| 1 | P | 50.7 | Low | 56 | Low | 185 Ų | 185 | 142.2 Ų | 142.2 | 100% | 1.201 | 75% | 0.745 | S | S | * | * | | | | 0 | 107.9 | 0 | 23.2 | -3.2 | 0 | 0 | 0 | 111 | | |
| 2 | S | 49.3 | Very low | 55.7 | Low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | -69.1 | 133.8 | -165.8 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | V4 | S2-V4 PolarHBondContact O-N 2.83Š|
| 3 | S | 58 | Low | 55.1 | Low | 72 Ų | 72 | 142.1 Ų | 142.1 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | | | trans | -73.6 | 104.7 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | W5 K6 | S3-W5 PolarHBondContact O-N 3Å; S3-K6 PolarHBondContact O-N 2.94Å; S3-K6 VanDerWaalsContact O-N 3.14Å |
| 4 | V | 60.7 | Low | 55.7 | Low | 108 Ų | 108 | 135.7 Ų | 135.7 | 66% | 0.655 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -7.6 | -179.1 | -74.2 | 0 | 0 | 0 | 0 | 114.4 | S2 | S2-V4 PolarHBondContact O-N 2.83Š|
| 5 | W | 55.2 | Low | 55.9 | Low | 233 Ų | 233 | 139.1 Ų | 139.1 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 4.5 | -177.5 | -52.9 | -16.5 | 0 | 0 | 0 | 112.8 | S3 D7 | S3-W5 PolarHBondContact O-N 3Å; W5-D7 VanDerWaalsContact C-N 3.29Å |
| 6 | K | 54.5 | Low | 55.6 | Low | 148 Ų | 148 | 138.8 Ų | 138.8 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | | | trans | -94.3 | 24.5 | 170.9 | -80.9 | -173.7 | 172 | -174.3 | 0 | 112.3 | S3 H8 | S3-K6 PolarHBondContact O-N 2.94Å; S3-K6 VanDerWaalsContact O-N 3.14Å; K6-H8 PolarHBondContact O-N 3.21Å; K6-H8 PolarHBondContact O-ND1 3.19Å |
| 7 | D | 56.9 | Low | 55.3 | Low | 119 Ų | 119 | 140.3 Ų | 140.3 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | -69.4 | 103.6 | 164.9 | -72.6 | -23.2 | 0 | 0 | 0 | 107.1 | W5 T9 | W5-D7 VanDerWaalsContact C-N 3.29Å; D7-T9 HydrophobicContact CB-CG2 4.16Å; D7-T9 PolarHBondContact O-N 3.47Å; D7-T9 PolarHBondContact O-OG1 2.87Å |
| 8 | H | 58.7 | Low | 55.2 | Low | 129 Ų | 129 | 140.9 Ų | 140.9 | 60% | 0.597 | 75% | 0.746 | S | S | * | * | | | trans | -69.1 | 23.5 | 176.6 | -70.2 | 65.9 | 0 | 0 | 0 | 111.9 | K6 W10 S11 | K6-H8 PolarHBondContact O-N 3.21Å; K6-H8 PolarHBondContact O-ND1 3.19Å; H8-W10 PolarHBondContact O-N 3.25Å; H8-S11 PolarHBondContact O-N 3.45Å; H8-S11 VanDerWaalsContact O-N 3.15Å |
| 9 | T | 56.5 | Low | 55.1 | Low | 115 Ų | 115 | 139.8 Ų | 139.8 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -11.8 | -171.2 | 42.9 | 0 | 0 | 0 | 0 | 113.2 | D7 | D7-T9 HydrophobicContact CB-CG2 4.16Å; D7-T9 PolarHBondContact O-N 3.47Å; D7-T9 PolarHBondContact O-OG1 2.87Å |
| 10 | W | 58.1 | Low | 55.3 | Low | 253 Ų | 253 | 138.5 Ų | 138.5 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -6.4 | 175.1 | -70.9 | -14.7 | 0 | 0 | 0 | 116.2 | H8 | H8-W10 PolarHBondContact O-N 3.25Š|
| 11 | S | 57.4 | Low | 55.5 | Low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | -148 | 90.1 | 178.8 | -162.6 | 0 | 0 | 0 | 0 | 111.9 | H8 | H8-S11 PolarHBondContact O-N 3.45Å; H8-S11 VanDerWaalsContact O-N 3.15Å |
| 12 | T | 52.5 | Low | 55.6 | Low | 98 Ų | 98 | 134.3 Ų | 134.3 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | | | trans | -153.7 | 81.7 | 148.4 | -22.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 13 | Q | 48.3 | Very low | 55.7 | Low | 185 Ų | 185 | 134.6 Ų | 134.6 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | | | trans | -139.1 | 45.4 | 139.8 | -67.4 | -157.9 | -9.3 | 0 | 0 | 109.7 | | |
| 14 | G | 62.8 | Low | 55.3 | Low | 53 Ų | 53 | 141 Ų | 141 | 55% | 0.546 | 74% | 0.74 | S | S | . | * | | | | -75.9 | 120.6 | 129.7 | 0 | 0 | 0 | 0 | 0 | 103 | | |
| 15 | E | 58.3 | Low | 54.8 | Low | 187 Ų | 187 | 140.4 Ų | 140.4 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | S | Bend | cis | -155.6 | 150.3 | 43.6 | -44 | -175.9 | 177.1 | 0 | 0 | 106.9 | | |
| 16 | N | 51.6 | Low | 54.2 | Low | 134 Ų | 134 | 138.2 Ų | 138.2 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | trans | 94.4 | 64.3 | 170.1 | -151.8 | -2 | 0 | 0 | 0 | 118.5 | L18 | N16-L18 VanDerWaalsContact C-N 3.26Å; N16-L18 PolarHBondContact O-N 3.25Å; N16-L18 PolarHBondContact OD1-N 2.88Å |
| 17 | I | 49.9 | Very low | 53.6 | Low | 164 Ų | 164 | 135.7 Ų | 135.7 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | trans | -88.7 | 39.8 | 163.4 | -31.7 | 172.6 | 0 | 0 | 0 | 111.3 | | |
| 18 | L | 54.4 | Low | 53.1 | Low | 152 Ų | 152 | 139.5 Ų | 139.5 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -119.1 | 1.3 | -174.4 | -83.5 | 174.2 | 0 | 0 | 0 | 116.9 | N16 | N16-L18 VanDerWaalsContact C-N 3.26Å; N16-L18 PolarHBondContact O-N 3.25Å; N16-L18 PolarHBondContact OD1-N 2.88Å |
| 19 | V | 53.8 | Low | 52.2 | Low | 119 Ų | 119 | 137.1 Ų | 137.1 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -144 | 113.4 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 20 | P | 57.8 | Low | 51.5 | Low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.8 | 163.7 | -14.6 | 27.9 | 0 | 0 | 0 | 109.7 | | |
| 21 | P | 59.4 | Low | 50.5 | Low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.5 | 176.1 | 25.7 | -32 | 0 | 0 | 0 | 110.5 | S23 | P21-S23 PolarHBondContact O-N 3.47Š|
| 22 | P | 53.2 | Low | 50 | Low | 125 Ų | 125 | 128.9 Ų | 128.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.9 | -175.9 | 25.6 | -32.1 | 0 | 0 | 0 | 110.1 | R24 | P22-R24 PolarHBondContact O-N 2.85Å; P22-R24 VanDerWaalsContact O-N 3.1Å |
| 23 | S | 51.9 | Low | 50.1 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -55.2 | 112.8 | -178.5 | -36.7 | 0 | 0 | 0 | 0 | 110.3 | P21 A25 | P21-S23 PolarHBondContact O-N 3.47Å; S23-A25 PolarHBondContact O-N 2.87Å |
| 24 | R | 49 | Very low | 50.1 | Low | 206 Ų | 206 | 128.3 Ų | 128.3 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | -73.7 | 99.1 | 167.3 | -136.7 | 176.1 | -142.6 | -113.5 | 1.6 | 107.1 | P22 Y26 | P22-R24 PolarHBondContact O-N 2.85Å; P22-R24 VanDerWaalsContact O-N 3.1Å; R24-Y26 HydrophobicContact CB-CE2 4.36Å; R24-Y26 PolarHBondContact O-N 3.33Å |
| 25 | A | 51.4 | Low | 49.1 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -61.3 | 106.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S23 | S23-A25 PolarHBondContact O-N 2.87Š|
| 26 | Y | 42.3 | Very low | 48.7 | Very low | 186 Ų | 186 | 129 Ų | 129 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | | | trans | -89.2 | 125.1 | 158.2 | -71.5 | -75.3 | 0 | 0 | 0 | 107.8 | R24 | R24-Y26 HydrophobicContact CB-CE2 4.36Å; R24-Y26 PolarHBondContact O-N 3.33Å |
| 27 | A | 41.1 | Very low | 48.5 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -54.6 | 138.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.6 | G29 | A27-G29 PolarHBondContact O-N 3.29Š|
| 28 | H | 47.3 | Very low | 48.8 | Very low | 199 Ų | 199 | 122.4 Ų | 122.4 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | -44 | 127 | 171.7 | -55.7 | -86.9 | 0 | 0 | 0 | 112.6 | | |
| 29 | G | 39 | Very low | 48.9 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | | | trans | -147.4 | 70.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A27 | A27-G29 PolarHBondContact O-N 3.29Š|
| 30 | G | 41.8 | Very low | 49.1 | Very low | 77 Ų | 77 | 120.9 Ų | 120.9 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 88.1 | 128.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 31 | A | 36.8 | Very low | 49.2 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | | | trans | 80.2 | 94.1 | 166 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 32 | S | 46.9 | Very low | 49.2 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | -55 | 131 | 153.6 | -115.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 33 | D | 54.9 | Low | 49.7 | Very low | 128 Ų | 128 | 118 Ų | 118 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | | | trans | 52.5 | 102.2 | 133.3 | -46.5 | -44.3 | 0 | 0 | 0 | 117.5 | | |
| 34 | T | 48.8 | Very low | 50.3 | Low | 143 Ų | 143 | 116.2 Ų | 116.2 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | | | | 167 | 149.2 | 101.9 | 36.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 35 | S | 42.3 | Very low | 51.3 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | 79.2 | 81.7 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 117 | S37 | S35-S37 PolarHBondContact O-N 3.3Š|
| 36 | N | 48.6 | Very low | 52.2 | Low | 145 Ų | 145 | 115.8 Ų | 115.8 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | | | | 45.6 | 79.3 | 125 | -165.5 | 36.2 | 0 | 0 | 0 | 114.4 | G38 | N36-G38 PolarHBondContact O-N 2.82Š|
| 37 | S | 48.5 | Very low | 53.1 | Low | 124 Ų | 124 | 112.5 Ų | 112.5 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | | | trans | -66.6 | 60.1 | 161 | 65.6 | 0 | 0 | 0 | 0 | 109.9 | S35 | S35-S37 PolarHBondContact O-N 3.3Š|
| 38 | G | 55.7 | Low | 53.9 | Low | 34 Ų | 34 | 114 Ų | 114 | 35% | 0.351 | 72% | 0.719 | S | S | . | * | | | trans | -71.8 | 126.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | N36 | N36-G38 PolarHBondContact O-N 2.82Š|
| 39 | N | 56.4 | Low | 54.7 | Low | 132 Ų | 132 | 110.6 Ų | 110.6 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 95.5 | 12.5 | 154.8 | -41.2 | -31.6 | 0 | 0 | 0 | 118.5 | | |
| 40 | A | 59 | Low | 55.7 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 88% | 0.884 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -90.6 | 12.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 41 | G | 59.3 | Low | 56.7 | Low | 17 Ų | 17 | 112.1 Ų | 112.1 | 18% | 0.175 | 70% | 0.702 | C | S | . | * | S | Bend | trans | -172.1 | 17.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | R46 | G41-R46 VanDerWaalsContact C-NH2 3.35Å; G41-R46 VanDerWaalsContact O-CZ 3.22Å; G41-R46 PolarHBondContact O-NE 3.38Å; G41-R46 PolarHBondContact O-NH2 3.26Å |
| 42 | I | 59.8 | Low | 58.2 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -86.8 | -13.8 | 175.7 | 66.5 | 173.4 | 0 | 0 | 0 | 112.7 | | |
| 43 | L | 62.2 | Low | 59.5 | Low | 154 Ų | 154 | 118 Ų | 118 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -105.1 | 1.9 | -174.2 | -59 | -178.2 | 0 | 0 | 0 | 113.6 | | |
| 44 | S | 64.5 | Low | 60.6 | Low | 80 Ų | 80 | 118.1 Ų | 118.1 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -121.1 | 127.7 | 178.5 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | R46 | S44-R46 PolarHBondContact O-N 3.01Š|
| 45 | P | 71.6 | Confident | 61.9 | Low | 102 Ų | 102 | 119.2 Ų | 119.2 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | | | trans | -53.9 | 114.2 | 170.6 | -22.5 | 32.6 | 0 | 0 | 0 | 108.3 | D47 | P45-D47 PolarHBondContact O-N 2.94Š|
| 46 | R | 69.7 | Low | 63.2 | Low | 190 Ų | 190 | 121.1 Ų | 121.1 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -71.3 | -14.9 | -174.6 | -71.4 | 178.7 | 178 | 171.4 | -6.6 | 112.6 | G41 S44 | G41-R46 VanDerWaalsContact C-NH2 3.35Å; G41-R46 VanDerWaalsContact O-CZ 3.22Å; G41-R46 PolarHBondContact O-NE 3.38Å; G41-R46 PolarHBondContact O-NH2 3.26Å; S44-R46 PolarHBondContact O-N 3.01Å |
| 47 | D | 61.6 | Low | 64.4 | Low | 117 Ų | 117 | 118.2 Ų | 118.2 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -128.8 | 113.3 | -177.8 | -40.6 | -19.6 | 0 | 0 | 0 | 106.5 | P45 T49 | P45-D47 PolarHBondContact O-N 2.94Å; D47-T49 PolarHBondContact O-N 2.91Å |
| 48 | S | 57.8 | Low | 64.7 | Low | 129 Ų | 129 | 119 Ų | 119 | 90% | 0.902 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -70.5 | 29.2 | -178.8 | -50 | 0 | 0 | 0 | 0 | 114 | | |
| 49 | T | 63 | Low | 64.7 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | | | trans | -114.7 | 34.3 | -170.7 | -27.2 | 0 | 0 | 0 | 0 | 113.4 | D47 | D47-T49 PolarHBondContact O-N 2.91Š|
| 50 | C | 59.7 | Low | 64.7 | Low | 102 Ų | 102 | 116 Ų | 116 | 69% | 0.689 | 66% | 0.661 | S | S | * | * | | | trans | -139.7 | 35.7 | -174.6 | 66.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 51 | A | 63.7 | Low | 64.7 | Low | 86 Ų | 86 | 111.5 Ų | 111.5 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | | | trans | -122.3 | 77.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V53 | A51-V53 PolarHBondContact O-N 3.22Š|
| 52 | K | 68.6 | Low | 64.5 | Low | 197 Ų | 197 | 115.6 Ų | 115.6 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | | | trans | -72.5 | 85.1 | 160.9 | -69.5 | -177.4 | -178.9 | 177.1 | 0 | 106.4 | V54 | K52-V54 PolarHBondContact O-N 2.78Š|
| 53 | V | 74.7 | Confident | 64.6 | Low | 134 Ų | 134 | 115.1 Ų | 115.1 | 81% | 0.812 | 65% | 0.65 | S | S | * | * | | | trans | -64.4 | 107.9 | 169.1 | -67.8 | 0 | 0 | 0 | 0 | 106.5 | A51 E55 | A51-V53 PolarHBondContact O-N 3.22Å; V53-E55 PolarHBondContact O-N 2.87Å |
| 54 | V | 76.1 | Confident | 64.8 | Low | 131 Ų | 131 | 109.2 Ų | 109.2 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | | | trans | -78.2 | 119.8 | 170 | 178.1 | 0 | 0 | 0 | 0 | 105.4 | K52 Y56 | K52-V54 PolarHBondContact O-N 2.78Å; V54-Y56 PolarHBondContact O-N 3.04Å; V54-Y56 VanDerWaalsContact O-N 3.12Å |
| 55 | E | 77.6 | Confident | 64.8 | Low | 166 Ų | 166 | 114.4 Ų | 114.4 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | | | trans | -60.8 | 117.2 | 174.8 | -176.4 | 179 | 171.1 | 0 | 0 | 108.8 | V53 V57 | V53-E55 PolarHBondContact O-N 2.87Å; E55-V57 HydrophobicContact CG-CG2 4.43Å; E55-V57 PolarHBondContact O-N 3.02Å |
| 56 | Y | 69.3 | Low | 64.5 | Low | 151 Ų | 151 | 116.8 Ų | 116.8 | 59% | 0.592 | 64% | 0.639 | S | S | * | * | | | trans | -86.5 | 94.9 | 171.6 | -157.6 | -97.6 | 0 | 0 | 0 | 107.7 | V54 F58 P62 | V54-Y56 PolarHBondContact O-N 3.04Å; V54-Y56 VanDerWaalsContact O-N 3.12Å; Y56-F58 PolarHBondContact O-N 3.12Å; Y56-P62 VanDerWaalsContact OH-CD 3.23Å; Y56-P62 WeakPolarHBondContact OH-CD 3.27Å |
| 57 | V | 72.4 | Confident | 64.3 | Low | 84 Ų | 84 | 108.1 Ų | 108.1 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | | | trans | -63.6 | 114.2 | 172.6 | -170.9 | 0 | 0 | 0 | 0 | 107 | E55 S59 G60 | E55-V57 HydrophobicContact CG-CG2 4.43Å; E55-V57 PolarHBondContact O-N 3.02Å; V57-S59 WeakPolarHBondContact CG1-OG 3.39Å; V57-S59 PolarHBondContact O-N 3.49Å; V57-G60 PolarHBondContact O-N 3.13Å |
| 58 | F | 56.4 | Low | 64.4 | Low | 141 Ų | 141 | 108.1 Ų | 108.1 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -56.9 | -16.8 | -175.4 | -162.6 | -103.3 | 0 | 0 | 0 | 112.9 | Y56 G60 S61 N64 | Y56-F58 PolarHBondContact O-N 3.12Å; F58-G60 PolarHBondContact O-N 3.14Å; F58-S61 WeakPolarHBondContact O-CB 3.16Å; F58-S61 PolarHBondContact O-N 2.82Å; F58-N64 WeakPolarHBondContact O-CB 3.34Å; F58-N64 PolarHBondContact O-ND2 3.3Å |
| 59 | S | 56 | Low | 64.6 | Low | 71 Ų | 71 | 106 Ų | 106 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -59.4 | -22.4 | 171 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | V57 N64 S67 | V57-S59 WeakPolarHBondContact CG1-OG 3.39Å; V57-S59 PolarHBondContact O-N 3.49Å; S59-N64 VanDerWaalsContact CA-ND2 3.28Å; S59-N64 WeakPolarHBondContact CA-ND2 3.14Å; S59-S67 WeakPolarHBondContact O-CA 3.39Å; S59-S67 WeakPolarHBondContact O-CB 3.38Å; S59-S67 PolarHBondContact O-OG 2.99Å |
| 60 | G | 55.8 | Low | 64.7 | Low | 30 Ų | 30 | 102 Ų | 102 | 31% | 0.309 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -102.3 | 0.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V57 F58 | V57-G60 PolarHBondContact O-N 3.13Å; F58-G60 PolarHBondContact O-N 3.14Å |
| 61 | S | 57.8 | Low | 65.1 | Low | 13 Ų | 13 | 100.1 Ų | 100.1 | 9% | 0.091 | 57% | 0.57 | C | S | . | * | | | trans | -58.2 | 136 | 179.1 | -176 | 0 | 0 | 0 | 0 | 110.4 | F58 T63 N64 | F58-S61 WeakPolarHBondContact O-CB 3.16Å; F58-S61 PolarHBondContact O-N 2.82Å; S61-T63 PolarHBondContact O-N 3.44Å; S61-T63 PolarHBondContact OG-N 3.29Å; S61-T63 PolarHBondContact OG-OG1 2.95Å; S61-N64 WeakPolarHBondContact O-CB 3.5Å; S61-N64 PolarHBondContact O-N 2.77Å |
| 62 | P | 55.9 | Low | 65.3 | Low | 103 Ų | 103 | 100 Ų | 100 | 67% | 0.669 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -21.5 | 168.4 | -25.9 | 32.9 | 0 | 0 | 0 | 113 | Y56 | Y56-P62 VanDerWaalsContact OH-CD 3.23Å; Y56-P62 WeakPolarHBondContact OH-CD 3.27Å |
| 63 | T | 62.9 | Low | 65.4 | Low | 110 Ų | 110 | 94.5 Ų | 94.5 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.2 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | S61 | S61-T63 PolarHBondContact O-N 3.44Å; S61-T63 PolarHBondContact OG-N 3.29Å; S61-T63 PolarHBondContact OG-OG1 2.95Å |
| 64 | N | 64.8 | Low | 65.2 | Low | 29 Ų | 29 | 91.3 Ų | 91.3 | 16% | 0.155 | 52% | 0.516 | C | S | . | . | | | trans | -85 | 127.6 | -179.6 | -170.1 | -27.5 | 0 | 0 | 0 | 111.2 | F58 S59 S61 D66 S67 S70 | F58-N64 WeakPolarHBondContact O-CB 3.34Å; F58-N64 PolarHBondContact O-ND2 3.3Å; S59-N64 VanDerWaalsContact CA-ND2 3.28Å; S59-N64 WeakPolarHBondContact CA-ND2 3.14Å; S61-N64 WeakPolarHBondContact O-CB 3.5Å; S61-N64 PolarHBondContact O-N 2.77Å; N64-D66 VanDerWaalsContact C-N 3.34Å; N64-D66 PolarHBondContact OD1-N 3.24Å; N64-S67 WeakPolarHBondContact O-CB 3.29Å; N64-S67 PolarHBondContact O-N 3.12Å; N64-S70 PolarHBondContact O-OG 2.85Å; N64-S70 VanDerWaalsContact O-OG 3.12Å |
| 65 | K | 65.8 | Low | 64.8 | Low | 189 Ų | 189 | 91.1 Ų | 91.1 | 82% | 0.822 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.7 | -177.9 | -62.1 | -176.4 | -179.3 | -180 | 0 | 114.2 | S70 | K65-S70 PolarHBondContact O-OG 3.22Š|
| 66 | D | 65.8 | Low | 64.5 | Low | 152 Ų | 152 | 88 Ų | 88 | 81% | 0.813 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 11.9 | 177.8 | -56.6 | -57.4 | 0 | 0 | 0 | 112.1 | N64 | N64-D66 VanDerWaalsContact C-N 3.34Å; N64-D66 PolarHBondContact OD1-N 3.24Å |
| 67 | S | 64.9 | Low | 64.5 | Low | 8 Ų | 8 | 88.9 Ų | 88.9 | 6% | 0.056 | 50% | 0.497 | C | S | . | . | | | trans | -69.2 | 143.1 | -179.5 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | S59 N64 L69 S70 | S59-S67 WeakPolarHBondContact O-CA 3.39Å; S59-S67 WeakPolarHBondContact O-CB 3.38Å; S59-S67 PolarHBondContact O-OG 2.99Å; N64-S67 WeakPolarHBondContact O-CB 3.29Å; N64-S67 PolarHBondContact O-N 3.12Å; S67-L69 PolarHBondContact O-N 3.25Å; S67-L69 PolarHBondContact OG-N 2.95Å; S67-S70 PolarHBondContact N-OG 3.03Å; S67-S70 WeakPolarHBondContact O-CB 3.29Å; S67-S70 PolarHBondContact O-N 3.09Å; S67-S70 PolarHBondContact O-OG 3.14Å |
| 68 | S | 63.3 | Low | 64.4 | Low | 117 Ų | 117 | 90.9 Ų | 90.9 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19 | 168.7 | 59 | 0 | 0 | 0 | 0 | 113.1 | | |
| 69 | L | 62.3 | Low | 65.1 | Low | 86 Ų | 86 | 88.6 Ų | 88.6 | 45% | 0.45 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.8 | 175.2 | -55.2 | 175.8 | 0 | 0 | 0 | 113.1 | S67 G71 L72 | S67-L69 PolarHBondContact O-N 3.25Å; S67-L69 PolarHBondContact OG-N 2.95Å; L69-G71 PolarHBondContact O-N 2.99Å; L69-L72 HydrophobicContact CB-CD1 4.4Å; L69-L72 HydrophobicContact CD2-CD1 3.78Å; L69-L72 WeakPolarHBondContact O-CA 3.47Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.28Å; L69-L72 PolarHBondContact O-N 3.04Å |
| 70 | S | 65.3 | Low | 65.9 | Low | 42 Ų | 42 | 93.1 Ų | 93.1 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -63.4 | -23.5 | 179.4 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | N64 K65 S67 L72 E73 | N64-S70 PolarHBondContact O-OG 2.85Å; N64-S70 VanDerWaalsContact O-OG 3.12Å; K65-S70 PolarHBondContact O-OG 3.22Å; S67-S70 PolarHBondContact N-OG 3.03Å; S67-S70 WeakPolarHBondContact O-CB 3.29Å; S67-S70 PolarHBondContact O-N 3.09Å; S67-S70 PolarHBondContact O-OG 3.14Å; S70-L72 PolarHBondContact O-N 3.47Å; S70-E73 PolarHBondContact O-N 2.7Å |
| 71 | G | 68.1 | Low | 66.3 | Low | 63 Ų | 63 | 99.9 Ų | 99.9 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -69.1 | -13.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L69 | L69-G71 PolarHBondContact O-N 2.99Š|
| 72 | L | 68.2 | Low | 66.7 | Low | 83 Ų | 83 | 104.4 Ų | 104.4 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -93.9 | -10.9 | 179.9 | -58.1 | 171.4 | 0 | 0 | 0 | 113 | L69 S70 H75 L76 | L69-L72 HydrophobicContact CB-CD1 4.4Å; L69-L72 HydrophobicContact CD2-CD1 3.78Å; L69-L72 WeakPolarHBondContact O-CA 3.47Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.28Å; L69-L72 PolarHBondContact O-N 3.04Å; S70-L72 PolarHBondContact O-N 3.47Å; L72-H75 CarbonylContact O-C 3.58Å; L72-H75 WeakPolarHBondContact O-CA 3.49Å; L72-H75 WeakPolarHBondContact O-CB 3.18Å; L72-H75 PolarHBondContact O-N 2.86Å; L72-L76 HydrophobicContact CB-CD1 4.39Å; L72-L76 HydrophobicContact CB-CG 4.43Å; L72-L76 WeakPolarHBondContact O-CG 3.35Å; L72-L76 PolarHBondContact O-N 3.48Å |
| 73 | E | 70 | Confident | 66.9 | Low | 82 Ų | 82 | 107 Ų | 107 | 38% | 0.383 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -44.1 | -52 | 173.4 | -95.9 | -69.9 | 128.6 | 0 | 0 | 114.1 | S70 H75 L76 R77 | S70-E73 PolarHBondContact O-N 2.7Å; E73-H75 PolarHBondContact O-N 2.98Å; E73-L76 PolarHBondContact O-N 2.8Å; E73-R77 WeakPolarHBondContact O-CB 3.42Å; E73-R77 VanDerWaalsContact O-CG 3.29Å; E73-R77 WeakPolarHBondContact O-CG 3.39Å; E73-R77 PolarHBondContact O-N 2.93Å; E73-R77 IonicContact OE2-CZ 3.57Å; E73-R77 IonicContact OE2-NE 3.79Å; E73-R77 IonicContact OE2-NH1 2.82Å; E73-R77 PolarHBondContact OE2-NH1 2.82Å |
| 74 | P | 71.2 | Confident | 66.5 | Low | 67 Ų | 67 | 107.9 Ų | 107.9 | 44% | 0.435 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -27.7 | 177.1 | 25 | -33.8 | 0 | 0 | 0 | 112.8 | N78 | P74-N78 VanDerWaalsContact O-CB 3.29Å; P74-N78 WeakPolarHBondContact O-CB 3.37Å; P74-N78 PolarHBondContact O-N 2.81Å; P74-N78 PolarHBondContact O-OD1 3.15Å |
| 75 | H | 67.7 | Low | 66.2 | Low | 127 Ų | 127 | 111.8 Ų | 111.8 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -77 | -40.8 | 178 | -165.3 | 65.6 | 0 | 0 | 0 | 111.9 | L72 E73 N78 L79 | L72-H75 CarbonylContact O-C 3.58Å; L72-H75 WeakPolarHBondContact O-CA 3.49Å; L72-H75 WeakPolarHBondContact O-CB 3.18Å; L72-H75 PolarHBondContact O-N 2.86Å; E73-H75 PolarHBondContact O-N 2.98Å; H75-N78 PolarHBondContact O-N 3.39Å; H75-L79 PolarHBondContact O-N 3.16Å; H75-L79 VanDerWaalsContact O-N 3.14Å |
| 76 | L | 71.4 | Confident | 65.9 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.2 | -39.7 | 178.2 | -63.9 | 172.8 | 0 | 0 | 0 | 112 | L72 E73 N78 L79 | L72-L76 HydrophobicContact CB-CD1 4.39Å; L72-L76 HydrophobicContact CB-CG 4.43Å; L72-L76 WeakPolarHBondContact O-CG 3.35Å; L72-L76 PolarHBondContact O-N 3.48Å; E73-L76 PolarHBondContact O-N 2.8Å; L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 3.33Å; L76-L79 WeakPolarHBondContact O-CB 3.23Å; L76-L79 PolarHBondContact O-N 2.87Å; L76-L79 VanDerWaalsContact O-N 3.13Å |
| 77 | R | 68.9 | Low | 65.6 | Low | 168 Ų | 168 | 107 Ų | 107 | 63% | 0.634 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.3 | -24 | 174.8 | -65.5 | -171.3 | -53.9 | -139.7 | 12.4 | 113.3 | E73 L79 | E73-R77 WeakPolarHBondContact O-CB 3.42Å; E73-R77 VanDerWaalsContact O-CG 3.29Å; E73-R77 WeakPolarHBondContact O-CG 3.39Å; E73-R77 PolarHBondContact O-N 2.93Å; E73-R77 IonicContact OE2-CZ 3.57Å; E73-R77 IonicContact OE2-NE 3.79Å; E73-R77 IonicContact OE2-NH1 2.82Å; E73-R77 PolarHBondContact OE2-NH1 2.82Å; R77-L79 VanDerWaalsContact C-N 3.28Å |
| 78 | N | 69.7 | Low | 65.4 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 67% | 0.674 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.3 | -11.5 | 173.3 | -72.5 | 28.8 | 0 | 0 | 0 | 112.2 | P74 H75 L76 K80 | P74-N78 VanDerWaalsContact O-CB 3.29Å; P74-N78 WeakPolarHBondContact O-CB 3.37Å; P74-N78 PolarHBondContact O-N 2.81Å; P74-N78 PolarHBondContact O-OD1 3.15Å; H75-N78 PolarHBondContact O-N 3.39Å; L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 3.33Å; N78-K80 PolarHBondContact O-N 3.27Å |
| 79 | L | 72.4 | Confident | 65.1 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | | | trans | -74.6 | 79.9 | 166.7 | -135.6 | 84.6 | 0 | 0 | 0 | 108.2 | H75 L76 R77 F81 | H75-L79 PolarHBondContact O-N 3.16Å; H75-L79 VanDerWaalsContact O-N 3.14Å; L76-L79 WeakPolarHBondContact O-CB 3.23Å; L76-L79 PolarHBondContact O-N 2.87Å; L76-L79 VanDerWaalsContact O-N 3.13Å; R77-L79 VanDerWaalsContact C-N 3.28Å; L79-F81 HydrophobicContact CD2-CE2 4.05Å; L79-F81 HydrophobicContact CD2-CZ 3.78Å; L79-F81 PolarHBondContact O-N 2.97Å |
| 80 | K | 71.8 | Confident | 64.8 | Low | 167 Ų | 167 | 121.9 Ų | 121.9 | 73% | 0.726 | 62% | 0.62 | S | S | * | * | | | trans | -74.7 | 107.9 | 167.4 | -73.3 | 165.1 | 173.1 | 176.9 | 0 | 107 | N78 D82 | N78-K80 PolarHBondContact O-N 3.27Å; K80-D82 PolarHBondContact O-N 3.45Å; K80-D82 VanDerWaalsContact O-N 3.09Å |
| 81 | F | 64.7 | Low | 64.6 | Low | 171 Ų | 171 | 128.5 Ų | 128.5 | 75% | 0.75 | 64% | 0.643 | S | S | * | * | | | trans | -69.4 | 97.8 | 152.3 | -61.9 | -79.5 | 0 | 0 | 0 | 104.6 | L79 D83 | L79-F81 HydrophobicContact CD2-CE2 4.05Å; L79-F81 HydrophobicContact CD2-CZ 3.78Å; L79-F81 PolarHBondContact O-N 2.97Å; F81-D83 PolarHBondContact O-N 2.72Å |
| 82 | D | 65.4 | Low | 64.1 | Low | 109 Ų | 109 | 133.8 Ų | 133.8 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | | | trans | -60.5 | 114.1 | 170.8 | -75.4 | -37 | 0 | 0 | 0 | 106.3 | K80 N84 D85 | K80-D82 PolarHBondContact O-N 3.45Å; K80-D82 VanDerWaalsContact O-N 3.09Å; D82-N84 PolarHBondContact O-N 3.4Å; D82-D85 WeakPolarHBondContact O-CB 3.44Å; D82-D85 PolarHBondContact O-N 2.97Å |
| 83 | D | 60.1 | Low | 63.7 | Low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -8.9 | 167.4 | -75.8 | -33.3 | 0 | 0 | 0 | 111.8 | F81 | F81-D83 PolarHBondContact O-N 2.72Š|
| 84 | N | 55.7 | Low | 63.2 | Low | 127 Ų | 127 | 137 Ų | 137 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 6.8 | 173.4 | -147.3 | 15.6 | 0 | 0 | 0 | 114.1 | D82 K86 | D82-N84 PolarHBondContact O-N 3.4Å; N84-K86 PolarHBondContact O-N 3.04Å |
| 85 | D | 57.8 | Low | 62.6 | Low | 112 Ų | 112 | 140.5 Ų | 140.5 | 60% | 0.599 | 69% | 0.686 | S | S | * | * | | | trans | -72.4 | 57.9 | 159.9 | -165.5 | 12.1 | 0 | 0 | 0 | 110 | D82 S87 | D82-D85 WeakPolarHBondContact O-CB 3.44Å; D82-D85 PolarHBondContact O-N 2.97Å; D85-S87 PolarHBondContact O-N 2.8Å; D85-S87 PolarHBondContact OD1-N 2.74Å; D85-S87 PolarHBondContact OD1-OG 2.84Å |
| 86 | K | 58.3 | Low | 62.5 | Low | 145 Ų | 145 | 136.1 Ų | 136.1 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | | | trans | -79.8 | 15.8 | 164.2 | -58.5 | -163.1 | -170 | 70.5 | 0 | 110.9 | N84 R88 | N84-K86 PolarHBondContact O-N 3.04Å; K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 3.1Å |
| 87 | S | 59.7 | Low | 62.3 | Low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 4.5 | -174 | 79.4 | 0 | 0 | 0 | 0 | 114.1 | D85 | D85-S87 PolarHBondContact O-N 2.8Å; D85-S87 PolarHBondContact OD1-N 2.74Å; D85-S87 PolarHBondContact OD1-OG 2.84Å |
| 88 | R | 60.4 | Low | 62 | Low | 233 Ų | 233 | 136.7 Ų | 136.7 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | 32.5 | 166.2 | -71.8 | -165.2 | 177.8 | 167.9 | 1 | 114.9 | K86 | K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 3.1Å |
| 89 | D | 57.3 | Low | 61.7 | Low | 150 Ų | 150 | 135.2 Ų | 135.2 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | | | trans | -102.1 | 27.9 | 162.7 | -111 | -7.3 | 0 | 0 | 0 | 111.5 | K91 | D89-K91 PolarHBondContact O-N 3.23Å; D89-K91 VanDerWaalsContact O-N 3.16Å |
| 90 | D | 57.2 | Low | 61.3 | Low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -83.2 | 87.1 | 166 | -163.1 | 20.9 | 0 | 0 | 0 | 109.7 | E92 | D90-E92 VanDerWaalsContact C-N 3.31Å; D90-E92 PolarHBondContact O-N 3.04Å |
| 91 | K | 59.6 | Low | 60.6 | Low | 180 Ų | 180 | 135.6 Ų | 135.6 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | | | trans | 54.5 | 25.6 | 140.3 | -72.5 | -92 | -170.8 | 165.9 | 0 | 118.9 | D89 K93 | D89-K91 PolarHBondContact O-N 3.23Å; D89-K91 VanDerWaalsContact O-N 3.16Å; K91-K93 PolarHBondContact O-N 3.05Å |
| 92 | E | 59.3 | Low | 60.5 | Low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | | | trans | -76.5 | 76.4 | 154.4 | -120.8 | -172.1 | 179.5 | 0 | 0 | 108.6 | D90 A94 | D90-E92 VanDerWaalsContact C-N 3.31Å; D90-E92 PolarHBondContact O-N 3.04Å; E92-A94 HydrophobicContact CB-CB 4.14Å; E92-A94 HydrophobicContact CG-CB 3.86Å; E92-A94 PolarHBondContact O-N 2.95Å |
| 93 | K | 59.9 | Low | 59.8 | Low | 175 Ų | 175 | 133 Ų | 133 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | | | trans | -55.6 | 60.7 | 131 | -85.1 | -86.1 | -173.9 | -179.2 | 0 | 107 | K91 N95 | K91-K93 PolarHBondContact O-N 3.05Å; K93-N95 PolarHBondContact O-N 3.32Å |
| 94 | A | 58.5 | Low | 60.1 | Low | 57 Ų | 57 | 135 Ų | 135 | 47% | 0.471 | 70% | 0.702 | S | S | . | * | | | trans | -57.5 | 112.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 102.8 | E92 S96 | E92-A94 HydrophobicContact CB-CB 4.14Å; E92-A94 HydrophobicContact CG-CB 3.86Å; E92-A94 PolarHBondContact O-N 2.95Å; A94-S96 VanDerWaalsContact C-N 3.29Å; A94-S96 PolarHBondContact O-N 2.89Å |
| 95 | N | 59.5 | Low | 60 | Low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | | | trans | -43.5 | 93.4 | -175.9 | -162.4 | 38.6 | 0 | 0 | 0 | 108.8 | K93 P97 | K93-N95 PolarHBondContact O-N 3.32Å; N95-P97 WeakPolarHBondContact O-CD 3.26Å |
| 96 | S | 64.1 | Low | 59.5 | Low | 35 Ų | 35 | 138.3 Ų | 138.3 | 25% | 0.245 | 71% | 0.712 | C | S | . | * | | | trans | -63.1 | 127 | -179.2 | 144.8 | 0 | 0 | 0 | 0 | 105.5 | A94 F98 D99 | A94-S96 VanDerWaalsContact C-N 3.29Å; A94-S96 PolarHBondContact O-N 2.89Å; S96-F98 PolarHBondContact O-N 2.79Å; S96-F98 PolarHBondContact OG-N 3.47Å; S96-D99 VanDerWaalsContact CB-OD1 3.26Å; S96-D99 WeakPolarHBondContact CB-OD1 3.49Å; S96-D99 WeakPolarHBondContact CB-OD2 3.48Å; S96-D99 PolarHBondContact O-N 3.42Å; S96-D99 VanDerWaalsContact OG-CG 3.28Å; S96-D99 PolarHBondContact OG-N 3.18Å; S96-D99 PolarHBondContact OG-OD1 3.17Å |
| 97 | P | 67.8 | Low | 59 | Low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -3.3 | -178.8 | 24.9 | -32.8 | 0 | 0 | 0 | 112.9 | N95 | N95-P97 WeakPolarHBondContact O-CD 3.26Š|
| 98 | F | 63.2 | Low | 58.2 | Low | 170 Ų | 170 | 143.6 Ų | 143.6 | 75% | 0.746 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -3.5 | 176.5 | -55.2 | -74.8 | 0 | 0 | 0 | 113.7 | S96 | S96-F98 PolarHBondContact O-N 2.79Å; S96-F98 PolarHBondContact OG-N 3.47Å |
| 99 | D | 63.8 | Low | 57.5 | Low | 96 Ų | 96 | 138.7 Ų | 138.7 | 51% | 0.513 | 73% | 0.729 | S | S | . | * | | | trans | -83.5 | -9.8 | -173.3 | -81 | 14.9 | 0 | 0 | 0 | 113.8 | S96 N101 | S96-D99 VanDerWaalsContact CB-OD1 3.26Å; S96-D99 WeakPolarHBondContact CB-OD1 3.49Å; S96-D99 WeakPolarHBondContact CB-OD2 3.48Å; S96-D99 PolarHBondContact O-N 3.42Å; S96-D99 VanDerWaalsContact OG-CG 3.28Å; S96-D99 PolarHBondContact OG-N 3.18Å; S96-D99 PolarHBondContact OG-OD1 3.17Å; D99-N101 PolarHBondContact O-N 3.41Å |
| 100 | T | 63.7 | Low | 56.7 | Low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | | | trans | -88.6 | 74.5 | 172.7 | 58.9 | 0 | 0 | 0 | 0 | 110.9 | G102 | T100-G102 PolarHBondContact O-N 2.73Å; T100-G102 VanDerWaalsContact O-N 3.17Å |
| 101 | N | 55.7 | Low | 55.8 | Low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | | | trans | -79.8 | 94 | 159.7 | -83 | -28 | 0 | 0 | 0 | 108.5 | D99 L103 | D99-N101 PolarHBondContact O-N 3.41Å; N101-L103 PolarHBondContact O-N 3.23Å |
| 102 | G | 63.7 | Low | 55 | Low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | | | trans | -68 | 107.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T100 | T100-G102 PolarHBondContact O-N 2.73Å; T100-G102 VanDerWaalsContact O-N 3.17Å |
| 103 | L | 49.7 | Very low | 54.3 | Low | 156 Ų | 156 | 132.8 Ų | 132.8 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | | | trans | -141.2 | 83.5 | 157.5 | -143.4 | 75.4 | 0 | 0 | 0 | 110.7 | N101 K105 | N101-L103 PolarHBondContact O-N 3.23Å; L103-K105 PolarHBondContact O-N 3.4Å |
| 104 | K | 67.8 | Low | 53.5 | Low | 199 Ų | 199 | 127.7 Ų | 127.7 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | | | trans | -40 | 120.1 | 155.2 | 47.4 | -166.3 | 170.2 | -171.1 | 0 | 112.1 | | |
| 105 | K | 53.3 | Low | 53 | Low | 174 Ų | 174 | 131.6 Ų | 131.6 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | | | trans | -165.4 | 136 | 151.4 | -69.7 | -162.5 | -176.5 | 176.6 | 0 | 106.5 | L103 | L103-K105 PolarHBondContact O-N 3.4Š|
| 106 | D | 46.5 | Very low | 52.6 | Low | 135 Ų | 135 | 130.7 Ų | 130.7 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | cis | -166.2 | 153.8 | -11.8 | -85.4 | -45.7 | 0 | 0 | 0 | 103.1 | | |
| 107 | D | 49 | Very low | 52.2 | Low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | 41.7 | 109.7 | 154.9 | -81.2 | -20.9 | 0 | 0 | 0 | 120.6 | | |
| 108 | Q | 43 | Very low | 51.4 | Low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | | | | -177.9 | 90.4 | 94.2 | -166.3 | 171.9 | 78.4 | 0 | 0 | 108.9 | | |
| 109 | V | 44.9 | Very low | 51 | Low | 130 Ų | 130 | 133.6 Ų | 133.6 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | trans | -84.1 | 124.9 | 155.5 | -170.5 | 0 | 0 | 0 | 0 | 105.3 | | |
| 110 | T | 39.9 | Very low | 50.7 | Low | 101 Ų | 101 | 135.8 Ų | 135.8 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | | 154.7 | 140.2 | 120 | 43.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 111 | N | 39.7 | Very low | 50.8 | Low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | 80 | 128.3 | 142.5 | -67.5 | -18.2 | 0 | 0 | 0 | 116.9 | | |
| 112 | S | 42.3 | Very low | 51.2 | Low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | cis | -166.5 | 148.5 | 14.9 | -72.3 | 0 | 0 | 0 | 0 | 111 | | |
| 113 | N | 45.5 | Very low | 51.1 | Low | 173 Ų | 173 | 141.8 Ų | 141.8 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | -48.8 | 140 | 161.2 | -64.9 | -43.6 | 0 | 0 | 0 | 112.7 | | |
| 114 | G | 41.7 | Very low | 51.4 | Low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -176 | 90.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 115 | V | 47.7 | Very low | 50.4 | Low | 138 Ų | 138 | 141.8 Ų | 141.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | 41.1 | 119.8 | 139 | -176.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 116 | V | 52.4 | Low | 50.3 | Low | 123 Ų | 123 | 140.2 Ų | 140.2 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | | -172.9 | 97.7 | 121.8 | 143.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 117 | N | 54.9 | Low | 50.5 | Low | 172 Ų | 172 | 140.5 Ų | 140.5 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | | | trans | -78.2 | 107.1 | 146 | -77.8 | 74.4 | 0 | 0 | 0 | 105.7 | | |
| 118 | G | 50.7 | Low | 50.5 | Low | 47 Ų | 47 | 139.4 Ų | 139.4 | 49% | 0.485 | 79% | 0.789 | S | S | . | * | | | trans | -154.9 | 104.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 119 | I | 55.2 | Low | 51 | Low | 158 Ų | 158 | 136.4 Ų | 136.4 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | | 71.4 | 132.7 | 85 | -63.8 | 156.3 | 0 | 0 | 0 | 110.1 | | |
| 120 | D | 57.3 | Low | 51.4 | Low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | 76.4 | 98 | -179.6 | -86 | 9.7 | 0 | 0 | 0 | 114.3 | | |
| 121 | D | 66.6 | Low | 52.1 | Low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | cis | 42.6 | 120.9 | 43.5 | -108.6 | 0.1 | 0 | 0 | 0 | 112.9 | | |
| 122 | D | 64.6 | Low | 53 | Low | 125 Ų | 125 | 139.1 Ų | 139.1 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | | | trans | 64.1 | 100.1 | 174.7 | -68.7 | -19.2 | 0 | 0 | 0 | 118.2 | | |
| 123 | K | 61.5 | Low | 53.8 | Low | 194 Ų | 194 | 141.6 Ų | 141.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | | 178.4 | 132.9 | 118.1 | -65.4 | -32.7 | 154.8 | -157.1 | 0 | 106 | | |
| 124 | G | 55.5 | Low | 54.5 | Low | 62 Ų | 62 | 139 Ų | 139 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | cis | 136.6 | 119.3 | 24.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 125 | F | 46.4 | Very low | 55.7 | Low | 293 Ų | 293 | 145.4 Ų | 145.4 | 100% | 1.285 | 80% | 0.797 | S | S | * | * | | | trans | 66.7 | 0 | 172.3 | -65.3 | -82.6 | 0 | 0 | 0 | 119.1 | | |