E160-H162 IonicContact OE1-ND1 3.32Å; E160-H162 PolarHBondContact OE1-ND1 3.47Å; E160-H162 IonicContact OE2-CD2 3.63Å; E160-H162 IonicContact OE2-CE1 3.06Å; E160-H162 PolarHBondContact OE2-CE1 2.98Å; E160-H162 IonicContact OE2-CG 3.23Å; E160-H162 VanDerWaalsContact OE2-CG 3.23Å; E160-H162 PolarHBondContact OE2-N 3.41Å; E160-H162 IonicContact OE2-ND1 2.84Å; E160-H162 PolarHBondContact OE2-ND1 3.38Å; E160-H162 IonicContact OE2-NE2 3.57Å |
| 163 | I | 38.4 | Very low | 35.3 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 125.7 | 162.6 | -61.1 | -174.8 | 0 | 0 | 0 | 108.1 | P161 | P161-I163 PolarHBondContact O-N 3.45Š|
| 164 | P | 36.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 118.9 | 158.5 | 30.9 | -21.2 | 0 | 0 | 0 | 109.8 | | |
| 165 | A | 31.2 | Very low | 34.1 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 134 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 166 | A | 34 | Very low | 33.2 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | 94.8 | 132.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 167 | S | 31.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 127 Ų | 127 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | 68.9 | 138.9 | 151 | 65.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 168 | G | 28 | Very low | 32 | Very low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | cis | 142.5 | 146.4 | 18.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 169 | E | 30.5 | Very low | 32.3 | Very low | 205 Ų | 205 | 129.2 Ų | 129.2 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | | | trans | 84.6 | 119.2 | 165.3 | -50.6 | -173.9 | 145.3 | 0 | 0 | 118.8 | | |
| 170 | G | 27.4 | Very low | 31.9 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -79.2 | 177.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 171 | P | 41.7 | Very low | 31.6 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | | -145.8 | 160.4 | 106.6 | 31.3 | -12.8 | 0 | 0 | 0 | 115.8 | | |
| 172 | T | 29.5 | Very low | 31.6 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | | | trans | -56.7 | 145.7 | 170.2 | 48.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 173 | A | 29.6 | Very low | 31.4 | Very low | 111 Ų | 111 | 133 Ų | 133 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -150.2 | 149.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 174 | K | 26.8 | Very low | 31 | Very low | 188 Ų | 188 | 131.5 Ų | 131.5 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | | | trans | -112.4 | 168.7 | -156.3 | -125.2 | -176.4 | -175 | -176 | 0 | 111.1 | | |
| 175 | L | 29.2 | Very low | 30.8 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | | | trans | 76 | 145.1 | 153.2 | -68.5 | 152.4 | 0 | 0 | 0 | 116.4 | | |
| 176 | E | 24.5 | Very low | 30.9 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | cis | -179.4 | 156.7 | -9.8 | -160.2 | 178.5 | 174.6 | 0 | 0 | 104.9 | | |
| 177 | G | 26.3 | Very low | 30.9 | Very low | 75 Ų | 75 | 140.1 Ų | 140.1 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 139 | 84.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 178 | S | 29.7 | Very low | 30.8 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -74.6 | 164.4 | 153.7 | -163.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 179 | P | 38.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | | | | -149.9 | 143.5 | 85.6 | 32.3 | -10.8 | 0 | 0 | 0 | 117.7 | | |
| 180 | R | 29.1 | Very low | 31.9 | Very low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | 83.9 | 129.3 | 134.2 | -76 | -170 | 171 | -174.6 | -1.5 | 123.6 | | |
| 181 | Q | 32 | Very low | 32.1 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -73.3 | 179.1 | 166.4 | -53.2 | 173.1 | -74.5 | 0 | 0 | 112.9 | | |
| 182 | P | 35.2 | Very low | 31.7 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | | | | -137 | 138.1 | 82.9 | 19.7 | 3 | 0 | 0 | 0 | 113.6 | | |
| 183 | L | 30.3 | Very low | 31.9 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | | | | 68.6 | 110.1 | 87.7 | -168.1 | 71.1 | 0 | 0 | 0 | 115.6 | | |
| 184 | S | 30.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | | -172.8 | 120.5 | 127.9 | 20.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 185 | D | 30.7 | Very low | 32.1 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -68.4 | 141.3 | 156 | -83.9 | -90.3 | 0 | 0 | 0 | 109.5 | | |
| 186 | D | 33.1 | Very low | 32.3 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | | -156.1 | 144.3 | 127.7 | -135.8 | -57.2 | 0 | 0 | 0 | 111.2 | | |
| 187 | K | 35.2 | Very low | 32.5 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -82.6 | 136.2 | 177.2 | -83.9 | -179.1 | 159 | -174.5 | 0 | 108.3 | | |
| 188 | D | 29.4 | Very low | 33.3 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -158.4 | 124.7 | 141.8 | -100.4 | -44.9 | 0 | 0 | 0 | 111 | | |
| 189 | V | 40 | Very low | 33.4 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -95.1 | 133.2 | 165.6 | 169.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 190 | P | 40.5 | Very low | 33.2 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | -132.2 | 146.5 | 131.2 | 29.5 | -14.4 | 0 | 0 | 0 | 113.2 | | |
| 191 | E | 31.8 | Very low | 33.8 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -72.3 | 145.9 | -178.1 | -175.1 | -179.9 | 126.9 | 0 | 0 | 113.1 | | |
| 192 | A | 34.5 | Very low | 34.1 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | 61.8 | 110.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 193 | A | 32.9 | Very low | 34.6 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | | 176.8 | 117.3 | 110 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 194 | H | 29.3 | Very low | 35.7 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | | | trans | 44.9 | 115.4 | 142.5 | -77.5 | -88.1 | 0 | 0 | 0 | 122.7 | | |
| 195 | C | 31 | Very low | 37.2 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | | | | 90.5 | 121.5 | 124.3 | -67.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 196 | V | 34 | Very low | 38.4 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | 78.8 | 77.7 | 156.8 | -155.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 197 | G | 29.4 | Very low | 40.1 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | -71.3 | 132.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 198 | A | 41.3 | Very low | 42.2 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -66.2 | 166.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 199 | E | 33.3 | Very low | 44.1 | Very low | 194 Ų | 194 | 123.3 Ų | 123.3 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | | | trans | 90.8 | 105 | 163.6 | -48.4 | -148 | 108.6 | 0 | 0 | 117.5 | | |
| 200 | A | 34.7 | Very low | 45.5 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | | 179.2 | 121.8 | 105.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | T202 | A200-T202 PolarHBondContact O-N 3.25Š|
| 201 | K | 42 | Very low | 46.8 | Very low | 219 Ų | 219 | 121.9 Ų | 121.9 | 95% | 0.952 | 74% | 0.735 | S | S | * | * | | | trans | -58.9 | 97.6 | 172 | -74.5 | 169.4 | 175.3 | 171.6 | 0 | 109.4 | G203 | K201-G203 PolarHBondContact O-N 3.27Š|
| 202 | T | 37 | Very low | 48.2 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | | | trans | -73.5 | 116.4 | 164 | -29.9 | 0 | 0 | 0 | 0 | 106.9 | A200 A204 | A200-T202 PolarHBondContact O-N 3.25Å; T202-A204 PolarHBondContact O-N 3.43Å; T202-A204 VanDerWaalsContact O-N 3.13Å |
| 203 | G | 46.6 | Very low | 49.5 | Very low | 62 Ų | 62 | 116 Ų | 116 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | | | trans | -51.9 | 120.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | K201 V205 | K201-G203 PolarHBondContact O-N 3.27Å; G203-V205 PolarHBondContact O-N 3.21Å |
| 204 | A | 52.8 | Low | 51 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | | | trans | -60.4 | 106.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | T202 P206 | T202-A204 PolarHBondContact O-N 3.43Å; T202-A204 VanDerWaalsContact O-N 3.13Å; A204-P206 VanDerWaalsContact O-CD 3.29Å; A204-P206 WeakPolarHBondContact O-CD 3.42Å |
| 205 | V | 61.6 | Low | 52.5 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 75% | 0.745 | 68% | 0.681 | S | S | * | * | | | trans | -62.1 | 117 | 169.8 | 177.7 | 0 | 0 | 0 | 0 | 106.5 | G203 S207 | G203-V205 PolarHBondContact O-N 3.21Å; V205-S207 PolarHBondContact O-N 3.08Å |
| 206 | P | 56.6 | Low | 53.8 | Low | 58 Ų | 58 | 117.4 Ų | 117.4 | 38% | 0.377 | 68% | 0.683 | S | S | . | * | | | trans | -65.8 | 106.2 | 178.5 | 25.3 | -31.4 | 0 | 0 | 0 | 108.6 | A204 D208 L212 | A204-P206 VanDerWaalsContact O-CD 3.29Å; A204-P206 WeakPolarHBondContact O-CD 3.42Å; P206-D208 PolarHBondContact O-N 3.17Å; P206-L212 HydrophobicContact CB-CD2 4.23Å; P206-L212 HydrophobicContact CG-CD2 3.63Å |
| 207 | S | 67.7 | Low | 55 | Low | 111 Ų | 111 | 118.2 Ų | 118.2 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | | | trans | -74 | -10.9 | 180 | -81.5 | 0 | 0 | 0 | 0 | 114.1 | V205 | V205-S207 PolarHBondContact O-N 3.08Š|
| 208 | D | 78.6 | Confident | 56.4 | Low | 101 Ų | 101 | 117.1 Ų | 117.1 | 54% | 0.54 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -117.9 | 138.3 | -171.7 | -65 | -18.2 | 0 | 0 | 0 | 113.2 | P206 R210 S211 L212 | P206-D208 PolarHBondContact O-N 3.17Å; D208-R210 PolarHBondContact O-N 3.47Å; D208-R210 VanDerWaalsContact O-N 3.14Å; D208-S211 WeakPolarHBondContact O-CA 3.46Å; D208-S211 WeakPolarHBondContact O-CB 3.14Å; D208-S211 PolarHBondContact O-N 3.07Å; D208-L212 PolarHBondContact O-N 3.23Å |
| 209 | F | 69.4 | Low | 57.3 | Low | 185 Ų | 185 | 116.9 Ų | 116.9 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -55.8 | -31.3 | 176 | -69.5 | -82.1 | 0 | 0 | 0 | 113.5 | S211 L212 S213 | F209-S211 VanDerWaalsContact C-N 3.31Å; F209-S211 PolarHBondContact O-N 3.19Å; F209-L212 PolarHBondContact O-N 3.4Å; F209-S213 PolarHBondContact O-N 2.88Å; F209-S213 VanDerWaalsContact O-N 3.11Å |
| 210 | R | 70 | Confident | 58.8 | Low | 177 Ų | 177 | 110.1 Ų | 110.1 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69 | -29 | 175.1 | -164.2 | -174.1 | 79.3 | 171.4 | 1.9 | 112.7 | D208 S213 K214 | D208-R210 PolarHBondContact O-N 3.47Å; D208-R210 VanDerWaalsContact O-N 3.14Å; R210-S213 PolarHBondContact O-OG 3.11Å; R210-S213 VanDerWaalsContact O-OG 3.1Å; R210-K214 WeakPolarHBondContact O-CG 3.49Å; R210-K214 PolarHBondContact O-N 2.77Å |
| 211 | S | 67.3 | Low | 60.4 | Low | 50 Ų | 50 | 112 Ų | 112 | 35% | 0.35 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -78.4 | -32 | 178 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | D208 F209 L215 | D208-S211 WeakPolarHBondContact O-CA 3.46Å; D208-S211 WeakPolarHBondContact O-CB 3.14Å; D208-S211 PolarHBondContact O-N 3.07Å; F209-S211 VanDerWaalsContact C-N 3.31Å; F209-S211 PolarHBondContact O-N 3.19Å; S211-L215 PolarHBondContact O-N 3.45Å |
| 212 | L | 61.1 | Low | 61.8 | Low | 91 Ų | 91 | 103.5 Ų | 103.5 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.7 | -42.3 | 172 | -62 | 176.4 | 0 | 0 | 0 | 112.2 | P206 D208 F209 K214 L215 | P206-L212 HydrophobicContact CB-CD2 4.23Å; P206-L212 HydrophobicContact CG-CD2 3.63Å; D208-L212 PolarHBondContact O-N 3.23Å; F209-L212 PolarHBondContact O-N 3.4Å; L212-K214 PolarHBondContact O-N 3.41Å; L212-L215 PolarHBondContact O-N 3.39Å |
| 213 | S | 62.6 | Low | 63.3 | Low | 59 Ų | 59 | 102.8 Ų | 102.8 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.8 | -37.3 | -179.5 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | F209 R210 L215 H216 E217 | F209-S213 PolarHBondContact O-N 2.88Å; F209-S213 VanDerWaalsContact O-N 3.11Å; R210-S213 PolarHBondContact O-OG 3.11Å; R210-S213 VanDerWaalsContact O-OG 3.1Å; S213-L215 VanDerWaalsContact C-N 3.33Å; S213-L215 PolarHBondContact O-N 3.49Å; S213-H216 PolarHBondContact O-N 3.14Å; S213-E217 PolarHBondContact O-N 2.95Å; S213-E217 VanDerWaalsContact O-N 3.16Å |
| 214 | K | 64.3 | Low | 64.8 | Low | 117 Ų | 117 | 102 Ų | 102 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.3 | -27.5 | 178.7 | -72.7 | 178.5 | 179 | -168.2 | 0 | 113.6 | R210 L212 H216 | R210-K214 WeakPolarHBondContact O-CG 3.49Å; R210-K214 PolarHBondContact O-N 2.77Å; L212-K214 PolarHBondContact O-N 3.41Å; K214-H216 PolarHBondContact O-N 3.23Å |
| 215 | L | 60.8 | Low | 65.2 | Low | 123 Ų | 123 | 102.3 Ų | 102.3 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.3 | -24.2 | 174.3 | -166.2 | 135.1 | 0 | 0 | 0 | 111.8 | S211 L212 S213 | S211-L215 PolarHBondContact O-N 3.45Å; L212-L215 PolarHBondContact O-N 3.39Å; S213-L215 VanDerWaalsContact C-N 3.33Å; S213-L215 PolarHBondContact O-N 3.49Å |
| 216 | H | 59 | Low | 65.2 | Low | 162 Ų | 162 | 104 Ų | 104 | 75% | 0.75 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -89.5 | -29 | 176.8 | -178 | -92 | 0 | 0 | 0 | 113.4 | S213 K214 G218 | S213-H216 PolarHBondContact O-N 3.14Å; K214-H216 PolarHBondContact O-N 3.23Å; H216-G218 VanDerWaalsContact C-N 3.34Å; H216-G218 PolarHBondContact O-N 2.95Å |
| 217 | E | 58.3 | Low | 65.4 | Low | 160 Ų | 160 | 107.6 Ų | 107.6 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.3 | -26.2 | -179.8 | -78.8 | -173.6 | 173 | 0 | 0 | 114 | S213 G219 | S213-E217 PolarHBondContact O-N 2.95Å; S213-E217 VanDerWaalsContact O-N 3.16Å; E217-G219 PolarHBondContact O-N 3.13Å |
| 218 | G | 58.7 | Low | 65.4 | Low | 52 Ų | 52 | 110.7 Ų | 110.7 | 54% | 0.536 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -84.4 | 103.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | H216 G220 | H216-G218 VanDerWaalsContact C-N 3.34Å; H216-G218 PolarHBondContact O-N 2.95Å; G218-G220 PolarHBondContact O-N 3.37Å |
| 219 | G | 60.4 | Low | 65.2 | Low | 87 Ų | 87 | 107.8 Ų | 107.8 | 90% | 0.897 | 63% | 0.627 | S | S | * | * | | | trans | -60.4 | 56.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | E217 | E217-G219 PolarHBondContact O-N 3.13Š|
| 220 | G | 65.9 | Low | 65.1 | Low | 52 Ų | 52 | 106.5 Ų | 106.5 | 54% | 0.536 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -83.9 | 156 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | G218 | G218-G220 PolarHBondContact O-N 3.37Š|
| 221 | P | 67.2 | Low | 65.2 | Low | 130 Ų | 130 | 100.4 Ų | 100.4 | 84% | 0.844 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143.3 | 173.3 | 26.1 | -32.8 | 0 | 0 | 0 | 109.4 | | |
| 222 | C | 72 | Confident | 65.2 | Low | 39 Ų | 39 | 102.7 Ų | 102.7 | 26% | 0.264 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 142.9 | -178.4 | 82.3 | 0 | 0 | 0 | 0 | 110.4 | C224 C229 C231 | C222-C224 HydrophobicContact CB-CB 4.48Å; C222-C224 WeakPolarHBondContact CB-SG 3.44Å; C222-C224 PolarHBondContact O-N 2.9Å; C222-C224 WeakPolarHBondContact SG-CB 3.31Å; C222-C224 CovalentContact SG-SG 2.05Å; C222-C224 PolarHBondContact SG-SG 2.76Å; C222-C229 PolarHBondContact SG-SG 3.03Å; C222-C231 HydrophobicContact CB-CB 3.86Å |
| 223 | P | 68.4 | Low | 65.5 | Low | 119 Ų | 119 | 100.8 Ų | 100.8 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -71 | 13.8 | -179.8 | 29.7 | -35.2 | 0 | 0 | 0 | 113.4 | A225 | P223-A225 PolarHBondContact O-N 3.04Š|
| 224 | C | 77.4 | Confident | 65.7 | Low | 46 Ų | 46 | 106.2 Ų | 106.2 | 31% | 0.311 | 63% | 0.634 | S | S | . | * | | | trans | -72.6 | 105.4 | -180 | -19 | 0 | 0 | 0 | 0 | 109.6 | C222 Q226 C229 C231 | C222-C224 HydrophobicContact CB-CB 4.48Å; C222-C224 WeakPolarHBondContact CB-SG 3.44Å; C222-C224 PolarHBondContact O-N 2.9Å; C222-C224 WeakPolarHBondContact SG-CB 3.31Å; C222-C224 CovalentContact SG-SG 2.05Å; C222-C224 PolarHBondContact SG-SG 2.76Å; C224-Q226 PolarHBondContact O-N 2.87Å; C224-C229 HydrophobicContact CB-CB 3.23Å; C224-C229 WeakPolarHBondContact SG-CB 3.3Å; C224-C229 VanDerWaalsContact SG-SG 3.69Å; C224-C231 PolarHBondContact SG-SG 3.38Å |
| 225 | A | 62 | Low | 65.7 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 88% | 0.876 | 64% | 0.64 | S | S | * | * | | | trans | -79.3 | 12.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P223 | P223-A225 PolarHBondContact O-N 3.04Š|
| 226 | Q | 61.4 | Low | 65.9 | Low | 160 Ų | 160 | 104.8 Ų | 104.8 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -126.8 | 141.9 | -175.2 | -63.5 | -174.2 | 0.3 | 0 | 0 | 110.7 | C224 E228 C229 | C224-Q226 PolarHBondContact O-N 2.87Å; Q226-E228 PolarHBondContact O-N 3.04Å; Q226-C229 PolarHBondContact O-N 2.91Å |
| 227 | S | 60.9 | Low | 66.7 | Low | 132 Ų | 132 | 101.1 Ų | 101.1 | 92% | 0.923 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 10.9 | -174.2 | 47.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 228 | E | 68.6 | Low | 67.2 | Low | 177 Ų | 177 | 102.6 Ų | 102.6 | 83% | 0.827 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 36.7 | -172.8 | -128.4 | 156.5 | -152.7 | 0 | 0 | 111.2 | Q226 Q230 | Q226-E228 PolarHBondContact O-N 3.04Å; E228-Q230 PolarHBondContact O-N 3.22Å |
| 229 | C | 73.8 | Confident | 68 | Low | 40 Ų | 40 | 105.7 Ų | 105.7 | 27% | 0.27 | 65% | 0.645 | S | S | . | * | | | trans | -79.9 | 121.1 | 174.8 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | C222 C224 Q226 C231 | C222-C229 PolarHBondContact SG-SG 3.03Å; C224-C229 HydrophobicContact CB-CB 3.23Å; C224-C229 WeakPolarHBondContact SG-CB 3.3Å; C224-C229 VanDerWaalsContact SG-SG 3.69Å; Q226-C229 PolarHBondContact O-N 2.91Å; C229-C231 PolarHBondContact O-N 3.12Å |
| 230 | Q | 66.9 | Low | 68.2 | Low | 158 Ų | 158 | 110.7 Ų | 110.7 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -75.8 | 3 | 175.5 | -63.6 | -178.6 | 26.2 | 0 | 0 | 112.9 | E228 T232 G233 W234 | E228-Q230 PolarHBondContact O-N 3.22Å; Q230-T232 PolarHBondContact O-N 2.77Å; Q230-T232 VanDerWaalsContact O-N 3.09Å; Q230-G233 PolarHBondContact O-N 3.45Å; Q230-W234 VanDerWaalsContact O-CD1 3.25Å |
| 231 | C | 72.8 | Confident | 68.2 | Low | 49 Ų | 49 | 111.9 Ų | 111.9 | 33% | 0.331 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -56.9 | -27.4 | -178.8 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | C222 C224 C229 G233 W234 Q235 | C222-C231 HydrophobicContact CB-CB 3.86Å; C224-C231 PolarHBondContact SG-SG 3.38Å; C229-C231 PolarHBondContact O-N 3.12Å; C231-G233 PolarHBondContact O-N 3.08Å; C231-W234 PolarHBondContact O-N 3.45Å; C231-Q235 PolarHBondContact O-N 2.79Å; C231-Q235 PolarHBondContact O-NE2 2.91Å |
| 232 | T | 65.7 | Low | 67.6 | Low | 97 Ų | 97 | 111.8 Ų | 111.8 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -56.3 | -35.8 | 173.3 | 51 | 0 | 0 | 0 | 0 | 113.1 | Q230 W234 | Q230-T232 PolarHBondContact O-N 2.77Å; Q230-T232 VanDerWaalsContact O-N 3.09Å; T232-W234 PolarHBondContact O-N 3.39Å |
| 233 | G | 69 | Low | 67.3 | Low | 51 Ų | 51 | 114 Ų | 114 | 53% | 0.526 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -70.4 | -17.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q230 C231 | Q230-G233 PolarHBondContact O-N 3.45Å; C231-G233 PolarHBondContact O-N 3.08Å |
| 234 | W | 65.7 | Low | 66.9 | Low | 174 Ų | 174 | 110.5 Ų | 110.5 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -96.7 | -13.9 | -177.6 | -61.4 | 84.8 | 0 | 0 | 0 | 113.4 | Q230 C231 T232 G236 I237 | Q230-W234 VanDerWaalsContact O-CD1 3.25Å; C231-W234 PolarHBondContact O-N 3.45Å; T232-W234 PolarHBondContact O-N 3.39Å; W234-G236 PolarHBondContact O-N 3.07Å; W234-I237 HydrophobicContact CD2-CD1 3.87Å; W234-I237 HydrophobicContact CE3-CD1 3.41Å; W234-I237 VanDerWaalsContact CE3-CD1 3.41Å; W234-I237 HydrophobicContact CG-CD1 4.38Å; W234-I237 HydrophobicContact CZ3-CD1 3.8Å; W234-I237 PolarHBondContact O-N 3.42Å |
| 235 | Q | 64.5 | Low | 66.2 | Low | 138 Ų | 138 | 111.5 Ų | 111.5 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -20.8 | 179.3 | -76.7 | 135.1 | 40.9 | 0 | 0 | 113.5 | C231 | C231-Q235 PolarHBondContact O-N 2.79Å; C231-Q235 PolarHBondContact O-NE2 2.91Å |
| 236 | G | 64.8 | Low | 66.4 | Low | 72 Ų | 72 | 115.6 Ų | 115.6 | 74% | 0.742 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 2.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W234 E238 | W234-G236 PolarHBondContact O-N 3.07Å; G236-E238 PolarHBondContact O-N 2.96Å |
| 237 | I | 76.1 | Confident | 66.5 | Low | 84 Ų | 84 | 113.3 Ų | 113.3 | 43% | 0.431 | 61% | 0.61 | S | S | . | * | | | trans | -84.1 | 105.5 | 178.6 | -64.5 | 174.7 | 0 | 0 | 0 | 107.5 | W234 V239 | W234-I237 HydrophobicContact CD2-CD1 3.87Å; W234-I237 HydrophobicContact CE3-CD1 3.41Å; W234-I237 VanDerWaalsContact CE3-CD1 3.41Å; W234-I237 HydrophobicContact CG-CD1 4.38Å; W234-I237 HydrophobicContact CZ3-CD1 3.8Å; W234-I237 PolarHBondContact O-N 3.42Å; I237-V239 VanDerWaalsContact C-N 3.27Å; I237-V239 HydrophobicContact CG2-CG2 4.2Å; I237-V239 PolarHBondContact O-N 3.27Å |
| 238 | E | 69.3 | Low | 66.7 | Low | 191 Ų | 191 | 111.4 Ų | 111.4 | 89% | 0.893 | 59% | 0.588 | S | S | * | * | | | trans | -68.9 | 88.4 | 172.5 | -162.9 | 175 | -160.9 | 0 | 0 | 108.5 | G236 Y240 | G236-E238 PolarHBondContact O-N 2.96Å; E238-Y240 PolarHBondContact O-N 3.08Å; E238-Y240 VanDerWaalsContact O-N 3.11Å |
| 239 | V | 75.6 | Confident | 66.5 | Low | 117 Ų | 117 | 108.3 Ų | 108.3 | 71% | 0.709 | 58% | 0.577 | S | S | * | * | | | trans | -67.1 | 111.1 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | I237 S241 | I237-V239 VanDerWaalsContact C-N 3.27Å; I237-V239 HydrophobicContact CG2-CG2 4.2Å; I237-V239 PolarHBondContact O-N 3.27Å; V239-S241 PolarHBondContact O-N 3.41Å |
| 240 | Y | 63.3 | Low | 66.2 | Low | 193 Ų | 193 | 109.8 Ų | 109.8 | 76% | 0.757 | 59% | 0.588 | S | S | * | * | | | trans | -51 | 102.4 | 176.3 | -179.4 | -106.9 | 0 | 0 | 0 | 110 | E238 F242 | E238-Y240 PolarHBondContact O-N 3.08Å; E238-Y240 VanDerWaalsContact O-N 3.11Å; Y240-F242 HydrophobicContact CD1-CD2 4.47Å; Y240-F242 AromaticContact CE1-CD2 3.74Å; Y240-F242 HydrophobicContact CE1-CD2 3.74Å; Y240-F242 HydrophobicContact CE1-CE2 4.3Å; Y240-F242 PolarHBondContact O-N 3.17Å |
| 241 | S | 66.5 | Low | 65.7 | Low | 77 Ų | 77 | 107.9 Ų | 107.9 | 54% | 0.538 | 58% | 0.579 | S | S | . | * | | | trans | -81.3 | 115.1 | -178.2 | 81.9 | 0 | 0 | 0 | 0 | 108.9 | V239 T243 | V239-S241 PolarHBondContact O-N 3.41Å; S241-T243 PolarHBondContact O-N 3.17Å; S241-T243 PolarHBondContact OG-OG1 3.09Å |
| 242 | F | 55.2 | Low | 65.2 | Low | 127 Ų | 127 | 108.6 Ų | 108.6 | 56% | 0.557 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -78.5 | 33 | -179.3 | -155.1 | -126.9 | 0 | 0 | 0 | 112.6 | Y240 G244 L245 | Y240-F242 HydrophobicContact CD1-CD2 4.47Å; Y240-F242 AromaticContact CE1-CD2 3.74Å; Y240-F242 HydrophobicContact CE1-CD2 3.74Å; Y240-F242 HydrophobicContact CE1-CE2 4.3Å; Y240-F242 PolarHBondContact O-N 3.17Å; F242-G244 PolarHBondContact O-N 3.02Å; F242-L245 HydrophobicContact CD1-CB 4.2Å; F242-L245 HydrophobicContact CD1-CD1 3.8Å; F242-L245 HydrophobicContact CD1-CG 3.65Å; F242-L245 HydrophobicContact CD2-CG 4.25Å; F242-L245 HydrophobicContact CE1-CB 4.15Å; F242-L245 HydrophobicContact CE1-CD1 2.94Å; F242-L245 HydrophobicContact CE1-CD2 4.29Å; F242-L245 HydrophobicContact CE1-CG 3.23Å; F242-L245 HydrophobicContact CE2-CD1 4.16Å; F242-L245 HydrophobicContact CE2-CD2 4.17Å; F242-L245 HydrophobicContact CE2-CG 3.83Å; F242-L245 HydrophobicContact CG-CG 4.19Å; F242-L245 HydrophobicContact CZ-CD1 3.17Å; F242-L245 HydrophobicContact CZ-CD2 3.9Å; F242-L245 HydrophobicContact CZ-CG 3.33Å |
| 243 | T | 65.1 | Low | 65.1 | Low | 87 Ų | 87 | 110.5 Ų | 110.5 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -69.5 | -19.2 | -177.8 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | S241 L245 | S241-T243 PolarHBondContact O-N 3.17Å; S241-T243 PolarHBondContact OG-OG1 3.09Å; T243-L245 VanDerWaalsContact C-N 3.32Å; T243-L245 PolarHBondContact O-N 3.36Å |
| 244 | G | 59.6 | Low | 64.8 | Low | 44 Ų | 44 | 116.1 Ų | 116.1 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -69 | -18.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | F242 R246 | F242-G244 PolarHBondContact O-N 3.02Å; G244-R246 VanDerWaalsContact C-N 3.32Å; G244-R246 PolarHBondContact O-N 3.22Å |
| 245 | L | 63.5 | Low | 64.5 | Low | 67 Ų | 67 | 113.4 Ų | 113.4 | 35% | 0.351 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -75.7 | -18.9 | -179.1 | -78.7 | -143.3 | 0 | 0 | 0 | 114.6 | F242 T243 N247 I248 L249 | F242-L245 HydrophobicContact CD1-CB 4.2Å; F242-L245 HydrophobicContact CD1-CD1 3.8Å; F242-L245 HydrophobicContact CD1-CG 3.65Å; F242-L245 HydrophobicContact CD2-CG 4.25Å; F242-L245 HydrophobicContact CE1-CB 4.15Å; F242-L245 HydrophobicContact CE1-CD1 2.94Å; F242-L245 HydrophobicContact CE1-CD2 4.29Å; F242-L245 HydrophobicContact CE1-CG 3.23Å; F242-L245 HydrophobicContact CE2-CD1 4.16Å; F242-L245 HydrophobicContact CE2-CD2 4.17Å; F242-L245 HydrophobicContact CE2-CG 3.83Å; F242-L245 HydrophobicContact CG-CG 4.19Å; F242-L245 HydrophobicContact CZ-CD1 3.17Å; F242-L245 HydrophobicContact CZ-CD2 3.9Å; F242-L245 HydrophobicContact CZ-CG 3.33Å; T243-L245 VanDerWaalsContact C-N 3.32Å; T243-L245 PolarHBondContact O-N 3.36Å; L245-N247 VanDerWaalsContact C-N 3.27Å; L245-N247 PolarHBondContact O-N 3.47Å; L245-I248 HydrophobicContact CD2-CD1 3.79Å; L245-I248 PolarHBondContact O-N 3.22Å; L245-L249 PolarHBondContact O-N 3.43Å; L245-L249 VanDerWaalsContact O-N 3.08Å |
| 246 | R | 66.1 | Low | 64.2 | Low | 192 Ų | 192 | 114.1 Ų | 114.1 | 73% | 0.725 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65 | -35.7 | -178.7 | -59.5 | -174.3 | -179.5 | -178.9 | 2.2 | 111.4 | G244 S250 | G244-R246 VanDerWaalsContact C-N 3.32Å; G244-R246 PolarHBondContact O-N 3.22Å; R246-S250 PolarHBondContact O-N 2.72Å |
| 247 | N | 62.6 | Low | 63.6 | Low | 113 Ų | 113 | 114.4 Ų | 114.4 | 60% | 0.604 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.3 | -37.3 | 177.2 | -67.4 | -16.5 | 0 | 0 | 0 | 111.7 | L245 S250 E251 | L245-N247 VanDerWaalsContact C-N 3.27Å; L245-N247 PolarHBondContact O-N 3.47Å; N247-S250 PolarHBondContact O-N 3.19Å; N247-E251 WeakPolarHBondContact O-CG 3.13Å; N247-E251 PolarHBondContact O-N 3.44Å |
| 248 | I | 65.9 | Low | 62 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.4 | -43.4 | 179 | -60.4 | 171.8 | 0 | 0 | 0 | 110.4 | L245 S250 E251 C252 | L245-I248 HydrophobicContact CD2-CD1 3.79Å; L245-I248 PolarHBondContact O-N 3.22Å; I248-S250 VanDerWaalsContact C-N 3.34Å; I248-S250 PolarHBondContact O-N 3.11Å; I248-E251 PolarHBondContact O-N 3.34Å; I248-C252 PolarHBondContact O-N 3.3Å; I248-C252 PolarHBondContact O-SG 3.5Å |
| 249 | L | 64.6 | Low | 61.4 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.9 | -40.5 | 175.4 | -72.5 | 164.5 | 0 | 0 | 0 | 112.3 | L245 E251 C252 E253 | L245-L249 PolarHBondContact O-N 3.43Å; L245-L249 VanDerWaalsContact O-N 3.08Å; L249-E251 VanDerWaalsContact C-N 3.31Å; L249-E251 PolarHBondContact O-N 2.93Å; L249-C252 WeakPolarHBondContact O-CB 3.18Å; L249-C252 PolarHBondContact O-N 3.4Å; L249-E253 PolarHBondContact O-N 2.85Å |
| 250 | S | 67 | Low | 60.1 | Low | 71 Ų | 71 | 113.4 Ų | 113.4 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64 | -36.5 | 175.5 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | R246 N247 I248 E253 R254 | R246-S250 PolarHBondContact O-N 2.72Å; N247-S250 PolarHBondContact O-N 3.19Å; I248-S250 VanDerWaalsContact C-N 3.34Å; I248-S250 PolarHBondContact O-N 3.11Å; S250-E253 PolarHBondContact O-N 3.08Å; S250-R254 PolarHBondContact O-N 3.25Å |
| 251 | E | 57.3 | Low | 59.3 | Low | 118 Ų | 118 | 111 Ų | 111 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.9 | -32.3 | 173.5 | -75.4 | 178.8 | -168.8 | 0 | 0 | 113 | N247 I248 L249 R254 N255 | N247-E251 WeakPolarHBondContact O-CG 3.13Å; N247-E251 PolarHBondContact O-N 3.44Å; I248-E251 PolarHBondContact O-N 3.34Å; L249-E251 VanDerWaalsContact C-N 3.31Å; L249-E251 PolarHBondContact O-N 2.93Å; E251-R254 WeakPolarHBondContact O-CG 3.49Å; E251-N255 PolarHBondContact O-ND2 2.96Å |
| 252 | C | 61.3 | Low | 58.2 | Low | 64 Ų | 64 | 114.4 Ų | 114.4 | 43% | 0.432 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.5 | -43.6 | 172.7 | -56.6 | 0 | 0 | 0 | 0 | 112 | I248 L249 N255 L256 | I248-C252 PolarHBondContact O-N 3.3Å; I248-C252 PolarHBondContact O-SG 3.5Å; L249-C252 WeakPolarHBondContact O-CB 3.18Å; L249-C252 PolarHBondContact O-N 3.4Å; C252-N255 PolarHBondContact O-N 3.18Å; C252-L256 PolarHBondContact O-N 2.89Å |
| 253 | E | 64.9 | Low | 57.9 | Low | 137 Ų | 137 | 113.3 Ų | 113.3 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.1 | -38.7 | -177.6 | -75.7 | -178 | 150.7 | 0 | 0 | 112.5 | L249 S250 N255 L256 A257 | L249-E253 PolarHBondContact O-N 2.85Å; S250-E253 PolarHBondContact O-N 3.08Å; E253-N255 PolarHBondContact O-N 3.47Å; E253-L256 PolarHBondContact O-N 3.03Å; E253-L256 VanDerWaalsContact O-N 3.17Å; E253-A257 WeakPolarHBondContact O-CB 3.38Å; E253-A257 PolarHBondContact O-N 2.83Å; E253-A257 VanDerWaalsContact O-N 3.08Å |
| 254 | R | 62.1 | Low | 57.1 | Low | 170 Ų | 170 | 117.4 Ų | 117.4 | 64% | 0.642 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.8 | -23.4 | 175 | 63.3 | 175.4 | -108.7 | 91.8 | 1.3 | 114 | S250 E251 | S250-R254 PolarHBondContact O-N 3.25Å; E251-R254 WeakPolarHBondContact O-CG 3.49Å |
| 255 | N | 58.6 | Low | 56.1 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.3 | -20 | 177.4 | -78 | -62.2 | 0 | 0 | 0 | 112.5 | E251 C252 E253 | E251-N255 PolarHBondContact O-ND2 2.96Å; C252-N255 PolarHBondContact O-N 3.18Å; E253-N255 PolarHBondContact O-N 3.47Å |
| 256 | L | 58.7 | Low | 54.8 | Low | 154 Ų | 154 | 124.5 Ų | 124.5 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -92.3 | -23.4 | 175.6 | -65.3 | 172.4 | 0 | 0 | 0 | 112.5 | C252 E253 S258 | C252-L256 PolarHBondContact O-N 2.89Å; E253-L256 PolarHBondContact O-N 3.03Å; E253-L256 VanDerWaalsContact O-N 3.17Å; L256-S258 VanDerWaalsContact C-N 3.34Å; L256-S258 PolarHBondContact O-N 3.47Å |
| 257 | A | 52.5 | Low | 53.9 | Low | 78 Ų | 78 | 123.6 Ų | 123.6 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -88.4 | 14.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E253 P259 | E253-A257 WeakPolarHBondContact O-CB 3.38Å; E253-A257 PolarHBondContact O-N 2.83Å; E253-A257 VanDerWaalsContact O-N 3.08Å; A257-P259 WeakPolarHBondContact O-CD 3.24Å |
| 258 | S | 41.4 | Very low | 53.2 | Low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | | | trans | -105.9 | 90.3 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | L256 | L256-S258 VanDerWaalsContact C-N 3.34Å; L256-S258 PolarHBondContact O-N 3.47Å |
| 259 | P | 57.7 | Low | 51.9 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | | | trans | -90.9 | 105.4 | 159.5 | 33.8 | -23.8 | 0 | 0 | 0 | 107.8 | A257 | A257-P259 WeakPolarHBondContact O-CD 3.24Š|
| 260 | E | 47.7 | Very low | 50.9 | Low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 172.3 | 119.1 | 143 | -94.1 | 162.8 | 159.9 | 0 | 0 | 111 | | |
| 261 | D | 47.6 | Very low | 49.3 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | 57.1 | 83.6 | 154 | -63.3 | -26.4 | 0 | 0 | 0 | 120.4 | | |
| 262 | T | 43.4 | Very low | 48.8 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | trans | -142 | 60.9 | 139.8 | -41.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 263 | S | 47.8 | Very low | 47.7 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -89.3 | 104.9 | 159.9 | -64.6 | 0 | 0 | 0 | 0 | 108 | | |
| 264 | Q | 49.3 | Very low | 46.6 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 163.2 | 141 | 143.5 | -87.7 | 163 | 45.4 | 0 | 0 | 111 | | |
| 265 | T | 38.5 | Very low | 45.4 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 78.3 | 107.8 | -174.1 | 83 | 0 | 0 | 0 | 0 | 111.8 | | |
| 266 | S | 36.2 | Very low | 44.7 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | cis | -158.8 | 89.1 | 46.5 | 166.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 267 | L | 47.1 | Very low | 44 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -86.4 | 102.6 | 158 | -76.6 | 171.9 | 0 | 0 | 0 | 107.3 | | |
| 268 | Q | 47.8 | Very low | 43.5 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | 171.7 | 93.5 | 148.6 | -96.2 | 162.4 | 29.1 | 0 | 0 | 110.9 | | |
| 269 | Q | 39.1 | Very low | 43.7 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | | | trans | -151.3 | 106.1 | 132.9 | -124.2 | 173.4 | -13.5 | 0 | 0 | 110.5 | | |
| 270 | R | 42.8 | Very low | 43.4 | Very low | 212 Ų | 212 | 145 Ų | 145 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | | | trans | -86 | 134.1 | 176.2 | 163.1 | -171.8 | -70.5 | 171.8 | -3.6 | 108.5 | | |
| 271 | T | 34 | Very low | 44.1 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | | -161.1 | 129.4 | 128 | 35.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 272 | Q | 46.8 | Very low | 44.9 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | | | trans | -85.6 | 145.3 | -178.2 | -60.8 | 164 | 2.3 | 0 | 0 | 110.2 | | |
| 273 | T | 36.9 | Very low | 46 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -148.2 | 134.8 | 148.7 | 44.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 274 | D | 42.2 | Very low | 47.4 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | | | trans | -62.2 | 149.8 | -163.6 | -66.1 | -62.9 | 0 | 0 | 0 | 117.9 | | |
| 275 | G | 37.6 | Very low | 48.5 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | 158.3 | 79.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 276 | S | 43.2 | Very low | 50.2 | Low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | 32.6 | 115.6 | 154.5 | -157.6 | 0 | 0 | 0 | 0 | 121 | | |
| 277 | T | 44.5 | Very low | 51.9 | Low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 63.4 | 80.4 | 140.9 | 56.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 278 | T | 42.3 | Very low | 53.3 | Low | 127 Ų | 127 | 125.7 Ų | 125.7 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | | | | 172.6 | 109.9 | 108.7 | 32.9 | 0 | 0 | 0 | 0 | 106.7 | T280 | T278-T280 VanDerWaalsContact C-N 3.26Å; T278-T280 PolarHBondContact O-N 2.83Å |
| 279 | S | 45.6 | Very low | 54.3 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 92% | 0.923 | 70% | 0.701 | S | S | * | * | | | trans | -71.5 | 81.8 | 176.4 | 159.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 280 | T | 51.8 | Low | 55.8 | Low | 97 Ų | 97 | 119.9 Ų | 119.9 | 60% | 0.595 | 69% | 0.691 | S | S | * | * | | | trans | -84.2 | 119.6 | 156.6 | 43.8 | 0 | 0 | 0 | 0 | 107.3 | T278 | T278-T280 VanDerWaalsContact C-N 3.26Å; T278-T280 PolarHBondContact O-N 2.83Å |
| 281 | S | 61.1 | Low | 56.9 | Low | 94 Ų | 94 | 111.7 Ų | 111.7 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | | | trans | -39.4 | 145.1 | 160.1 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | R283 | S281-R283 VanDerWaalsContact C-N 3.33Å; S281-R283 PolarHBondContact O-N 3.12Å |
| 282 | P | 64.3 | Low | 58.3 | Low | 124 Ų | 124 | 112.6 Ų | 112.6 | 81% | 0.805 | 66% | 0.657 | S | S | * | * | | | trans | -55.1 | 103.2 | 175.4 | 23.4 | -32.6 | 0 | 0 | 0 | 108 | S284 | P282-S284 PolarHBondContact O-N 3.38Š|
| 283 | R | 67.2 | Low | 59 | Low | 112 Ų | 112 | 109.1 Ų | 109.1 | 42% | 0.423 | 65% | 0.647 | S | S | . | * | | | trans | -49.6 | 128.2 | -176.9 | -74.9 | -169 | 152.3 | 160.3 | -0.1 | 107.8 | S281 E287 Q288 | S281-R283 VanDerWaalsContact C-N 3.33Å; S281-R283 PolarHBondContact O-N 3.12Å; R283-E287 HydrophobicContact CB-CB 4.04Å; R283-E287 HydrophobicContact CB-CG 4.15Å; R283-E287 WeakPolarHBondContact CD-OE1 3.42Å; R283-E287 HydrophobicContact CG-CB 4.49Å; R283-E287 VanDerWaalsContact CG-CD 3.44Å; R283-E287 HydrophobicContact CG-CG 4.05Å; R283-E287 WeakPolarHBondContact CG-OE1 3.41Å; R283-E287 IonicContact CZ-OE1 3.67Å; R283-E287 IonicContact NE-OE1 2.82Å; R283-E287 PolarHBondContact NE-OE1 3.13Å; R283-E287 IonicContact NH2-OE1 3.8Å; R283-Q288 HydrophobicContact CB-CG 3.89Å |
| 284 | S | 77.5 | Confident | 60.5 | Low | 67 Ų | 67 | 109.1 Ų | 109.1 | 47% | 0.469 | 64% | 0.642 | S | S | . | * | | | trans | -52.4 | 150.3 | 173.4 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | P282 S286 E287 Q288 | P282-S284 PolarHBondContact O-N 3.38Å; S284-S286 PolarHBondContact O-N 3.41Å; S284-S286 PolarHBondContact OG-OG 2.82Å; S284-E287 WeakPolarHBondContact O-CA 3.25Å; S284-E287 WeakPolarHBondContact O-CB 3.22Å; S284-E287 PolarHBondContact O-N 2.9Å; S284-Q288 PolarHBondContact O-N 2.89Å |
| 285 | C | 73.1 | Confident | 62.2 | Low | 103 Ų | 103 | 106.3 Ų | 106.3 | 70% | 0.696 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -49.5 | -35.1 | 176 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | E287 A289 | C285-E287 PolarHBondContact O-N 3.29Å; C285-A289 WeakPolarHBondContact O-CB 3.49Å; C285-A289 PolarHBondContact O-N 3.37Å |
| 286 | S | 72.3 | Confident | 64.4 | Low | 73 Ų | 73 | 107.8 Ų | 107.8 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.9 | -29.7 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | S284 | S284-S286 PolarHBondContact O-N 3.41Å; S284-S286 PolarHBondContact OG-OG 2.82Å |
| 287 | E | 72.9 | Confident | 66.6 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 41% | 0.407 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -84.8 | -34.6 | 178.7 | -169.6 | -175.3 | 167.3 | 0 | 0 | 111.3 | R283 S284 C285 A289 R290 A291 | R283-E287 HydrophobicContact CB-CB 4.04Å; R283-E287 HydrophobicContact CB-CG 4.15Å; R283-E287 WeakPolarHBondContact CD-OE1 3.42Å; R283-E287 HydrophobicContact CG-CB 4.49Å; R283-E287 VanDerWaalsContact CG-CD 3.44Å; R283-E287 HydrophobicContact CG-CG 4.05Å; R283-E287 WeakPolarHBondContact CG-OE1 3.41Å; R283-E287 IonicContact CZ-OE1 3.67Å; R283-E287 IonicContact NE-OE1 2.82Å; R283-E287 PolarHBondContact NE-OE1 3.13Å; R283-E287 IonicContact NH2-OE1 3.8Å; S284-E287 WeakPolarHBondContact O-CA 3.25Å; S284-E287 WeakPolarHBondContact O-CB 3.22Å; S284-E287 PolarHBondContact O-N 2.9Å; C285-E287 PolarHBondContact O-N 3.29Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-R290 PolarHBondContact O-N 2.68Å; E287-A291 PolarHBondContact O-N 3.15Å; E287-A291 VanDerWaalsContact O-N 3.11Å |
| 288 | Q | 75.9 | Confident | 68.6 | Low | 107 Ų | 107 | 106.3 Ų | 106.3 | 50% | 0.5 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.4 | -41.2 | 169.8 | -67.3 | -178.4 | -15.7 | 0 | 0 | 111.4 | R283 S284 R290 A291 Y292 | R283-Q288 HydrophobicContact CB-CG 3.89Å; S284-Q288 PolarHBondContact O-N 2.89Å; Q288-R290 PolarHBondContact O-N 3.29Å; Q288-A291 PolarHBondContact O-N 2.79Å; Q288-Y292 WeakPolarHBondContact O-CD2 3.33Å |
| 289 | A | 69.1 | Low | 70.8 | Confident | 64 Ų | 64 | 106.3 Ų | 106.3 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.1 | -27.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C285 E287 V293 | C285-A289 WeakPolarHBondContact O-CB 3.49Å; C285-A289 PolarHBondContact O-N 3.37Å; E287-A289 VanDerWaalsContact C-N 3.34Å; A289-V293 VanDerWaalsContact O-CG2 3.24Å; A289-V293 WeakPolarHBondContact O-CG2 3.4Å |
| 290 | R | 70.3 | Confident | 73 | Confident | 199 Ų | 199 | 103.8 Ų | 103.8 | 75% | 0.751 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -87.7 | -26.7 | 177.3 | -68 | 179.6 | -179.9 | -166.5 | -0.6 | 113.2 | E287 Q288 Y292 V293 | E287-R290 PolarHBondContact O-N 2.68Å; Q288-R290 PolarHBondContact O-N 3.29Å; R290-Y292 VanDerWaalsContact C-N 3.28Å; R290-Y292 PolarHBondContact O-N 3.47Å; R290-V293 PolarHBondContact O-N 3.31Å |
| 291 | A | 66.3 | Low | 74.8 | Confident | 40 Ų | 40 | 103.7 Ų | 103.7 | 33% | 0.331 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -24.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E287 Q288 | E287-A291 PolarHBondContact O-N 3.15Å; E287-A291 VanDerWaalsContact O-N 3.11Å; Q288-A291 PolarHBondContact O-N 2.79Å |
| 292 | Y | 63.5 | Low | 76.1 | Confident | 163 Ų | 163 | 102.3 Ų | 102.3 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -0.2 | 177.8 | -74.1 | -77.6 | 0 | 0 | 0 | 113.9 | Q288 R290 D294 D295 | Q288-Y292 WeakPolarHBondContact O-CD2 3.33Å; R290-Y292 VanDerWaalsContact C-N 3.28Å; R290-Y292 PolarHBondContact O-N 3.47Å; Y292-D294 VanDerWaalsContact C-N 3.27Å; Y292-D294 PolarHBondContact O-N 3.44Å; Y292-D295 VanDerWaalsContact CD1-OD2 3.25Å; Y292-D295 WeakPolarHBondContact CD1-OD2 3.46Å; Y292-D295 PolarHBondContact O-N 3.33Å |
| 293 | V | 61.6 | Low | 77.3 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -70.8 | -28.8 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | A289 R290 D295 | A289-V293 VanDerWaalsContact O-CG2 3.24Å; A289-V293 WeakPolarHBondContact O-CG2 3.4Å; R290-V293 PolarHBondContact O-N 3.31Å; V293-D295 VanDerWaalsContact C-N 3.33Å |
| 294 | D | 67.9 | Low | 78.3 | Confident | 142 Ų | 142 | 99.4 Ų | 99.4 | 76% | 0.759 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12 | 179.9 | -61.5 | -32.6 | 0 | 0 | 0 | 113.3 | Y292 I296 | Y292-D294 VanDerWaalsContact C-N 3.27Å; Y292-D294 PolarHBondContact O-N 3.44Å; D294-I296 VanDerWaalsContact C-N 3.34Å |
| 295 | D | 78.3 | Confident | 78.8 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 60% | 0.599 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.6 | 177.2 | -70.5 | -26.8 | 0 | 0 | 0 | 112.6 | Y292 V293 | Y292-D295 VanDerWaalsContact CD1-OD2 3.25Å; Y292-D295 WeakPolarHBondContact CD1-OD2 3.46Å; Y292-D295 PolarHBondContact O-N 3.33Å; V293-D295 VanDerWaalsContact C-N 3.33Å |
| 296 | I | 84.3 | Confident | 79.2 | Confident | 107 Ų | 107 | 102.9 Ų | 102.9 | 55% | 0.549 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -101.3 | 102.1 | 175.8 | -57.2 | 177.7 | 0 | 0 | 0 | 107.3 | D294 D300 L301 | D294-I296 VanDerWaalsContact C-N 3.34Å; I296-D300 HydrophobicContact CG2-CB 4.35Å; I296-L301 HydrophobicContact CG2-CB 4.36Å |
| 297 | T | 89.4 | Confident | 79.6 | Confident | 61 Ų | 61 | 108.3 Ų | 108.3 | 37% | 0.374 | 54% | 0.544 | S | S | . | . | | | trans | -69.6 | 157.9 | 175.3 | 68 | 0 | 0 | 0 | 0 | 110.4 | E299 D300 L301 | T297-E299 WeakPolarHBondContact CB-OE2 3.46Å; T297-E299 PolarHBondContact O-N 3.37Å; T297-D300 PolarHBondContact N-OD2 2.71Å; T297-D300 PolarHBondContact O-N 3.31Å; T297-D300 VanDerWaalsContact O-N 3.13Å; T297-D300 PolarHBondContact OG1-N 3.46Å; T297-D300 VanDerWaalsContact OG1-N 3.15Å; T297-D300 PolarHBondContact OG1-OD2 2.93Å; T297-L301 PolarHBondContact O-N 3.19Å; T297-L301 VanDerWaalsContact O-N 3.08Å |
| 298 | I | 85.4 | Confident | 80 | Confident | 129 Ų | 129 | 111.9 Ų | 111.9 | 66% | 0.662 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -26.4 | 176 | -168.2 | 152.3 | 0 | 0 | 0 | 111.3 | S302 | I298-S302 VanDerWaalsContact O-CB 3.22Å; I298-S302 WeakPolarHBondContact O-CB 3.43Å; I298-S302 PolarHBondContact O-N 3.46Å; I298-S302 PolarHBondContact O-OG 2.98Å |
| 299 | E | 89.6 | Confident | 80.4 | Confident | 127 Ų | 127 | 111.3 Ų | 111.3 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.3 | -43 | 171.7 | -67.5 | 70.5 | -156.4 | 0 | 0 | 111.8 | T297 S302 G303 | T297-E299 WeakPolarHBondContact CB-OE2 3.46Å; T297-E299 PolarHBondContact O-N 3.37Å; E299-S302 WeakPolarHBondContact CA-OG 3.32Å; E299-S302 PolarHBondContact O-OG 3.33Å; E299-G303 PolarHBondContact O-N 2.88Å |
| 300 | D | 91 | Very high | 80.8 | Confident | 80 Ų | 80 | 118 Ų | 118 | 43% | 0.428 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.9 | -46.8 | 175.9 | -64 | -48.2 | 0 | 0 | 0 | 110.6 | I296 T297 G303 Y304 | I296-D300 HydrophobicContact CG2-CB 4.35Å; T297-D300 PolarHBondContact N-OD2 2.71Å; T297-D300 PolarHBondContact O-N 3.31Å; T297-D300 VanDerWaalsContact O-N 3.13Å; T297-D300 PolarHBondContact OG1-N 3.46Å; T297-D300 VanDerWaalsContact OG1-N 3.15Å; T297-D300 PolarHBondContact OG1-OD2 2.93Å; D300-G303 PolarHBondContact O-N 2.85Å; D300-Y304 WeakPolarHBondContact O-CD2 3.33Å; D300-Y304 PolarHBondContact O-N 2.92Å |
| 301 | L | 90.7 | Very high | 81.2 | Confident | 94 Ų | 94 | 114.8 Ų | 114.8 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -43.4 | 178.8 | -175.3 | 62 | 0 | 0 | 0 | 111.9 | I296 T297 Y304 M305 | I296-L301 HydrophobicContact CG2-CB 4.36Å; T297-L301 PolarHBondContact O-N 3.19Å; T297-L301 VanDerWaalsContact O-N 3.08Å; L301-Y304 WeakPolarHBondContact O-CB 3.37Å; L301-Y304 PolarHBondContact O-N 3.37Å; L301-M305 HydrophobicContact CD1-CE 4.46Å; L301-M305 VanDerWaalsContact O-CG 3.31Å; L301-M305 WeakPolarHBondContact O-CG 3.17Å; L301-M305 PolarHBondContact O-N 3.36Å |
| 302 | S | 86.8 | Confident | 81.7 | Confident | 66 Ų | 66 | 117.3 Ų | 117.3 | 46% | 0.462 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.4 | -38 | 178 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | I298 E299 M305 E306 | I298-S302 VanDerWaalsContact O-CB 3.22Å; I298-S302 WeakPolarHBondContact O-CB 3.43Å; I298-S302 PolarHBondContact O-N 3.46Å; I298-S302 PolarHBondContact O-OG 2.98Å; E299-S302 WeakPolarHBondContact CA-OG 3.32Å; E299-S302 PolarHBondContact O-OG 3.33Å; S302-M305 PolarHBondContact O-N 3.4Å; S302-E306 PolarHBondContact O-N 3.11Å |
| 303 | G | 90.7 | Very high | 82.6 | Confident | 35 Ų | 35 | 118.5 Ų | 118.5 | 36% | 0.361 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.5 | -38.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E299 D300 E306 Y307 | E299-G303 PolarHBondContact O-N 2.88Å; D300-G303 PolarHBondContact O-N 2.85Å; G303-E306 PolarHBondContact O-N 3.41Å; G303-Y307 PolarHBondContact O-N 3.01Å; G303-Y307 VanDerWaalsContact O-N 3.08Å |
| 304 | Y | 87.8 | Confident | 83.8 | Confident | 140 Ų | 140 | 123 Ų | 123 | 55% | 0.549 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.6 | -44.9 | 170.5 | -88.7 | -66.5 | 0 | 0 | 0 | 111.3 | D300 L301 Y307 Y308 | D300-Y304 WeakPolarHBondContact O-CD2 3.33Å; D300-Y304 PolarHBondContact O-N 2.92Å; L301-Y304 WeakPolarHBondContact O-CB 3.37Å; L301-Y304 PolarHBondContact O-N 3.37Å; Y304-Y307 PolarHBondContact O-N 2.83Å; Y304-Y308 HydrophobicContact CD1-CD2 4.44Å; Y304-Y308 AromaticContact CD1-CE2 3.81Å; Y304-Y308 HydrophobicContact CD1-CE2 3.81Å; Y304-Y308 HydrophobicContact CE1-CE2 4.5Å; Y304-Y308 WeakPolarHBondContact O-CD2 3.46Å; Y304-Y308 PolarHBondContact O-N 3.18Å; Y304-Y308 VanDerWaalsContact O-N 3.12Å |
| 305 | M | 87.3 | Confident | 84.6 | Confident | 90 Ų | 90 | 121.1 Ų | 121.1 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -39.5 | 177.6 | -67.8 | -61.7 | 105.7 | 0 | 0 | 112.3 | L301 S302 Y307 Y308 L309 | L301-M305 HydrophobicContact CD1-CE 4.46Å; L301-M305 VanDerWaalsContact O-CG 3.31Å; L301-M305 WeakPolarHBondContact O-CG 3.17Å; L301-M305 PolarHBondContact O-N 3.36Å; S302-M305 PolarHBondContact O-N 3.4Å; M305-Y307 VanDerWaalsContact C-N 3.32Å; M305-Y307 PolarHBondContact O-N 3.4Å; M305-Y308 PolarHBondContact O-N 2.94Å; M305-L309 HydrophobicContact CB-CD1 4.26Å; M305-L309 WeakPolarHBondContact O-CA 3.47Å; M305-L309 WeakPolarHBondContact O-CB 3.45Å; M305-L309 VanDerWaalsContact O-CG 3.3Å; M305-L309 WeakPolarHBondContact O-CG 3.46Å; M305-L309 PolarHBondContact O-N 3.28Å |
| 306 | E | 82.4 | Confident | 85.2 | Confident | 152 Ų | 152 | 119.3 Ų | 119.3 | 71% | 0.71 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66 | -33.1 | 176.9 | -173.3 | 173.6 | -159.6 | 0 | 0 | 112.3 | S302 G303 | S302-E306 PolarHBondContact O-N 3.11Å; G303-E306 PolarHBondContact O-N 3.41Å |
| 307 | Y | 79.7 | Confident | 85.6 | Confident | 188 Ų | 188 | 121 Ų | 121 | 74% | 0.737 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.7 | -39.8 | 175.7 | -177.9 | -101.2 | 0 | 0 | 0 | 112.9 | G303 Y304 M305 | G303-Y307 PolarHBondContact O-N 3.01Å; G303-Y307 VanDerWaalsContact O-N 3.08Å; Y304-Y307 PolarHBondContact O-N 2.83Å; M305-Y307 VanDerWaalsContact C-N 3.32Å; M305-Y307 PolarHBondContact O-N 3.4Å |
| 308 | Y | 81.8 | Confident | 85.8 | Confident | 161 Ų | 161 | 125.3 Ų | 125.3 | 63% | 0.631 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -87.7 | -30.5 | -177.3 | -73.1 | -64.9 | 0 | 0 | 0 | 113.5 | Y304 M305 Y310 | Y304-Y308 HydrophobicContact CD1-CD2 4.44Å; Y304-Y308 AromaticContact CD1-CE2 3.81Å; Y304-Y308 HydrophobicContact CD1-CE2 3.81Å; Y304-Y308 HydrophobicContact CE1-CE2 4.5Å; Y304-Y308 WeakPolarHBondContact O-CD2 3.46Å; Y304-Y308 PolarHBondContact O-N 3.18Å; Y304-Y308 VanDerWaalsContact O-N 3.12Å; M305-Y308 PolarHBondContact O-N 2.94Å; Y308-Y310 PolarHBondContact O-N 3.35Å |
| 309 | L | 84.3 | Confident | 85.9 | Confident | 96 Ų | 96 | 120.2 Ų | 120.2 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -92.2 | 94.6 | 173.6 | -57.2 | 174.6 | 0 | 0 | 0 | 107.7 | M305 I311 | M305-L309 HydrophobicContact CB-CD1 4.26Å; M305-L309 WeakPolarHBondContact O-CA 3.47Å; M305-L309 WeakPolarHBondContact O-CB 3.45Å; M305-L309 VanDerWaalsContact O-CG 3.3Å; M305-L309 WeakPolarHBondContact O-CG 3.46Å; M305-L309 PolarHBondContact O-N 3.28Å; L309-I311 HydrophobicContact CB-CD1 4.42Å; L309-I311 HydrophobicContact CB-CG1 4.11Å; L309-I311 PolarHBondContact O-N 2.81Å |
| 310 | Y | 78.2 | Confident | 85.8 | Confident | 205 Ų | 205 | 118.6 Ų | 118.6 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | | | trans | -66.1 | 87.9 | 164.7 | -178.2 | -104.3 | 0 | 0 | 0 | 108.5 | Y308 P312 | Y308-Y310 PolarHBondContact O-N 3.35Å; Y310-P312 HydrophobicContact CD1-CG 4.16Å; Y310-P312 HydrophobicContact CE1-CB 4.26Å; Y310-P312 HydrophobicContact CE1-CG 3.88Å; Y310-P312 VanDerWaalsContact O-CD 3.31Å; Y310-P312 WeakPolarHBondContact O-CD 3.35Å |
| 311 | I | 77.9 | Confident | 86 | Confident | 130 Ų | 130 | 119.9 Ų | 119.9 | 67% | 0.667 | 58% | 0.579 | S | S | * | * | | | trans | -85.9 | 108.8 | 169.7 | -59.8 | 174.4 | 0 | 0 | 0 | 105.4 | L309 K313 | L309-I311 HydrophobicContact CB-CD1 4.42Å; L309-I311 HydrophobicContact CB-CG1 4.11Å; L309-I311 PolarHBondContact O-N 2.81Å; I311-K313 PolarHBondContact O-N 3.2Å |
| 312 | P | 77.3 | Confident | 85.9 | Confident | 93 Ų | 93 | 122.3 Ų | 122.3 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | | | trans | -59.1 | 111.1 | 179.8 | -19.4 | 31.5 | 0 | 0 | 0 | 108.9 | Y310 K314 | Y310-P312 HydrophobicContact CD1-CG 4.16Å; Y310-P312 HydrophobicContact CE1-CB 4.26Å; Y310-P312 HydrophobicContact CE1-CG 3.88Å; Y310-P312 VanDerWaalsContact O-CD 3.31Å; Y310-P312 WeakPolarHBondContact O-CD 3.35Å; P312-K314 PolarHBondContact O-N 2.96Å |
| 313 | K | 82.6 | Confident | 85.6 | Confident | 189 Ų | 189 | 128.4 Ų | 128.4 | 82% | 0.822 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 130.5 | 176.3 | -163.1 | 166.6 | -175.1 | 150.3 | 0 | 107.7 | I311 M315 | I311-K313 PolarHBondContact O-N 3.2Å; K313-M315 PolarHBondContact O-N 3.49Å |
| 314 | K | 85.6 | Confident | 84.7 | Confident | 187 Ų | 187 | 134.5 Ų | 134.5 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 119.2 | 166.2 | -81.1 | -99.4 | -176.5 | 166 | 0 | 107.5 | P312 | P312-K314 PolarHBondContact O-N 2.96Š|
| 315 | M | 86.1 | Confident | 84.6 | Confident | 102 Ų | 102 | 134.2 Ų | 134.2 | 50% | 0.502 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 144.1 | 174.7 | -72.7 | -75.5 | -84.6 | 0 | 0 | 107.9 | K313 A319 E320 Y323 | K313-M315 PolarHBondContact O-N 3.49Å; M315-A319 HydrophobicContact CB-CB 4.27Å; M315-A319 HydrophobicContact CE-CB 3.62Å; M315-A319 HydrophobicContact SD-CB 4.38Å; M315-E320 HydrophobicContact CB-CG 3.88Å; M315-Y323 HydrophobicContact CE-CD2 4.1Å; M315-Y323 HydrophobicContact CE-CE2 3.94Å |
| 316 | S | 90.8 | Very high | 84.4 | Confident | 74 Ų | 74 | 136.5 Ų | 136.5 | 52% | 0.517 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 151.2 | 174.6 | 68 | 0 | 0 | 0 | 0 | 109.1 | M318 A319 E320 | S316-M318 PolarHBondContact O-N 3.5Å; S316-M318 VanDerWaalsContact O-N 3.12Å; S316-A319 WeakPolarHBondContact O-CA 3.33Å; S316-A319 WeakPolarHBondContact O-CB 3.25Å; S316-A319 PolarHBondContact O-N 2.97Å; S316-A319 WeakPolarHBondContact OG-CB 3.47Å; S316-A319 PolarHBondContact OG-N 3.24Å; S316-E320 PolarHBondContact O-N 2.68Å |
| 317 | H | 92.3 | Very high | 84.6 | Confident | 141 Ų | 141 | 135.7 Ų | 135.7 | 65% | 0.653 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -51.6 | -37.6 | 175.1 | 178 | -79.7 | 0 | 0 | 0 | 112.2 | A319 E320 M321 | H317-A319 VanDerWaalsContact C-N 3.33Å; H317-A319 PolarHBondContact O-N 3.37Å; H317-E320 PolarHBondContact O-N 2.95Å; H317-M321 WeakPolarHBondContact O-CG 3.27Å; H317-M321 PolarHBondContact O-N 3.21Å |
| 318 | M | 93.3 | Very high | 84.8 | Confident | 153 Ų | 153 | 132.6 Ų | 132.6 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.9 | -40 | 174.1 | -73.1 | -169.8 | 72.2 | 0 | 0 | 112.8 | S316 M322 | S316-M318 PolarHBondContact O-N 3.5Å; S316-M318 VanDerWaalsContact O-N 3.12Å; M318-M322 WeakPolarHBondContact O-CG 3.34Å |
| 319 | A | 88.1 | Confident | 85 | Confident | 21 Ų | 21 | 130.8 Ų | 130.8 | 17% | 0.174 | 64% | 0.64 | C | S | . | * | H | α-helix | trans | -71.7 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M315 S316 H317 M321 M322 Y323 | M315-A319 HydrophobicContact CB-CB 4.27Å; M315-A319 HydrophobicContact CE-CB 3.62Å; M315-A319 HydrophobicContact SD-CB 4.38Å; S316-A319 WeakPolarHBondContact O-CA 3.33Å; S316-A319 WeakPolarHBondContact O-CB 3.25Å; S316-A319 PolarHBondContact O-N 2.97Å; S316-A319 WeakPolarHBondContact OG-CB 3.47Å; S316-A319 PolarHBondContact OG-N 3.24Å; H317-A319 VanDerWaalsContact C-N 3.33Å; H317-A319 PolarHBondContact O-N 3.37Å; A319-M321 VanDerWaalsContact C-N 3.29Å; A319-M321 PolarHBondContact O-N 3.02Å; A319-M322 PolarHBondContact O-N 3.01Å; A319-M322 VanDerWaalsContact O-N 3.09Å; A319-Y323 WeakPolarHBondContact O-CD2 3.5Å |
| 320 | E | 88.3 | Confident | 85.1 | Confident | 93 Ų | 93 | 133.1 Ų | 133.1 | 44% | 0.435 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -55.4 | -45.6 | 174.8 | -67 | 179.1 | 171.3 | 0 | 0 | 111.3 | M315 S316 H317 M322 Y323 T324 | M315-E320 HydrophobicContact CB-CG 3.88Å; S316-E320 PolarHBondContact O-N 2.68Å; H317-E320 PolarHBondContact O-N 2.95Å; E320-M322 PolarHBondContact O-N 3.27Å; E320-M322 VanDerWaalsContact O-N 3.17Å; E320-Y323 PolarHBondContact O-N 3.21Å; E320-T324 WeakPolarHBondContact O-CG2 3.33Å; E320-T324 PolarHBondContact O-N 3.43Å |
| 321 | M | 93.8 | Very high | 85.6 | Confident | 107 Ų | 107 | 128 Ų | 128 | 53% | 0.527 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.3 | -13.8 | 178.4 | -69.9 | -64.2 | -54.2 | 0 | 0 | 115.4 | H317 A319 | H317-M321 WeakPolarHBondContact O-CG 3.27Å; H317-M321 PolarHBondContact O-N 3.21Å; A319-M321 VanDerWaalsContact C-N 3.29Å; A319-M321 PolarHBondContact O-N 3.02Å |
| 322 | M | 89.8 | Confident | 86.2 | Confident | 145 Ų | 145 | 127.8 Ų | 127.8 | 71% | 0.714 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -90.9 | -16.5 | 176.4 | -66.7 | -70.8 | 86.6 | 0 | 0 | 113.2 | M318 A319 E320 | M318-M322 WeakPolarHBondContact O-CG 3.34Å; A319-M322 PolarHBondContact O-N 3.01Å; A319-M322 VanDerWaalsContact O-N 3.09Å; E320-M322 PolarHBondContact O-N 3.27Å; E320-M322 VanDerWaalsContact O-N 3.17Å |
| 323 | Y | 80.8 | Confident | 86.9 | Confident | 195 Ų | 195 | 130.8 Ų | 130.8 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -113.8 | 3.8 | -174.5 | -68.6 | -73.3 | 0 | 0 | 0 | 113.8 | M315 A319 E320 | M315-Y323 HydrophobicContact CE-CD2 4.1Å; M315-Y323 HydrophobicContact CE-CE2 3.94Å; A319-Y323 WeakPolarHBondContact O-CD2 3.5Å; E320-Y323 PolarHBondContact O-N 3.21Å |
| 324 | T | 71.6 | Confident | 87.3 | Confident | 162 Ų | 162 | 125.5 Ų | 125.5 | 99% | 0.994 | 62% | 0.623 | S | S | * | * | | | trans | -92.8 | 0 | 169.3 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | E320 | E320-T324 WeakPolarHBondContact O-CG2 3.33Å; E320-T324 PolarHBondContact O-N 3.43Å |