| 1 | M | 51 | Low | 52.3 | Low | 236 Ų | 236 | 147.7 Ų | 147.7 | 100% | 1.163 | 81% | 0.81 | S | S | * | * | | | | 0 | 96.6 | 0 | -64.7 | -57.4 | -170 | 0 | 0 | 109.2 | | |
| 2 | P | 50 | Low | 51.8 | Low | 129 Ų | 129 | 142.5 Ų | 142.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -108.1 | 144.5 | 162.9 | -0.9 | 23.6 | 0 | 0 | 0 | 111.4 | | |
| 3 | Q | 50.4 | Low | 52.3 | Low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -57.5 | 134 | -177.1 | -54.9 | -75.1 | 17.1 | 0 | 0 | 113 | | |
| 4 | D | 46.3 | Very low | 52.4 | Low | 167 Ų | 167 | 145.8 Ų | 145.8 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -142 | 101.9 | 147.8 | -86.6 | -55.7 | 0 | 0 | 0 | 109.3 | | |
| 5 | Y | 45.9 | Very low | 52.5 | Low | 186 Ų | 186 | 142.9 Ų | 142.9 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | | | trans | -49.4 | 140.8 | 174.6 | -171.4 | -96.5 | 0 | 0 | 0 | 111.2 | Q7 | Y5-Q7 PolarHBondContact O-N 3Š|
| 6 | P | 57.7 | Low | 52.2 | Low | 105 Ų | 105 | 148.7 Ų | 148.7 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | | | trans | -63.5 | 114.7 | 175.1 | 26.3 | -31.5 | 0 | 0 | 0 | 108.3 | T8 | P6-T8 PolarHBondContact O-N 2.9Š|
| 7 | Q | 55.9 | Low | 51.9 | Low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -48.1 | 109 | 172.2 | -80.8 | 178.7 | -27.7 | 0 | 0 | 108.6 | Y5 A9 | Y5-Q7 PolarHBondContact O-N 3Å; Q7-A9 VanDerWaalsContact C-N 3.3Å; Q7-A9 PolarHBondContact O-N 2.78Å |
| 8 | T | 50 | Low | 51.5 | Low | 109 Ų | 109 | 143.1 Ų | 143.1 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | -57 | 100.5 | 169 | -36.7 | 0 | 0 | 0 | 0 | 105.8 | P6 V10 | P6-T8 PolarHBondContact O-N 2.9Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 2.81Å |
| 9 | A | 52.1 | Low | 51.2 | Low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -58.4 | 101 | -175.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q7 P11 | Q7-A9 VanDerWaalsContact C-N 3.3Å; Q7-A9 PolarHBondContact O-N 2.78Å; A9-P11 WeakPolarHBondContact O-CD 3.2Å; A9-P11 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 59.3 | Low | 51 | Low | 136 Ų | 136 | 142.6 Ų | 142.6 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -61.8 | 114 | 173.8 | -134.4 | 0 | 0 | 0 | 0 | 105.1 | T8 S12 | T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 2.81Å; V10-S12 PolarHBondContact O-N 3.4Å |
| 11 | P | 56.4 | Low | 50.6 | Low | 104 Ų | 104 | 141.6 Ų | 141.6 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -62 | 139 | -179.2 | 23.4 | -30.5 | 0 | 0 | 0 | 108.7 | A9 | A9-P11 WeakPolarHBondContact O-CD 3.2Å; A9-P11 VanDerWaalsContact O-N 3.11Å |
| 12 | S | 47.1 | Very low | 50.3 | Low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | | | trans | -51.7 | 143.1 | 179.5 | 122.2 | 0 | 0 | 0 | 0 | 110.2 | V10 A14 C15 | V10-S12 PolarHBondContact O-N 3.4Å; S12-A14 PolarHBondContact O-N 3.01Å; S12-A14 WeakPolarHBondContact OG-CB 3.49Å; S12-A14 PolarHBondContact OG-N 3.36Å; S12-C15 PolarHBondContact O-N 3.46Å |
| 13 | R | 58.1 | Low | 49.6 | Very low | 245 Ų | 245 | 135.7 Ų | 135.7 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -54.4 | -10.1 | -179 | -82.2 | -174.8 | 171.3 | -145.7 | 0.7 | 114.4 | C15 | R13-C15 VanDerWaalsContact C-N 3.28Å; R13-C15 PolarHBondContact O-N 2.82Å |
| 14 | A | 53.8 | Low | 49.1 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -72.5 | -14.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S12 | S12-A14 PolarHBondContact O-N 3.01Å; S12-A14 WeakPolarHBondContact OG-CB 3.49Å; S12-A14 PolarHBondContact OG-N 3.36Å |
| 15 | C | 53 | Low | 49.4 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -102.6 | 3.6 | -178.5 | -59.7 | 0 | 0 | 0 | 0 | 114 | S12 R13 A17 | S12-C15 PolarHBondContact O-N 3.46Å; R13-C15 VanDerWaalsContact C-N 3.28Å; R13-C15 PolarHBondContact O-N 2.82Å; C15-A17 VanDerWaalsContact C-N 3.27Å; C15-A17 PolarHBondContact O-N 3.27Å |
| 16 | R | 48.3 | Very low | 49.4 | Very low | 235 Ų | 235 | 131.6 Ų | 131.6 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | -92.7 | 46.4 | 178.9 | -157 | -175.5 | -159 | -168.3 | 5.4 | 111.9 | | |
| 17 | A | 46.7 | Very low | 48.6 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -139.1 | 64.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | C15 | C15-A17 VanDerWaalsContact C-N 3.27Å; C15-A17 PolarHBondContact O-N 3.27Å |
| 18 | A | 45 | Very low | 48.5 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -166.8 | 54.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 19 | A | 45.4 | Very low | 48.8 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -118.6 | 129.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 20 | E | 46.7 | Very low | 49.2 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | 92.5 | 89.3 | 171.8 | -50.2 | 179.1 | 131.5 | 0 | 0 | 116.7 | | |
| 21 | S | 44 | Very low | 49.4 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | | -147.1 | 125.6 | 121.8 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 22 | N | 44 | Very low | 50 | Low | 166 Ų | 166 | 133 Ų | 133 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -71.9 | 145.7 | 171.7 | -73.4 | -86.5 | 0 | 0 | 0 | 109.9 | | |
| 23 | G | 36.2 | Very low | 50.9 | Low | 74 Ų | 74 | 136.2 Ų | 136.2 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | trans | 151.3 | 88.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 24 | Q | 39.2 | Very low | 51.4 | Low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | | | trans | 49.7 | 155.5 | 137.1 | -77.1 | -82.6 | -53.5 | 0 | 0 | 123 | | |
| 25 | P | 52.3 | Low | 52.2 | Low | 98 Ų | 98 | 127.9 Ų | 127.9 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -103.1 | 107.7 | -159.6 | 37.3 | -25.9 | 0 | 0 | 0 | 112.5 | | |
| 26 | L | 45.3 | Very low | 52.9 | Low | 159 Ų | 159 | 128.3 Ų | 128.3 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | | | trans | -150.8 | 123 | 162.2 | -72.9 | 173.1 | 0 | 0 | 0 | 103.4 | | |
| 27 | D | 41.6 | Very low | 53.8 | Low | 116 Ų | 116 | 125.3 Ų | 125.3 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | | | | -173.5 | 151.5 | 54.7 | -167.9 | -101.4 | 0 | 0 | 0 | 105.5 | Q29 | D27-Q29 HydrophobicContact CB-CG 4.32Å; D27-Q29 PolarHBondContact O-N 2.7Å |
| 28 | R | 53.9 | Low | 54.8 | Low | 232 Ų | 232 | 127.4 Ų | 127.4 | 88% | 0.875 | 70% | 0.698 | S | S | * | * | | | trans | -67 | 76.2 | 168.8 | -172.4 | 166.5 | 82.3 | 148 | 3.1 | 107.8 | T30 | R28-T30 VanDerWaalsContact C-N 3.34Å; R28-T30 PolarHBondContact O-N 3.07Å |
| 29 | Q | 55.5 | Low | 55.8 | Low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 69% | 0.694 | S | S | * | * | | | trans | -68.1 | 97.5 | 179.2 | -80.2 | 174.3 | 26.7 | 0 | 0 | 107.7 | D27 V31 | D27-Q29 HydrophobicContact CB-CG 4.32Å; D27-Q29 PolarHBondContact O-N 2.7Å; Q29-V31 PolarHBondContact O-N 3.25Å |
| 30 | T | 61.8 | Low | 56.9 | Low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | | | trans | -41.5 | 109 | 154.3 | -59.7 | 0 | 0 | 0 | 0 | 107 | R28 G32 | R28-T30 VanDerWaalsContact C-N 3.34Å; R28-T30 PolarHBondContact O-N 3.07Å; T30-G32 PolarHBondContact O-N 3.43Å |
| 31 | V | 62.7 | Low | 57.5 | Low | 105 Ų | 105 | 125 Ų | 125 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | | | trans | -51.1 | 110.3 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 106.1 | Q29 D35 F36 | Q29-V31 PolarHBondContact O-N 3.25Å; V31-D35 HydrophobicContact CG1-CB 3.92Å; V31-F36 HydrophobicContact CG1-CB 4.43Å |
| 32 | G | 69.4 | Low | 58.3 | Low | 21 Ų | 21 | 124.4 Ų | 124.4 | 22% | 0.216 | 66% | 0.655 | C | S | . | * | | | trans | -60.1 | 147.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | T30 S34 D35 F36 | T30-G32 PolarHBondContact O-N 3.43Å; G32-S34 CarbonylContact O-C 3.58Å; G32-S34 PolarHBondContact O-N 3Å; G32-D35 PolarHBondContact N-OD2 3.24Å; G32-D35 VanDerWaalsContact N-OD2 3.1Å; G32-D35 PolarHBondContact O-N 2.87Å; G32-F36 PolarHBondContact O-N 3.26Å; G32-F36 VanDerWaalsContact O-N 3.13Å |
| 33 | M | 65.9 | Low | 58.8 | Low | 153 Ų | 153 | 122.4 Ų | 122.4 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -52.7 | -30.7 | 172.3 | -68.9 | 175.6 | 64.1 | 0 | 0 | 110.7 | W37 | M33-W37 PolarHBondContact O-N 3.17Å |
| 34 | S | 68.5 | Low | 59.6 | Low | 65 Ų | 65 | 124.2 Ų | 124.2 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -56.5 | -54.1 | 168.6 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | G32 F36 W37 H38 | G32-S34 CarbonylContact O-C 3.58Å; G32-S34 PolarHBondContact O-N 3Å; S34-F36 VanDerWaalsContact C-N 3.25Å; S34-F36 PolarHBondContact O-N 3.41Å; S34-W37 PolarHBondContact O-N 3.1Å; S34-H38 WeakPolarHBondContact O-CB 3.47Å; S34-H38 PolarHBondContact O-N 2.93Å; S34-H38 PolarHBondContact O-ND1 3.14Å |
| 35 | D | 70.8 | Confident | 60.4 | Low | 92 Ų | 92 | 121 Ų | 121 | 49% | 0.492 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.5 | -32.4 | -176.2 | -55.3 | -59.2 | 0 | 0 | 0 | 112.2 | V31 G32 K39 | V31-D35 HydrophobicContact CG1-CB 3.92Å; G32-D35 PolarHBondContact N-OD2 3.24Å; G32-D35 VanDerWaalsContact N-OD2 3.1Å; G32-D35 PolarHBondContact O-N 2.87Å; D35-K39 VanDerWaalsContact O-CB 3.29Å; D35-K39 WeakPolarHBondContact O-CB 3.29Å; D35-K39 PolarHBondContact O-N 3.15Å |
| 36 | F | 67.1 | Low | 60.7 | Low | 112 Ų | 112 | 120.3 Ų | 120.3 | 49% | 0.491 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.2 | -50.7 | 172.4 | 176.6 | -100.3 | 0 | 0 | 0 | 112 | V31 G32 S34 K39 M40 | V31-F36 HydrophobicContact CG1-CB 4.43Å; G32-F36 PolarHBondContact O-N 3.26Å; G32-F36 VanDerWaalsContact O-N 3.13Å; S34-F36 VanDerWaalsContact C-N 3.25Å; S34-F36 PolarHBondContact O-N 3.41Å; F36-K39 PolarHBondContact O-N 2.78Å; F36-M40 HydrophobicContact CZ-CG 4.43Å; F36-M40 WeakPolarHBondContact O-CG 3.37Å; F36-M40 PolarHBondContact O-N 2.76Å; F36-M40 VanDerWaalsContact O-N 3.13Å |
| 37 | W | 66.9 | Low | 61.6 | Low | 171 Ų | 171 | 121.8 Ų | 121.8 | 65% | 0.648 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69 | -34.3 | 177.9 | -68.9 | 114.5 | 0 | 0 | 0 | 112.8 | M33 S34 M40 G41 | M33-W37 PolarHBondContact O-N 3.17Å; S34-W37 PolarHBondContact O-N 3.1Å; W37-M40 PolarHBondContact O-N 2.73Å; W37-G41 WeakPolarHBondContact O-CA 3.4Å; W37-G41 PolarHBondContact O-N 2.85Å |
| 38 | H | 68.2 | Low | 62.8 | Low | 138 Ų | 138 | 121 Ų | 121 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.9 | -38.3 | 176.3 | -76.2 | 84.4 | 0 | 0 | 0 | 111.9 | S34 G41 C42 | S34-H38 WeakPolarHBondContact O-CB 3.47Å; S34-H38 PolarHBondContact O-N 2.93Å; S34-H38 PolarHBondContact O-ND1 3.14Å; H38-G41 PolarHBondContact O-N 2.73Å; H38-C42 PolarHBondContact O-N 2.84Å |
| 39 | K | 67.3 | Low | 63.6 | Low | 180 Ų | 180 | 115.1 Ų | 115.1 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.8 | -33 | 176.2 | -174.8 | 150.6 | 166.7 | -82 | 0 | 112.9 | D35 F36 | D35-K39 VanDerWaalsContact O-CB 3.29Å; D35-K39 WeakPolarHBondContact O-CB 3.29Å; D35-K39 PolarHBondContact O-N 3.15Å; F36-K39 PolarHBondContact O-N 2.78Å |
| 40 | M | 67.1 | Low | 64.4 | Low | 119 Ų | 119 | 113 Ų | 113 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.3 | -27.3 | 173.5 | -65.4 | -66.2 | -75.5 | 0 | 0 | 112.9 | F36 W37 V44 | F36-M40 HydrophobicContact CZ-CG 4.43Å; F36-M40 WeakPolarHBondContact O-CG 3.37Å; F36-M40 PolarHBondContact O-N 2.76Å; F36-M40 VanDerWaalsContact O-N 3.13Å; W37-M40 PolarHBondContact O-N 2.73Å; M40-V44 VanDerWaalsContact O-CG2 3.31Å; M40-V44 WeakPolarHBondContact O-CG2 3.31Å |
| 41 | G | 60.7 | Low | 64.9 | Low | 30 Ų | 30 | 116.4 Ų | 116.4 | 31% | 0.309 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -90.7 | -15.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | W37 H38 C43 V44 | W37-G41 WeakPolarHBondContact O-CA 3.4Å; W37-G41 PolarHBondContact O-N 2.85Å; H38-G41 PolarHBondContact O-N 2.73Å; G41-C43 PolarHBondContact O-N 2.86Å; G41-C43 VanDerWaalsContact O-N 3.07Å; G41-V44 PolarHBondContact O-N 2.98Å |
| 42 | C | 59.4 | Low | 65.5 | Low | 110 Ų | 110 | 120.4 Ų | 120.4 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -24.5 | -175.2 | -171 | 0 | 0 | 0 | 0 | 113.9 | H38 | H38-C42 PolarHBondContact O-N 2.84Š|
| 43 | C | 54.9 | Low | 65.8 | Low | 123 Ų | 123 | 126.3 Ų | 126.3 | 83% | 0.831 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 0.7 | 175.2 | -61 | 0 | 0 | 0 | 0 | 113.9 | G41 | G41-C43 PolarHBondContact O-N 2.86Å; G41-C43 VanDerWaalsContact O-N 3.07Å |
| 44 | V | 53.1 | Low | 66.5 | Low | 112 Ų | 112 | 129.5 Ų | 129.5 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 8.6 | -174 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | M40 G41 A46 | M40-V44 VanDerWaalsContact O-CG2 3.31Å; M40-V44 WeakPolarHBondContact O-CG2 3.31Å; G41-V44 PolarHBondContact O-N 2.98Å; V44-A46 PolarHBondContact O-N 2.84Å |
| 45 | V | 55 | Low | 67.4 | Low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -72.9 | 83.4 | 152.4 | 176.4 | 0 | 0 | 0 | 0 | 106 | K47 | V45-K47 PolarHBondContact O-N 3.13Š|
| 46 | A | 60.6 | Low | 68.3 | Low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | | | trans | -49.8 | 106.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | V44 P48 | V44-A46 PolarHBondContact O-N 2.84Å; A46-P48 WeakPolarHBondContact O-CD 3.48Å |
| 47 | K | 63.5 | Low | 69.5 | Low | 190 Ų | 190 | 143.2 Ų | 143.2 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -49 | 119.2 | 169.8 | -81.9 | -179.5 | 173.7 | 172.2 | 0 | 105.1 | V45 | V45-K47 PolarHBondContact O-N 3.13Š|
| 48 | P | 65.8 | Low | 70.7 | Confident | 100 Ų | 100 | 139.4 Ų | 139.4 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -52 | 133.5 | -179.6 | 19.3 | -30.6 | 0 | 0 | 0 | 106.8 | A46 P50 | A46-P48 WeakPolarHBondContact O-CD 3.48Å; P48-P50 VanDerWaalsContact O-N 3.14Å |
| 49 | P | 71.6 | Confident | 71.8 | Confident | 109 Ų | 109 | 143.3 Ų | 143.3 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 129.7 | -175.5 | 18.5 | -31 | 0 | 0 | 0 | 107.4 | K51 | P49-K51 PolarHBondContact O-N 3.41Š|
| 50 | P | 71.8 | Confident | 73 | Confident | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | | | trans | -52.2 | 114.8 | -173 | 18.8 | -30.8 | 0 | 0 | 0 | 107.1 | P48 K52 | P48-P50 VanDerWaalsContact O-N 3.14Å; P50-K52 PolarHBondContact O-N 2.87Å |
| 51 | K | 71.9 | Confident | 74.2 | Confident | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | | | trans | -60.9 | 97.1 | 178.8 | -71.7 | -178.9 | -179.2 | 178.5 | 0 | 105.3 | P49 N53 | P49-K51 PolarHBondContact O-N 3.41Å; K51-N53 PolarHBondContact O-N 2.68Å |
| 52 | K | 76 | Confident | 75.8 | Confident | 188 Ų | 188 | 143.8 Ų | 143.8 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | | | trans | -62.9 | 94.2 | 175.3 | -66.1 | -176.8 | -177 | 179.4 | 0 | 105.1 | P50 R54 | P50-K52 PolarHBondContact O-N 2.87Å; K52-R54 PolarHBondContact O-N 3.18Å |
| 53 | N | 76.9 | Confident | 77.5 | Confident | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | | | trans | -68.6 | 88.4 | 176.4 | -164.6 | -16.3 | 0 | 0 | 0 | 106.1 | K51 R55 | K51-N53 PolarHBondContact O-N 2.68Å; N53-R55 PolarHBondContact O-N 3.3Å; N53-R55 VanDerWaalsContact O-N 3.15Å |
| 54 | R | 79.9 | Confident | 79.5 | Confident | 220 Ų | 220 | 139.7 Ų | 139.7 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 118.9 | 175.3 | -72.1 | -176 | 76.8 | 170.1 | 3.5 | 105.7 | K52 K56 | K52-R54 PolarHBondContact O-N 3.18Å; R54-K56 PolarHBondContact O-N 3.17Å; R54-K56 VanDerWaalsContact O-N 3.14Å |
| 55 | R | 86.7 | Confident | 81.4 | Confident | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123 | 175.8 | -65.2 | -179.9 | -179.6 | 172.9 | -0.7 | 107.9 | N53 | N53-R55 PolarHBondContact O-N 3.3Å; N53-R55 VanDerWaalsContact O-N 3.15Å |
| 56 | K | 90.1 | Very high | 83.3 | Confident | 191 Ų | 191 | 138.1 Ų | 138.1 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 137.8 | 175.1 | -68.3 | -178 | 179 | -178.7 | 0 | 108.1 | R54 | R54-K56 PolarHBondContact O-N 3.17Å; R54-K56 VanDerWaalsContact O-N 3.14Å |
| 57 | I | 92.3 | Very high | 84.9 | Confident | 126 Ų | 126 | 140.9 Ų | 140.9 | 65% | 0.646 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 120.5 | 173.8 | -57.3 | 174.1 | 0 | 0 | 0 | 107.2 | M61 I62 | I57-M61 VanDerWaalsContact CA-CE 3.47Å; I57-M61 HydrophobicContact CB-CE 4.28Å; I57-M61 HydrophobicContact CG2-CB 3.9Å; I57-M61 HydrophobicContact CG2-CE 4.05Å; I57-I62 HydrophobicContact CG2-CD1 4.29Å; I57-I62 HydrophobicContact CG2-CG1 3.83Å |
| 58 | D | 92.8 | Very high | 86.3 | Confident | 90 Ų | 90 | 140.4 Ų | 140.4 | 48% | 0.481 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -82 | 156 | 170.4 | -178.5 | 35.6 | 0 | 0 | 0 | 111 | S60 M61 | D58-S60 PolarHBondContact O-N 3.04Å; D58-S60 PolarHBondContact OD2-OG 2.9Å; D58-M61 HydrophobicContact CB-CE 4.03Å; D58-M61 WeakPolarHBondContact O-CB 3.32Å; D58-M61 PolarHBondContact O-N 2.97Å |
| 59 | R | 90.2 | Very high | 87.7 | Confident | 220 Ų | 220 | 142 Ų | 142 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -57.4 | -33.8 | -177.8 | -65.7 | 152 | 175.3 | 174 | -3.8 | 112.5 | M61 I62 | R59-M61 PolarHBondContact O-N 3.13Å; R59-I62 PolarHBondContact O-N 2.86Å; R59-I62 VanDerWaalsContact O-N 3.17Å |
| 60 | S | 92.9 | Very high | 88.9 | Confident | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -62.2 | -22.5 | 174.8 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | D58 | D58-S60 PolarHBondContact O-N 3.04Å; D58-S60 PolarHBondContact OD2-OG 2.9Å |
| 61 | M | 93.4 | Very high | 89.8 | Confident | 120 Ų | 120 | 145.4 Ų | 145.4 | 59% | 0.591 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -90.3 | -5.8 | 178.8 | -62.8 | -168.7 | -75.8 | 0 | 0 | 113.3 | I57 D58 R59 | I57-M61 VanDerWaalsContact CA-CE 3.47Å; I57-M61 HydrophobicContact CB-CE 4.28Å; I57-M61 HydrophobicContact CG2-CB 3.9Å; I57-M61 HydrophobicContact CG2-CE 4.05Å; D58-M61 HydrophobicContact CB-CE 4.03Å; D58-M61 WeakPolarHBondContact O-CB 3.32Å; D58-M61 PolarHBondContact O-N 2.97Å; R59-M61 PolarHBondContact O-N 3.13Å |
| 62 | I | 93.1 | Very high | 90.6 | Very high | 120 Ų | 120 | 141.4 Ų | 141.4 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | | | trans | -99.7 | 105.3 | -179.7 | -54.2 | 177.2 | 0 | 0 | 0 | 108.7 | I57 R59 | I57-I62 HydrophobicContact CG2-CD1 4.29Å; I57-I62 HydrophobicContact CG2-CG1 3.83Å; R59-I62 PolarHBondContact O-N 2.86Å; R59-I62 VanDerWaalsContact O-N 3.17Å |
| 63 | G | 95.4 | Very high | 91.2 | Very high | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 71% | 0.706 | S | S | * | * | | | trans | -77.3 | -173.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 64 | A | 96.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 136.4 Ų | 136.4 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | | | trans | -65.4 | 141.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T66 | A64-T66 PolarHBondContact O-N 3.33Š|
| 65 | P | 94.5 | Very high | 91.9 | Very high | 102 Ų | 102 | 127 Ų | 127 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | | | trans | -66.3 | 127.4 | 178.7 | 27.8 | -33.4 | 0 | 0 | 0 | 110 | F68 | P65-F68 HydrophobicContact CB-CE1 4.46Å; P65-F68 HydrophobicContact CB-CZ 4.03Å; P65-F68 HydrophobicContact CG-CZ 4.28Å |
| 66 | T | 94.8 | Very high | 91.2 | Very high | 100 Ų | 100 | 121.4 Ų | 121.4 | 61% | 0.613 | 66% | 0.661 | S | S | * | * | | | trans | -137.1 | 165.7 | 176.3 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | A64 | A64-T66 PolarHBondContact O-N 3.33Š|
| 67 | N | 93.6 | Very high | 90.1 | Very high | 139 Ų | 139 | 115.7 Ų | 115.7 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | | | trans | 62.5 | 57.6 | 178.8 | -44.5 | -61.8 | 0 | 0 | 0 | 113 | I69 | N67-I69 PolarHBondContact O-N 3.17Š|
| 68 | F | 93.8 | Very high | 88.6 | Confident | 180 Ų | 180 | 113.8 Ų | 113.8 | 79% | 0.789 | 64% | 0.644 | S | S | * | * | | | trans | -63.8 | 118.7 | 173.1 | -65.2 | -82.7 | 0 | 0 | 0 | 109.9 | P65 | P65-F68 HydrophobicContact CB-CE1 4.46Å; P65-F68 HydrophobicContact CB-CZ 4.03Å; P65-F68 HydrophobicContact CG-CZ 4.28Å |
| 69 | I | 95.1 | Very high | 86.9 | Confident | 135 Ų | 135 | 114.8 Ų | 114.8 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | | | trans | -114.8 | 124.8 | 175 | -55.7 | 173.5 | 0 | 0 | 0 | 107.1 | N67 L71 | N67-I69 PolarHBondContact O-N 3.17Å; I69-L71 HydrophobicContact CB-CD1 3.89Å; I69-L71 HydrophobicContact CG2-CD1 3.8Å; I69-L71 WeakPolarHBondContact O-CD1 3.22Å; I69-L71 PolarHBondContact O-N 3.28Å |
| 70 | H | 95 | Very high | 85.3 | Confident | 147 Ų | 147 | 107.5 Ų | 107.5 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | | | trans | -81.2 | 101.1 | 172.9 | -171.3 | -161.3 | 0 | 0 | 0 | 108.5 | | |
| 71 | L | 92.3 | Very high | 83.6 | Confident | 144 Ų | 144 | 110.4 Ų | 110.4 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | | | trans | -77.5 | -45.8 | -174.8 | -88.2 | 66.3 | 0 | 0 | 0 | 112.4 | I69 | I69-L71 HydrophobicContact CB-CD1 3.89Å; I69-L71 HydrophobicContact CG2-CD1 3.8Å; I69-L71 WeakPolarHBondContact O-CD1 3.22Å; I69-L71 PolarHBondContact O-N 3.28Å |
| 72 | T | 87.7 | Confident | 81.8 | Confident | 114 Ų | 114 | 108.1 Ų | 108.1 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | | | trans | -155.7 | 134.2 | -172.4 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | I74 | T72-I74 HydrophobicContact CG2-CG1 4.41Š|
| 73 | H | 89.4 | Confident | 80.1 | Confident | 139 Ų | 139 | 109.8 Ų | 109.8 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | | | trans | -113.2 | 118.1 | 175.2 | 178.8 | -94.8 | 0 | 0 | 0 | 109.3 | | |
| 74 | I | 85.2 | Confident | 78.3 | Confident | 90 Ų | 90 | 114.2 Ų | 114.2 | 46% | 0.462 | 67% | 0.668 | S | S | . | * | | | trans | -101.6 | 103.7 | 174.3 | -65.7 | -175.9 | 0 | 0 | 0 | 106.7 | T72 E78 M79 | T72-I74 HydrophobicContact CG2-CG1 4.41Å; I74-E78 HydrophobicContact CB-CG 4.32Å; I74-E78 WeakPolarHBondContact CG1-OE1 3.2Å; I74-E78 HydrophobicContact CG2-CG 3.6Å; I74-E78 WeakPolarHBondContact CG2-OE1 3.48Å; I74-M79 HydrophobicContact CG2-CE 3.8Å |
| 75 | G | 86.5 | Confident | 76.6 | Confident | 22 Ų | 22 | 113.5 Ų | 113.5 | 23% | 0.227 | 66% | 0.656 | C | S | . | * | | | trans | -88.2 | 155.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G77 E78 | G75-G77 PolarHBondContact O-N 3.42Å; G75-E78 WeakPolarHBondContact O-CG 3.4Å; G75-E78 PolarHBondContact O-N 3.2Å |
| 76 | S | 72.2 | Confident | 74.9 | Confident | 124 Ų | 124 | 111.3 Ų | 111.3 | 87% | 0.867 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -2.4 | -179 | -53.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 77 | G | 66.3 | Low | 73.5 | Confident | 71 Ų | 71 | 108.9 Ų | 108.9 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115 | G75 | G75-G77 PolarHBondContact O-N 3.42Š|
| 78 | E | 61.4 | Low | 71.8 | Confident | 86 Ų | 86 | 106 Ų | 106 | 40% | 0.402 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -81.9 | -18.7 | -176.8 | 76.7 | 101.9 | 104.3 | 0 | 0 | 113.3 | I74 G75 G80 | I74-E78 HydrophobicContact CB-CG 4.32Å; I74-E78 WeakPolarHBondContact CG1-OE1 3.2Å; I74-E78 HydrophobicContact CG2-CG 3.6Å; I74-E78 WeakPolarHBondContact CG2-OE1 3.48Å; G75-E78 WeakPolarHBondContact O-CG 3.4Å; G75-E78 PolarHBondContact O-N 3.2Å; E78-G80 PolarHBondContact O-N 3.24Å; E78-G80 VanDerWaalsContact O-N 3.11Å |
| 79 | M | 56.8 | Low | 70.5 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 55% | 0.547 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -72.2 | -1.3 | 177.4 | -58.4 | 123.4 | -174.6 | 0 | 0 | 113.9 | I74 | I74-M79 HydrophobicContact CG2-CE 3.8Š|
| 80 | G | 56.9 | Low | 69.1 | Low | 66 Ų | 66 | 100.2 Ų | 100.2 | 68% | 0.68 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -73.7 | -26.3 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | E78 G82 | E78-G80 PolarHBondContact O-N 3.24Å; E78-G80 VanDerWaalsContact O-N 3.11Å; G80-G82 PolarHBondContact O-N 3.11Å |
| 81 | D | 56.5 | Low | 67.7 | Low | 161 Ų | 161 | 99.9 Ų | 99.9 | 86% | 0.861 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -98.8 | 32.9 | -174.7 | -76.2 | -25.4 | 0 | 0 | 0 | 113.4 | L83 | D81-L83 PolarHBondContact O-N 2.86Š|
| 82 | G | 54.9 | Low | 66.4 | Low | 72 Ų | 72 | 99.3 Ų | 99.3 | 74% | 0.742 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 64.7 | 1.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | G80 Q84 | G80-G82 PolarHBondContact O-N 3.11Å; G82-Q84 PolarHBondContact O-N 3.17Å |
| 83 | L | 58.4 | Low | 65.4 | Low | 155 Ų | 155 | 100.8 Ų | 100.8 | 81% | 0.812 | 60% | 0.601 | S | S | * | * | | | trans | -90.4 | 98.1 | 175.8 | -165.7 | 62.8 | 0 | 0 | 0 | 109 | D81 P85 | D81-L83 PolarHBondContact O-N 2.86Å; L83-P85 WeakPolarHBondContact O-CD 3.3Å; L83-P85 VanDerWaalsContact O-N 3.11Å |
| 84 | Q | 57.9 | Low | 64.3 | Low | 157 Ų | 157 | 104 Ų | 104 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | | | trans | -40.9 | 117.2 | 172.3 | -71.4 | -73 | -3 | 0 | 0 | 110.7 | G82 S86 | G82-Q84 PolarHBondContact O-N 3.17Å; Q84-S86 PolarHBondContact O-N 3.06Å |
| 85 | P | 59.6 | Low | 63.4 | Low | 68 Ų | 68 | 104.5 Ų | 104.5 | 44% | 0.442 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -81.4 | 54.7 | 174 | 35 | -33.7 | 0 | 0 | 0 | 108.7 | L83 Q90 | L83-P85 WeakPolarHBondContact O-CD 3.3Å; L83-P85 VanDerWaalsContact O-N 3.11Å; P85-Q90 PolarHBondContact O-OE1 2.93Å; P85-Q90 VanDerWaalsContact O-OE1 3.04Å |
| 86 | S | 58.3 | Low | 62.6 | Low | 56 Ų | 56 | 112.6 Ų | 112.6 | 39% | 0.392 | 65% | 0.648 | S | S | . | * | | | trans | -130.7 | 61.7 | 177.4 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | Q84 Q90 | Q84-S86 PolarHBondContact O-N 3.06Å; S86-Q90 PolarHBondContact OG-OE1 2.93Å; S86-Q90 VanDerWaalsContact OG-OE1 3.09Å |
| 87 | G | 66.3 | Low | 62.5 | Low | 50 Ų | 50 | 109.4 Ų | 109.4 | 52% | 0.515 | 64% | 0.635 | S | S | . | * | | | trans | -65 | 162.7 | 159 | 0 | 0 | 0 | 0 | 0 | 110.6 | V89 Q90 | G87-V89 PolarHBondContact O-N 3.33Å; G87-Q90 PolarHBondContact O-N 3.03Å |
| 88 | S | 58.3 | Low | 62.3 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -42.9 | -22.5 | -177.3 | 57.7 | 0 | 0 | 0 | 0 | 116.3 | Q92 | S88-Q92 WeakPolarHBondContact O-CB 3.16Å; S88-Q92 WeakPolarHBondContact O-CG 3.42Å; S88-Q92 PolarHBondContact O-N 3.2Å |
| 89 | V | 64.8 | Low | 62.3 | Low | 92 Ų | 92 | 113.5 Ų | 113.5 | 56% | 0.558 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.5 | -44.5 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | G87 E91 Q92 M93 | G87-V89 PolarHBondContact O-N 3.33Å; V89-E91 VanDerWaalsContact C-N 3.28Å; V89-E91 PolarHBondContact O-N 3.39Å; V89-Q92 PolarHBondContact O-N 2.76Å; V89-M93 HydrophobicContact CG1-SD 3.97Å; V89-M93 VanDerWaalsContact O-CG 3.3Å; V89-M93 WeakPolarHBondContact O-CG 3.2Å; V89-M93 PolarHBondContact O-N 3.41Å |
| 90 | Q | 66.9 | Low | 62.5 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 47% | 0.472 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66 | -35.6 | -179.5 | -170.2 | 173.5 | 16.5 | 0 | 0 | 111.3 | P85 S86 G87 M93 R94 | P85-Q90 PolarHBondContact O-OE1 2.93Å; P85-Q90 VanDerWaalsContact O-OE1 3.04Å; S86-Q90 PolarHBondContact OG-OE1 2.93Å; S86-Q90 VanDerWaalsContact OG-OE1 3.09Å; G87-Q90 PolarHBondContact O-N 3.03Å; Q90-M93 PolarHBondContact O-N 3.09Å; Q90-R94 PolarHBondContact O-N 2.95Å |
| 91 | E | 65 | Low | 62.6 | Low | 140 Ų | 140 | 118.9 Ų | 118.9 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.2 | -35.2 | 178.7 | -152.6 | 150.4 | -144.6 | 0 | 0 | 112.1 | V89 M93 R94 | V89-E91 VanDerWaalsContact C-N 3.28Å; V89-E91 PolarHBondContact O-N 3.39Å; E91-M93 VanDerWaalsContact C-N 3.35Å; E91-R94 PolarHBondContact O-N 2.86Å |
| 92 | Q | 64.9 | Low | 62.5 | Low | 132 Ų | 132 | 117.1 Ų | 117.1 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.5 | -34.9 | 171.8 | -74.2 | 172.8 | 19.1 | 0 | 0 | 112.7 | S88 V89 S95 | S88-Q92 WeakPolarHBondContact O-CB 3.16Å; S88-Q92 WeakPolarHBondContact O-CG 3.42Å; S88-Q92 PolarHBondContact O-N 3.2Å; V89-Q92 PolarHBondContact O-N 2.76Å; Q92-S95 PolarHBondContact O-OG 2.84Å |
| 93 | M | 67.3 | Low | 62.7 | Low | 145 Ų | 145 | 124.7 Ų | 124.7 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -78.7 | -17.3 | 179.6 | -68.5 | 177.4 | 70.6 | 0 | 0 | 113.6 | V89 Q90 E91 S95 | V89-M93 HydrophobicContact CG1-SD 3.97Å; V89-M93 VanDerWaalsContact O-CG 3.3Å; V89-M93 WeakPolarHBondContact O-CG 3.2Å; V89-M93 PolarHBondContact O-N 3.41Å; Q90-M93 PolarHBondContact O-N 3.09Å; E91-M93 VanDerWaalsContact C-N 3.35Å; M93-S95 PolarHBondContact O-N 3.23Å |
| 94 | R | 66.5 | Low | 62.6 | Low | 205 Ų | 205 | 124.4 Ų | 124.4 | 77% | 0.774 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -3.7 | 173.3 | -97.2 | -173.2 | 163.4 | -176 | -2.6 | 114.5 | Q90 E91 K96 | Q90-R94 PolarHBondContact O-N 2.95Å; E91-R94 PolarHBondContact O-N 2.86Å; R94-K96 PolarHBondContact O-N 3.04Å; R94-K96 VanDerWaalsContact O-N 3.11Å |
| 95 | S | 65 | Low | 62.4 | Low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -3.9 | -177.5 | 57 | 0 | 0 | 0 | 0 | 115.5 | Q92 M93 G97 | Q92-S95 PolarHBondContact O-OG 2.84Å; M93-S95 PolarHBondContact O-N 3.23Å; S95-G97 PolarHBondContact O-N 3.11Å; S95-G97 VanDerWaalsContact O-N 3.17Å |
| 96 | K | 71.2 | Confident | 62.2 | Low | 191 Ų | 191 | 126.5 Ų | 126.5 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -79.3 | 98.9 | 168.2 | -71.5 | -174.8 | 177.3 | -173 | 0 | 108.9 | R94 | R94-K96 PolarHBondContact O-N 3.04Å; R94-K96 VanDerWaalsContact O-N 3.11Å |
| 97 | G | 68.7 | Low | 61.6 | Low | 57 Ų | 57 | 135.6 Ų | 135.6 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | | | trans | -53 | 161.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S95 N99 | S95-G97 PolarHBondContact O-N 3.11Å; S95-G97 VanDerWaalsContact O-N 3.17Å; G97-N99 PolarHBondContact O-N 3.09Å |
| 98 | P | 62.6 | Low | 61.4 | Low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | | | trans | -56.8 | 128.4 | -172 | 23.7 | -33.1 | 0 | 0 | 0 | 110.7 | M100 | P98-M100 HydrophobicContact CB-CE 3.75Å; P98-M100 HydrophobicContact CG-CE 3.86Å; P98-M100 PolarHBondContact O-N 3.34Å; P98-M100 VanDerWaalsContact O-N 3.09Å |
| 99 | N | 62.7 | Low | 61.6 | Low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | trans | -67 | 107.3 | 175.6 | -173.5 | -59.6 | 0 | 0 | 0 | 108 | G97 N101 | G97-N99 PolarHBondContact O-N 3.09Å; N99-N101 PolarHBondContact O-N 3.23Å; N99-N101 WeakPolarHBondContact OD1-CA 3.4Å; N99-N101 WeakPolarHBondContact OD1-CB 3.41Å; N99-N101 PolarHBondContact OD1-N 2.82Å |
| 100 | M | 60.6 | Low | 61.4 | Low | 153 Ų | 153 | 145.9 Ų | 145.9 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | -76.2 | 8 | -180 | -54.8 | -80.8 | 82.5 | 0 | 0 | 113 | P98 C102 | P98-M100 HydrophobicContact CB-CE 3.75Å; P98-M100 HydrophobicContact CG-CE 3.86Å; P98-M100 PolarHBondContact O-N 3.34Å; P98-M100 VanDerWaalsContact O-N 3.09Å; M100-C102 PolarHBondContact O-N 3.42Å |
| 101 | N | 58.5 | Low | 61.1 | Low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -95.5 | 62.6 | -175.7 | -161.8 | 52.2 | 0 | 0 | 0 | 112.5 | N99 | N99-N101 PolarHBondContact O-N 3.23Å; N99-N101 WeakPolarHBondContact OD1-CA 3.4Å; N99-N101 WeakPolarHBondContact OD1-CB 3.41Å; N99-N101 PolarHBondContact OD1-N 2.82Å |
| 102 | C | 53.8 | Low | 60.8 | Low | 124 Ų | 124 | 149.1 Ų | 149.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -142.5 | 62.1 | 157.3 | -75.7 | 0 | 0 | 0 | 0 | 109.1 | M100 | M100-C102 PolarHBondContact O-N 3.42Š|
| 103 | R | 60 | Low | 60.6 | Low | 231 Ų | 231 | 150.2 Ų | 150.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -126.8 | 78 | 159.9 | -82.9 | -173.8 | 176.3 | 172.4 | -1 | 108 | | |
| 104 | N | 56.6 | Low | 60.1 | Low | 149 Ų | 149 | 150.6 Ų | 150.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | 174.2 | 82.8 | 146.1 | -92 | -33.2 | 0 | 0 | 0 | 109.1 | | |
| 105 | S | 53.3 | Low | 59.6 | Low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -120.6 | 90.1 | 143.5 | 57.8 | 0 | 0 | 0 | 0 | 105.7 | L107 | S105-L107 PolarHBondContact O-N 3.31Š|
| 106 | L | 56 | Low | 59.1 | Low | 152 Ų | 152 | 150.1 Ų | 150.1 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | | | trans | -62.7 | 112.6 | 160.4 | -111.2 | 115.5 | 0 | 0 | 0 | 106.9 | | |
| 107 | L | 45.8 | Very low | 58 | Low | 246 Ų | 246 | 146.4 Ų | 146.4 | 100% | 1.288 | 81% | 0.81 | S | S | * | * | | | trans | 163.3 | 0 | 146.1 | -89.9 | 149.3 | 0 | 0 | 0 | 109 | S105 | S105-L107 PolarHBondContact O-N 3.31Š|