| 1 | M | 50.5 | Low | 57.1 | Low | 234 Ų | 234 | 139 Ų | 139 | 100% | 1.153 | 72% | 0.72 | S | S | * | * | | | | 0 | 121.7 | 0 | -72 | 179.9 | 168.3 | 0 | 0 | 108.5 | | |
| 2 | P | 54.4 | Low | 57.2 | Low | 122 Ų | 122 | 146.8 Ų | 146.8 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | | | trans | -75.9 | 125 | 178.5 | 29.7 | -29.5 | 0 | 0 | 0 | 109.6 | N4 | P2-N4 PolarHBondContact O-N 3.48Å; P2-N4 VanDerWaalsContact O-N 3.09Å |
| 3 | C | 58.6 | Low | 57 | Low | 91 Ų | 91 | 153.2 Ų | 153.2 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | | | trans | -58.6 | 114.8 | 168.6 | -65.5 | 0 | 0 | 0 | 0 | 108.1 | R5 C22 | C3-R5 PolarHBondContact O-N 3.42Å; C3-C22 VanDerWaalsContact SG-SG 3.69Å |
| 4 | N | 61.5 | Low | 56.9 | Low | 160 Ų | 160 | 146.4 Ų | 146.4 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | | | trans | -57.3 | 112.4 | -178.6 | -116.7 | -2.1 | 0 | 0 | 0 | 108.8 | P2 I6 | P2-N4 PolarHBondContact O-N 3.48Å; P2-N4 VanDerWaalsContact O-N 3.09Å; N4-I6 PolarHBondContact O-N 2.98Å; N4-I6 VanDerWaalsContact O-N 3.09Å |
| 5 | R | 59.9 | Low | 56.3 | Low | 237 Ų | 237 | 145.1 Ų | 145.1 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | | | trans | -61.3 | 112.5 | 178.2 | -76.4 | 178.6 | 178 | 167.8 | -0.7 | 107.8 | C3 | C3-R5 PolarHBondContact O-N 3.42Š|
| 6 | I | 60.8 | Low | 56.3 | Low | 93 Ų | 93 | 150.7 Ų | 150.7 | 48% | 0.477 | 74% | 0.736 | S | S | . | * | | | trans | -52.1 | 126.7 | 169.2 | -60.4 | 169.9 | 0 | 0 | 0 | 107.8 | N4 L8 A10 | N4-I6 PolarHBondContact O-N 2.98Å; N4-I6 VanDerWaalsContact O-N 3.09Å; I6-L8 PolarHBondContact O-N 3.32Å; I6-A10 HydrophobicContact CG2-CB 4.06Å |
| 7 | P | 56.3 | Low | 56.3 | Low | 90 Ų | 90 | 153.9 Ų | 153.9 | 58% | 0.584 | 74% | 0.739 | S | S | * | * | | | trans | -51.7 | 130.3 | -179.8 | -26.3 | 34 | 0 | 0 | 0 | 110.8 | M9 A10 | P7-M9 PolarHBondContact O-N 3.08Å; P7-A10 WeakPolarHBondContact O-CB 3.32Å; P7-A10 PolarHBondContact O-N 3.44Å |
| 8 | L | 58.7 | Low | 56.1 | Low | 133 Ų | 133 | 152.4 Ų | 152.4 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -53.4 | -23.3 | 179.7 | -82.8 | 151.3 | 0 | 0 | 0 | 112.8 | I6 A10 R11 | I6-L8 PolarHBondContact O-N 3.32Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.34Å; L8-R11 VanDerWaalsContact O-CB 3.3Å; L8-R11 WeakPolarHBondContact O-CB 3.35Å; L8-R11 WeakPolarHBondContact O-CG 3.31Å; L8-R11 PolarHBondContact O-N 3.43Å |
| 9 | M | 58.1 | Low | 56.1 | Low | 179 Ų | 179 | 152.4 Ų | 152.4 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -69.4 | -25.6 | 176.5 | -67 | 172.6 | 173.4 | 0 | 0 | 113.7 | P7 R11 | P7-M9 PolarHBondContact O-N 3.08Å; M9-R11 PolarHBondContact O-N 3.09Å |
| 10 | A | 55 | Low | 56.2 | Low | 56 Ų | 56 | 149.4 Ų | 149.4 | 46% | 0.463 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -78.3 | -0.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I6 P7 L8 | I6-A10 HydrophobicContact CG2-CB 4.06Å; P7-A10 WeakPolarHBondContact O-CB 3.32Å; P7-A10 PolarHBondContact O-N 3.44Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.34Å |
| 11 | R | 54.1 | Low | 56.1 | Low | 134 Ų | 134 | 150.8 Ų | 150.8 | 51% | 0.506 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -80.2 | -11.5 | -175.8 | -66.9 | -169 | -175.2 | -157.4 | 1.3 | 115 | L8 M9 R18 | L8-R11 VanDerWaalsContact O-CB 3.3Å; L8-R11 WeakPolarHBondContact O-CB 3.35Å; L8-R11 WeakPolarHBondContact O-CG 3.31Å; L8-R11 PolarHBondContact O-N 3.43Å; M9-R11 PolarHBondContact O-N 3.09Å; R11-R18 VanDerWaalsContact CA-NH2 3.28Å; R11-R18 PolarHBondContact O-NH2 3.25Å |
| 12 | R | 58 | Low | 56.3 | Low | 232 Ų | 232 | 143.9 Ų | 143.9 | 88% | 0.875 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -87.3 | -10.6 | -175.9 | -83.2 | -173.6 | 179.4 | -137.6 | 1.2 | 115.3 | | |
| 13 | W | 55 | Low | 56.2 | Low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.871 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -132.4 | 19.6 | -165.2 | -75.1 | 76 | 0 | 0 | 0 | 115.8 | | |
| 14 | S | 55.3 | Low | 56.1 | Low | 59 Ų | 59 | 144.2 Ų | 144.2 | 41% | 0.413 | 71% | 0.707 | S | S | . | * | | | trans | -149 | 99.4 | 179 | -103.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 15 | P | 48.5 | Very low | 56 | Low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -97 | 74.4 | 169.3 | 35.8 | -25.7 | 0 | 0 | 0 | 109.4 | | |
| 16 | R | 56.5 | Low | 56.2 | Low | 235 Ų | 235 | 140 Ų | 140 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 176.1 | -16.8 | 156.3 | -107.6 | 167.9 | -170.3 | -174.2 | 1.6 | 115.7 | | |
| 17 | W | 55.2 | Low | 56.2 | Low | 206 Ų | 206 | 141.1 Ų | 141.1 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | | | trans | -105 | 30.2 | -170.5 | -73.1 | 97.7 | 0 | 0 | 0 | 115 | Q19 | W17-Q19 PolarHBondContact O-N 3.5Š|
| 18 | R | 52.7 | Low | 56.4 | Low | 127 Ų | 127 | 145.2 Ų | 145.2 | 48% | 0.479 | 72% | 0.724 | S | S | . | * | | | trans | -100.7 | 50.6 | 179.7 | -65.9 | -163.1 | -157.9 | -179 | 12.6 | 113.7 | R11 | R11-R18 VanDerWaalsContact CA-NH2 3.28Å; R11-R18 PolarHBondContact O-NH2 3.25Å |
| 19 | Q | 57.1 | Low | 56.2 | Low | 151 Ų | 151 | 146 Ų | 146 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -110.9 | 115 | 155.2 | -84.2 | -175.2 | -9.6 | 0 | 0 | 108.7 | W17 F21 | W17-Q19 PolarHBondContact O-N 3.5Å; Q19-F21 PolarHBondContact O-N 2.92Å; Q19-F21 VanDerWaalsContact O-N 3.09Å |
| 20 | P | 57.1 | Low | 56.4 | Low | 93 Ų | 93 | 144.4 Ų | 144.4 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | | | trans | -65 | 110.5 | 165.4 | 25.9 | -27.1 | 0 | 0 | 0 | 107 | C22 | P20-C22 VanDerWaalsContact C-N 3.29Å; P20-C22 PolarHBondContact O-N 3.08Å |
| 21 | F | 55.8 | Low | 56.3 | Low | 178 Ų | 178 | 148.7 Ų | 148.7 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | -67.4 | 91.4 | 171.7 | -76.2 | -87.1 | 0 | 0 | 0 | 108.4 | Q19 S23 | Q19-F21 PolarHBondContact O-N 2.92Å; Q19-F21 VanDerWaalsContact O-N 3.09Å; F21-S23 PolarHBondContact O-N 3.45Å |
| 22 | C | 53.7 | Low | 56.5 | Low | 90 Ų | 90 | 150.1 Ų | 150.1 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -85.1 | 97.3 | 168.4 | -71.5 | 0 | 0 | 0 | 0 | 108.8 | C3 P20 | C3-C22 VanDerWaalsContact SG-SG 3.69Å; P20-C22 VanDerWaalsContact C-N 3.29Å; P20-C22 PolarHBondContact O-N 3.08Å |
| 23 | S | 52.4 | Low | 56.3 | Low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | | | trans | 36.7 | 95.1 | 151.9 | -144.4 | 0 | 0 | 0 | 0 | 118.1 | F21 | F21-S23 PolarHBondContact O-N 3.45Š|
| 24 | A | 56 | Low | 56.4 | Low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | | | trans | -97.1 | 124.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 25 | K | 60.8 | Low | 56.7 | Low | 192 Ų | 192 | 146 Ų | 146 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -39.7 | 135.2 | -178.5 | -146.1 | 172 | -175.7 | -178.9 | 0 | 113.7 | | |
| 26 | P | 63.7 | Low | 57.3 | Low | 116 Ų | 116 | 145.1 Ų | 145.1 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | -77.3 | 131.7 | 172.3 | 30.5 | -31.3 | 0 | 0 | 0 | 110.4 | | |
| 27 | P | 59.7 | Low | 57.4 | Low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -86.1 | 127.8 | 168.5 | 31.4 | -28.5 | 0 | 0 | 0 | 111.3 | | |
| 28 | E | 61.3 | Low | 57.7 | Low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | 33.7 | 125.2 | 148.3 | -73.6 | 169 | 136.9 | 0 | 0 | 121.2 | I30 | E28-I30 PolarHBondContact O-N 2.7Š|
| 29 | T | 54 | Low | 58.1 | Low | 148 Ų | 148 | 142.6 Ų | 142.6 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | | | trans | -41.4 | 116.8 | 164.2 | 26.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 30 | I | 62.3 | Low | 58.2 | Low | 146 Ų | 146 | 140.6 Ų | 140.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -97.6 | 122.3 | 165.1 | -63.1 | 167.3 | 0 | 0 | 0 | 107.5 | E28 L32 | E28-I30 PolarHBondContact O-N 2.7Å; I30-L32 PolarHBondContact O-N 2.81Å |
| 31 | D | 52.4 | Low | 58.4 | Low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -67.8 | 117.6 | 176.3 | -152.1 | -17.2 | 0 | 0 | 0 | 109.8 | T33 | D31-T33 PolarHBondContact O-N 3.44Å; D31-T33 PolarHBondContact OD1-OG1 3.47Å |
| 32 | L | 59.6 | Low | 58.5 | Low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | trans | -98.3 | 63.9 | -173 | -73 | 169.4 | 0 | 0 | 0 | 110.9 | I30 | I30-L32 PolarHBondContact O-N 2.81Š|
| 33 | T | 53.4 | Low | 58.7 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | | | trans | -118.4 | 61.4 | 174.4 | -8.8 | 0 | 0 | 0 | 0 | 110.2 | D31 | D31-T33 PolarHBondContact O-N 3.44Å; D31-T33 PolarHBondContact OD1-OG1 3.47Å |
| 34 | M | 57.8 | Low | 59.1 | Low | 186 Ų | 186 | 140 Ų | 140 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | -132.8 | 109.4 | 164 | -79.7 | -163.7 | 153.7 | 0 | 0 | 109.5 | | |
| 35 | T | 60.4 | Low | 59.1 | Low | 131 Ų | 131 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -56.2 | 126.8 | 175.3 | 28.5 | 0 | 0 | 0 | 0 | 110.9 | V37 | T35-V37 PolarHBondContact O-N 3.02Å; T35-V37 VanDerWaalsContact O-N 3.07Å |
| 36 | P | 62.6 | Low | 59 | Low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -74.2 | 104.6 | 179.3 | 28.9 | -32.5 | 0 | 0 | 0 | 109.8 | L38 | P36-L38 PolarHBondContact O-N 2.99Š|
| 37 | V | 57.3 | Low | 58.6 | Low | 133 Ų | 133 | 139.7 Ų | 139.7 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -69.3 | 90.2 | 159.2 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | T35 R39 | T35-V37 PolarHBondContact O-N 3.02Å; T35-V37 VanDerWaalsContact O-N 3.07Å; V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 3.33Å |
| 38 | L | 61.1 | Low | 58.4 | Low | 154 Ų | 154 | 138.7 Ų | 138.7 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | -66.4 | 84.8 | 173.2 | -79.8 | 158.4 | 0 | 0 | 0 | 109.3 | P36 P40 | P36-L38 PolarHBondContact O-N 2.99Å; L38-P40 WeakPolarHBondContact O-CD 3.32Å |
| 39 | R | 61.4 | Low | 58.2 | Low | 228 Ų | 228 | 134.3 Ų | 134.3 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 120 | 161.1 | -125 | 175.9 | -172.6 | 169.2 | 2 | 106.8 | V37 | V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 3.33Å |
| 40 | P | 60.6 | Low | 58.4 | Low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.7 | 177.1 | 23 | -30.5 | 0 | 0 | 0 | 109.2 | L38 A42 | L38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-A42 PolarHBondContact O-N 2.93Å |
| 41 | P | 59.9 | Low | 58.3 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 131.3 | 177.2 | 24.8 | -32.1 | 0 | 0 | 0 | 108.6 | I43 | P41-I43 VanDerWaalsContact C-N 3.33Å; P41-I43 PolarHBondContact O-N 3.03Å |
| 42 | A | 57.8 | Low | 58.7 | Low | 87 Ų | 87 | 127.6 Ų | 127.6 | 72% | 0.719 | 70% | 0.699 | S | S | * | * | | | trans | -62.6 | 96.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P40 T44 | P40-A42 PolarHBondContact O-N 2.93Å; A42-T44 VanDerWaalsContact C-N 3.31Å; A42-T44 PolarHBondContact O-N 3.38Å; A42-T44 PolarHBondContact O-OG1 3.1Å |
| 43 | I | 59 | Low | 58.8 | Low | 147 Ų | 147 | 128.1 Ų | 128.1 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | | | trans | -66.3 | 94 | 174.8 | -62.8 | 169.1 | 0 | 0 | 0 | 107.1 | P41 | P41-I43 VanDerWaalsContact C-N 3.33Å; P41-I43 PolarHBondContact O-N 3.03Å |
| 44 | T | 59.9 | Low | 59.3 | Low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | | | trans | -105.1 | 63.8 | 172.3 | 42.7 | 0 | 0 | 0 | 0 | 108.5 | A42 | A42-T44 VanDerWaalsContact C-N 3.31Å; A42-T44 PolarHBondContact O-N 3.38Å; A42-T44 PolarHBondContact O-OG1 3.1Å |
| 45 | T | 55.7 | Low | 59.5 | Low | 74 Ų | 74 | 122.5 Ų | 122.5 | 45% | 0.454 | 66% | 0.661 | S | S | . | * | | | trans | -122.6 | 93.3 | 173 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | R47 | T45-R47 PolarHBondContact O-N 3.4Å; T45-R47 VanDerWaalsContact O-N 3.1Å |
| 46 | P | 59 | Low | 59.8 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 7.2 | 170.5 | 29.4 | -34.2 | 0 | 0 | 0 | 113.6 | | |
| 47 | R | 56 | Low | 60.2 | Low | 218 Ų | 218 | 121.5 Ų | 121.5 | 82% | 0.823 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -24.4 | -176.5 | -80.9 | -172.9 | 164.4 | 161.9 | -2.9 | 115.3 | T45 T51 | T45-R47 PolarHBondContact O-N 3.4Å; T45-R47 VanDerWaalsContact O-N 3.1Å; R47-T51 PolarHBondContact O-OG1 3.35Å |
| 48 | L | 55.6 | Low | 60.8 | Low | 97 Ų | 97 | 123.1 Ų | 123.1 | 51% | 0.508 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -77.2 | -32.8 | 179.1 | -99.3 | 148.9 | 0 | 0 | 0 | 112.2 | V50 T51 F52 | L48-V50 PolarHBondContact O-N 3.46Å; L48-T51 PolarHBondContact O-N 3.19Å; L48-T51 PolarHBondContact O-OG1 2.91Å; L48-F52 HydrophobicContact CD2-CD2 4.27Å; L48-F52 HydrophobicContact CD2-CE2 3.79Å; L48-F52 VanDerWaalsContact O-CD2 3.31Å; L48-F52 WeakPolarHBondContact O-CD2 3.42Å; L48-F52 PolarHBondContact O-N 3.46Å |
| 49 | D | 56.9 | Low | 61.3 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.7 | -36.9 | 180 | -156.4 | -104.4 | 0 | 0 | 0 | 112.5 | T51 F52 R53 | D49-T51 PolarHBondContact O-N 3.11Å; D49-F52 PolarHBondContact O-N 3.44Å; D49-R53 WeakPolarHBondContact O-CG 3.43Å; D49-R53 PolarHBondContact O-N 2.88Å; D49-R53 IonicContact OD1-CZ 3.25Å; D49-R53 VanDerWaalsContact OD1-CZ 3.25Å; D49-R53 IonicContact OD1-NE 2.7Å; D49-R53 PolarHBondContact OD1-NE 3.3Å; D49-R53 IonicContact OD1-NH2 3.08Å; D49-R53 PolarHBondContact OD1-NH2 2.87Å; D49-R53 VanDerWaalsContact OD1-NH2 3.08Å |
| 50 | V | 58.7 | Low | 61.8 | Low | 95 Ų | 95 | 113.9 Ų | 113.9 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.1 | -39.7 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | L48 N54 | L48-V50 PolarHBondContact O-N 3.46Å; V50-N54 VanDerWaalsContact O-CB 3.32Å; V50-N54 WeakPolarHBondContact O-CB 3.49Å; V50-N54 PolarHBondContact O-N 2.93Å; V50-N54 VanDerWaalsContact O-N 3.11Å |
| 51 | T | 60.1 | Low | 62.3 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 47% | 0.472 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.6 | -39.5 | 176.5 | 39.4 | 0 | 0 | 0 | 0 | 112.6 | R47 L48 D49 N54 V55 | R47-T51 PolarHBondContact O-OG1 3.35Å; L48-T51 PolarHBondContact O-N 3.19Å; L48-T51 PolarHBondContact O-OG1 2.91Å; D49-T51 PolarHBondContact O-N 3.11Å; T51-N54 PolarHBondContact O-N 3.43Å; T51-V55 WeakPolarHBondContact O-CB 3.21Å; T51-V55 WeakPolarHBondContact O-CG2 3.31Å; T51-V55 PolarHBondContact O-N 2.97Å |
| 52 | F | 60.7 | Low | 62.8 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 55% | 0.553 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69 | -42.7 | 177.9 | -86.8 | -75.2 | 0 | 0 | 0 | 112.4 | L48 D49 N54 V55 I56 | L48-F52 HydrophobicContact CD2-CD2 4.27Å; L48-F52 HydrophobicContact CD2-CE2 3.79Å; L48-F52 VanDerWaalsContact O-CD2 3.31Å; L48-F52 WeakPolarHBondContact O-CD2 3.42Å; L48-F52 PolarHBondContact O-N 3.46Å; D49-F52 PolarHBondContact O-N 3.44Å; F52-N54 VanDerWaalsContact C-N 3.31Å; F52-N54 PolarHBondContact O-N 3.07Å; F52-V55 PolarHBondContact O-N 2.75Å; F52-I56 VanDerWaalsContact O-CG1 3.25Å; F52-I56 WeakPolarHBondContact O-CG1 3.44Å; F52-I56 PolarHBondContact O-N 3.38Å |
| 53 | R | 61.6 | Low | 62.5 | Low | 175 Ų | 175 | 114.3 Ų | 114.3 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63 | -38.5 | 175.6 | -71 | -173 | -166.2 | -152.4 | 1.9 | 112.4 | D49 I56 L57 | D49-R53 WeakPolarHBondContact O-CG 3.43Å; D49-R53 PolarHBondContact O-N 2.88Å; D49-R53 IonicContact OD1-CZ 3.25Å; D49-R53 VanDerWaalsContact OD1-CZ 3.25Å; D49-R53 IonicContact OD1-NE 2.7Å; D49-R53 PolarHBondContact OD1-NE 3.3Å; D49-R53 IonicContact OD1-NH2 3.08Å; D49-R53 PolarHBondContact OD1-NH2 2.87Å; D49-R53 VanDerWaalsContact OD1-NH2 3.08Å; R53-I56 PolarHBondContact O-N 2.84Å; R53-L57 WeakPolarHBondContact O-CB 3.25Å; R53-L57 PolarHBondContact O-N 3.29Å |
| 54 | N | 62.4 | Low | 61.8 | Low | 106 Ų | 106 | 116.3 Ų | 116.3 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.1 | -37.2 | 179.3 | -143.3 | 1.5 | 0 | 0 | 0 | 111.6 | V50 T51 F52 W58 | V50-N54 VanDerWaalsContact O-CB 3.32Å; V50-N54 WeakPolarHBondContact O-CB 3.49Å; V50-N54 PolarHBondContact O-N 2.93Å; V50-N54 VanDerWaalsContact O-N 3.11Å; T51-N54 PolarHBondContact O-N 3.43Å; F52-N54 VanDerWaalsContact C-N 3.31Å; F52-N54 PolarHBondContact O-N 3.07Å; N54-W58 WeakPolarHBondContact O-CB 3.44Å; N54-W58 PolarHBondContact O-N 2.92Å |
| 55 | V | 63.4 | Low | 61.9 | Low | 79 Ų | 79 | 116 Ų | 116 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.3 | -44 | 173.1 | 172 | 0 | 0 | 0 | 0 | 111.4 | T51 F52 W58 I59 | T51-V55 WeakPolarHBondContact O-CB 3.21Å; T51-V55 WeakPolarHBondContact O-CG2 3.31Å; T51-V55 PolarHBondContact O-N 2.97Å; F52-V55 PolarHBondContact O-N 2.75Å; V55-W58 PolarHBondContact O-N 3.09Å; V55-I59 HydrophobicContact CG1-CD1 3.77Å; V55-I59 WeakPolarHBondContact O-CD1 3.32Å; V55-I59 VanDerWaalsContact O-CG1 3.23Å; V55-I59 WeakPolarHBondContact O-CG1 3.23Å; V55-I59 PolarHBondContact O-N 3.49Å |
| 56 | I | 65.3 | Low | 62.3 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 56% | 0.559 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.1 | -42.4 | 177.6 | -66.8 | 165.3 | 0 | 0 | 0 | 111 | F52 R53 I59 S60 | F52-I56 VanDerWaalsContact O-CG1 3.25Å; F52-I56 WeakPolarHBondContact O-CG1 3.44Å; F52-I56 PolarHBondContact O-N 3.38Å; R53-I56 PolarHBondContact O-N 2.84Å; I56-I59 PolarHBondContact O-N 3.25Å; I56-S60 WeakPolarHBondContact O-CB 3.44Å; I56-S60 PolarHBondContact O-N 3.49Å |
| 57 | L | 71.1 | Confident | 62.5 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.9 | -41.1 | 176.7 | -167.4 | 75.6 | 0 | 0 | 0 | 111.4 | R53 S60 V61 | R53-L57 WeakPolarHBondContact O-CB 3.25Å; R53-L57 PolarHBondContact O-N 3.29Å; L57-S60 PolarHBondContact O-N 3.28Å; L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.3Å; L57-V61 PolarHBondContact O-N 3.3Å; L57-V61 VanDerWaalsContact O-N 3.08Å |
| 58 | W | 71.3 | Confident | 62.8 | Low | 166 Ų | 166 | 112.9 Ų | 112.9 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.5 | -44.4 | 176.5 | -170.1 | 68.9 | 0 | 0 | 0 | 111.9 | N54 V55 S60 V61 H62 | N54-W58 WeakPolarHBondContact O-CB 3.44Å; N54-W58 PolarHBondContact O-N 2.92Å; V55-W58 PolarHBondContact O-N 3.09Å; W58-S60 VanDerWaalsContact C-N 3.31Å; W58-S60 PolarHBondContact O-N 2.9Å; W58-V61 PolarHBondContact O-N 3.09Å; W58-H62 AromaticContact CE2-CD2 3.64Å; W58-H62 AromaticContact CZ2-CD2 3.81Å; W58-H62 AromaticContact NE1-CD2 3.42Å; W58-H62 PolarHBondContact NE1-CD2 3.38Å; W58-H62 AromaticContact NE1-NE2 3.48Å; W58-H62 PolarHBondContact NE1-NE2 3.43Å; W58-H62 WeakPolarHBondContact O-CB 3.5Å; W58-H62 PolarHBondContact O-N 3.36Å; W58-H62 VanDerWaalsContact O-N 3.09Å |
| 59 | I | 70.4 | Confident | 63.3 | Low | 95 Ų | 95 | 113.9 Ų | 113.9 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.7 | -39.3 | 175.4 | -64.7 | 162.5 | 0 | 0 | 0 | 110.9 | V55 I56 V61 H62 S63 | V55-I59 HydrophobicContact CG1-CD1 3.77Å; V55-I59 WeakPolarHBondContact O-CD1 3.32Å; V55-I59 VanDerWaalsContact O-CG1 3.23Å; V55-I59 WeakPolarHBondContact O-CG1 3.23Å; V55-I59 PolarHBondContact O-N 3.49Å; I56-I59 PolarHBondContact O-N 3.25Å; I59-V61 VanDerWaalsContact C-N 3.34Å; I59-V61 PolarHBondContact O-N 2.98Å; I59-H62 PolarHBondContact O-N 3.09Å; I59-S63 WeakPolarHBondContact O-CB 3.46Å; I59-S63 PolarHBondContact O-N 2.97Å |
| 60 | S | 72.8 | Confident | 63.7 | Low | 94 Ų | 94 | 115.8 Ų | 115.8 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.7 | -23.7 | -179 | -165.2 | 0 | 0 | 0 | 0 | 114.2 | I56 L57 W58 | I56-S60 WeakPolarHBondContact O-CB 3.44Å; I56-S60 PolarHBondContact O-N 3.49Å; L57-S60 PolarHBondContact O-N 3.28Å; W58-S60 VanDerWaalsContact C-N 3.31Å; W58-S60 PolarHBondContact O-N 2.9Å |
| 61 | V | 71.9 | Confident | 64.1 | Low | 105 Ų | 105 | 117.3 Ų | 117.3 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -93.9 | -20.6 | 178.9 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | L57 W58 I59 | L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.3Å; L57-V61 PolarHBondContact O-N 3.3Å; L57-V61 VanDerWaalsContact O-N 3.08Å; W58-V61 PolarHBondContact O-N 3.09Å; I59-V61 VanDerWaalsContact C-N 3.34Å; I59-V61 PolarHBondContact O-N 2.98Å |
| 62 | H | 69.8 | Low | 64.4 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -109.6 | -0.7 | -177.4 | -75.4 | 15.2 | 0 | 0 | 0 | 114.4 | W58 I59 | W58-H62 AromaticContact CE2-CD2 3.64Å; W58-H62 AromaticContact CZ2-CD2 3.81Å; W58-H62 AromaticContact NE1-CD2 3.42Å; W58-H62 PolarHBondContact NE1-CD2 3.38Å; W58-H62 AromaticContact NE1-NE2 3.48Å; W58-H62 PolarHBondContact NE1-NE2 3.43Å; W58-H62 WeakPolarHBondContact O-CB 3.5Å; W58-H62 PolarHBondContact O-N 3.36Å; W58-H62 VanDerWaalsContact O-N 3.09Å; I59-H62 PolarHBondContact O-N 3.09Å |
| 63 | S | 51.9 | Low | 64.7 | Low | 85 Ų | 85 | 119.9 Ų | 119.9 | 59% | 0.594 | 64% | 0.638 | S | S | * | * | | | trans | -91.1 | 119.8 | 167.7 | -157.6 | 0 | 0 | 0 | 0 | 109.1 | I59 | I59-S63 WeakPolarHBondContact O-CB 3.46Å; I59-S63 PolarHBondContact O-N 2.97Å |
| 64 | P | 44.5 | Very low | 65 | Low | 190 Ų | 190 | 114.9 Ų | 114.9 | 100% | 1.234 | 64% | 0.636 | S | S | * | * | | | trans | -66.1 | 0 | 176.8 | 29.3 | -35.2 | 0 | 0 | 0 | 113.1 | | |