| 1 | M | 62.2 | Low | 60.9 | Low | 242 Ų | 242 | 145.5 Ų | 145.5 | 100% | 1.192 | 85% | 0.853 | S | S | * | * | | | | 0 | 119.9 | 0 | -71.1 | 151.6 | 65.8 | 0 | 0 | 106.9 | | |
| 2 | F | 61.1 | Low | 60.7 | Low | 217 Ų | 217 | 138.4 Ų | 138.4 | 95% | 0.952 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 130.9 | -175.9 | -126.6 | -95.6 | 0 | 0 | 0 | 108.9 | | |
| 3 | S | 64 | Low | 60.2 | Low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 140 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 111 | | |
| 4 | P | 66.1 | Low | 59.7 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 153.8 | 176.2 | 28.6 | -33.1 | 0 | 0 | 0 | 111.3 | | |
| 5 | P | 68.5 | Low | 59.3 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.5 | -174.4 | 25.7 | -33.2 | 0 | 0 | 0 | 112.3 | | |
| 6 | V | 63.3 | Low | 59 | Low | 141 Ų | 141 | 137.1 Ų | 137.1 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 129 | 172.5 | -68.1 | 0 | 0 | 0 | 0 | 110.1 | S8 | V6-S8 PolarHBondContact O-N 3.09Å; V6-S8 VanDerWaalsContact O-N 3.08Å |
| 7 | S | 58.7 | Low | 57.7 | Low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | | | trans | -70 | 105 | 176.6 | 64 | 0 | 0 | 0 | 0 | 109.8 | G9 | S7-G9 PolarHBondContact O-N 3.09Å; S7-G9 VanDerWaalsContact O-N 3.12Å |
| 8 | S | 52.5 | Low | 57.2 | Low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | | | trans | -63.3 | 108.1 | 169.8 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | V6 K10 | V6-S8 PolarHBondContact O-N 3.09Å; V6-S8 VanDerWaalsContact O-N 3.08Å; S8-K10 PolarHBondContact O-N 2.68Å |
| 9 | G | 60.9 | Low | 56.7 | Low | 81 Ų | 81 | 130.9 Ų | 130.9 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -66 | 82 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S7 | S7-G9 PolarHBondContact O-N 3.09Å; S7-G9 VanDerWaalsContact O-N 3.12Å |
| 10 | K | 58.1 | Low | 56.9 | Low | 191 Ų | 191 | 133.3 Ų | 133.3 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | | | trans | -151.8 | 57.1 | 169.5 | -146.8 | 171.4 | -178.7 | 178.5 | 0 | 113.7 | S8 | S8-K10 PolarHBondContact O-N 2.68Š|
| 11 | N | 54.8 | Low | 56.2 | Low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -170.8 | 127.9 | 154.8 | 41.3 | -5.7 | 0 | 0 | 0 | 108.3 | | |
| 12 | G | 58.2 | Low | 55.7 | Low | 61 Ų | 61 | 131 Ų | 131 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | | | trans | -58.3 | 165.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T14 | G12-T14 PolarHBondContact O-N 2.84Å; G12-T14 VanDerWaalsContact O-N 3.16Å |
| 13 | P | 54.1 | Low | 54.8 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -65.3 | 117.5 | -167.7 | 26.2 | -33.6 | 0 | 0 | 0 | 111.4 | S15 | P13-S15 PolarHBondContact O-N 3.18Š|
| 14 | T | 53.3 | Low | 54.3 | Low | 140 Ų | 140 | 125.2 Ų | 125.2 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -83.1 | 87.6 | 153.6 | 1.7 | 0 | 0 | 0 | 0 | 106.2 | G12 L16 | G12-T14 PolarHBondContact O-N 2.84Å; G12-T14 VanDerWaalsContact O-N 3.16Å; T14-L16 PolarHBondContact O-N 2.78Å; T14-L16 VanDerWaalsContact O-N 3.14Å |
| 15 | S | 53.7 | Low | 53.1 | Low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -74.8 | 100.9 | 177.6 | -65.9 | 0 | 0 | 0 | 0 | 110 | P13 | P13-S15 PolarHBondContact O-N 3.18Š|
| 16 | L | 54.3 | Low | 52.7 | Low | 163 Ų | 163 | 126.5 Ų | 126.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -88.7 | 132.5 | 158.6 | -71.3 | 172.5 | 0 | 0 | 0 | 108.9 | T14 | T14-L16 PolarHBondContact O-N 2.78Å; T14-L16 VanDerWaalsContact O-N 3.14Å |
| 17 | A | 38 | Very low | 52.7 | Low | 93 Ų | 93 | 126.7 Ų | 126.7 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 68.5 | 117.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 18 | S | 48.4 | Very low | 52.1 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | | 58.8 | 115 | 122.7 | -156.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 19 | G | 46.5 | Very low | 52.4 | Low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | trans | 155.9 | 100.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 20 | H | 61.9 | Low | 51.7 | Low | 179 Ų | 179 | 136.3 Ų | 136.3 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -72.2 | 137.8 | 175.9 | -69 | -125.4 | 0 | 0 | 0 | 111.7 | | |
| 21 | F | 41.3 | Very low | 51.4 | Low | 196 Ų | 196 | 133.5 Ų | 133.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -165.8 | 110.3 | 141.6 | -99.6 | -74 | 0 | 0 | 0 | 111.1 | | |
| 22 | T | 51.9 | Low | 51.4 | Low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 34.8 | 115.5 | 140.7 | 63.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 23 | G | 42.6 | Very low | 50.5 | Low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | 167.5 | 85.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N25 | G23-N25 PolarHBondContact O-N 2.88Š|
| 24 | S | 52.5 | Low | 50.9 | Low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -64.1 | 112.4 | 172.6 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 25 | N | 41.7 | Very low | 50.6 | Low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -114 | 109.6 | 159 | -163.9 | -53.9 | 0 | 0 | 0 | 108 | G23 | G23-N25 PolarHBondContact O-N 2.88Š|
| 26 | V | 60.7 | Low | 50.2 | Low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | | | trans | -87.4 | 97.4 | 171 | -70.9 | 0 | 0 | 0 | 0 | 107 | | |
| 27 | E | 62.1 | Low | 49.9 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.673 | 82% | 0.824 | S | S | * | * | | | trans | -175.4 | 86.3 | 150.1 | -137.8 | 75 | -120.7 | 0 | 0 | 108.3 | | |
| 28 | D | 47.4 | Very low | 50.3 | Low | 172 Ų | 172 | 135.6 Ų | 135.6 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | | | trans | -147.4 | 88.6 | 153.2 | -90 | -47.1 | 0 | 0 | 0 | 108.6 | S30 | D28-S30 PolarHBondContact O-N 3.08Å; D28-S30 VanDerWaalsContact O-N 3.14Å |
| 29 | R | 58.3 | Low | 50 | Low | 226 Ų | 226 | 133 Ų | 133 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -48.9 | 110.5 | 155.6 | -71.8 | 167.4 | 156.4 | -176.5 | -6.3 | 108.7 | | |
| 30 | S | 44.9 | Very low | 50.3 | Low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | trans | -164.2 | 104.9 | 143.1 | -83.1 | 0 | 0 | 0 | 0 | 108.5 | D28 S32 | D28-S30 PolarHBondContact O-N 3.08Å; D28-S30 VanDerWaalsContact O-N 3.14Å; S30-S32 PolarHBondContact O-N 2.79Å |
| 31 | S | 52.7 | Low | 49.8 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 92% | 0.923 | 82% | 0.818 | S | S | * | * | | | trans | -46.5 | 122.6 | -172.9 | -50.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 32 | S | 54.1 | Low | 50 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -150.4 | 132.1 | 152.2 | 65.5 | 0 | 0 | 0 | 0 | 110.4 | S30 | S30-S32 PolarHBondContact O-N 2.79Š|
| 33 | G | 40.6 | Very low | 50 | Low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | 103.7 | 99.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 34 | S | 62.2 | Low | 50.4 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | | 48.6 | 133.5 | 69.5 | -156 | 0 | 0 | 0 | 0 | 113 | | |
| 35 | W | 46.4 | Very low | 50.2 | Low | 252 Ų | 252 | 135.2 Ų | 135.2 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | | | trans | 93.6 | 101.2 | -176.6 | -51.4 | 100.5 | 0 | 0 | 0 | 116.5 | | |
| 36 | G | 44.8 | Very low | 50.5 | Low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | 145.3 | 78.9 | 152 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 37 | N | 49.3 | Very low | 49.8 | Very low | 175 Ų | 175 | 139 Ų | 139 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | | | trans | 22.4 | 114 | 146.3 | -143.8 | 23.1 | 0 | 0 | 0 | 120.4 | | |
| 38 | G | 45.6 | Very low | 49 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -159 | 102.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 39 | G | 42.6 | Very low | 48.8 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -48.1 | 141 | -163.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 40 | H | 52.9 | Low | 47.9 | Very low | 184 Ų | 184 | 128 Ų | 128 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | | | trans | -79.9 | 145.4 | 139.1 | -113.4 | -114.2 | 0 | 0 | 0 | 107.2 | | |
| 41 | P | 51.5 | Low | 48.1 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | cis | -148.2 | 155.5 | 49.7 | 37.7 | -17.8 | 0 | 0 | 0 | 116.3 | | |
| 42 | S | 44.5 | Very low | 48.1 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | | 161.1 | 149.4 | 122.2 | -73.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 43 | P | 53.3 | Low | 47.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -87 | 120.7 | -169.3 | 34 | -30.2 | 0 | 0 | 0 | 111.1 | R45 | P43-R45 PolarHBondContact O-N 2.82Å; P43-R45 VanDerWaalsContact O-N 3.15Å |
| 44 | S | 49.7 | Very low | 48.2 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -72.4 | 108.9 | 168.5 | 58.5 | 0 | 0 | 0 | 0 | 109 | N46 | S44-N46 PolarHBondContact O-N 2.76Å; S44-N46 VanDerWaalsContact O-N 3.16Å |
| 45 | R | 48.3 | Very low | 47.4 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | | | trans | -44.1 | 114 | 170.8 | -65.8 | -179.1 | -179.7 | -145 | -3.5 | 110.7 | P43 Y47 | P43-R45 PolarHBondContact O-N 2.82Å; P43-R45 VanDerWaalsContact O-N 3.15Å; R45-Y47 HydrophobicContact CB-CD2 4.04Å; R45-Y47 HydrophobicContact CB-CE2 4.06Å; R45-Y47 HydrophobicContact CG-CE2 4.39Å; R45-Y47 PolarHBondContact NH1-OH 2.7Å |
| 46 | N | 48.8 | Very low | 47.8 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -89.7 | 106.1 | 152.3 | -96.5 | -77.4 | 0 | 0 | 0 | 107 | S44 G48 | S44-N46 PolarHBondContact O-N 2.76Å; S44-N46 VanDerWaalsContact O-N 3.16Å; N46-G48 PolarHBondContact O-N 3.18Å |
| 47 | Y | 46.4 | Very low | 48.2 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -75.5 | 102.3 | 162.9 | -82.5 | -89.7 | 0 | 0 | 0 | 107.6 | R45 | R45-Y47 HydrophobicContact CB-CD2 4.04Å; R45-Y47 HydrophobicContact CB-CE2 4.06Å; R45-Y47 HydrophobicContact CG-CE2 4.39Å; R45-Y47 PolarHBondContact NH1-OH 2.7Å |
| 48 | G | 45.2 | Very low | 47.8 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | trans | -152.3 | 85.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | N46 | N46-G48 PolarHBondContact O-N 3.18Š|
| 49 | D | 41.8 | Very low | 48.4 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | | | trans | 12.8 | 117.3 | 155.2 | -163.9 | 2 | 0 | 0 | 0 | 118.4 | | |
| 50 | G | 41.1 | Very low | 48.8 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | | | trans | 157.2 | 79.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 51 | T | 48 | Very low | 49 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -85.9 | 173.2 | 168.7 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 52 | P | 52.7 | Low | 48.8 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | | -126 | 164.4 | -81.6 | 36.1 | -17.6 | 0 | 0 | 0 | 112.3 | | |
| 53 | Y | 46.7 | Very low | 49.1 | Very low | 210 Ų | 210 | 136.8 Ų | 136.8 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | 56.3 | 98.6 | 169.4 | -79.8 | -89.1 | 0 | 0 | 0 | 117.8 | | |
| 54 | D | 49.7 | Very low | 49.1 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | | -159.3 | 152.9 | 128.5 | -130.9 | -39.5 | 0 | 0 | 0 | 110.1 | | |
| 55 | H | 47 | Very low | 49.4 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | 83.5 | 54 | -177.4 | -61.7 | -74.8 | 0 | 0 | 0 | 118.6 | T57 | H55-T57 PolarHBondContact ND1-OG1 2.69Å; H55-T57 PolarHBondContact O-N 2.85Å |
| 56 | M | 54.8 | Low | 49.5 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | -68.6 | 40 | 143.6 | -67.6 | -173.4 | 76.7 | 0 | 0 | 112.3 | | |
| 57 | T | 51.9 | Low | 50.2 | Low | 60 Ų | 60 | 140.6 Ų | 140.6 | 37% | 0.368 | 77% | 0.773 | S | S | . | * | | | trans | -139.3 | 64 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 110.2 | H55 R59 | H55-T57 PolarHBondContact ND1-OG1 2.69Å; H55-T57 PolarHBondContact O-N 2.85Å; T57-R59 PolarHBondContact O-N 2.7Å |
| 58 | S | 41.3 | Very low | 50.2 | Low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -63.2 | 87.7 | 144.4 | -175.2 | 0 | 0 | 0 | 0 | 105.8 | D60 | S58-D60 VanDerWaalsContact C-N 3.3Š|
| 59 | R | 57.7 | Low | 50.3 | Low | 202 Ų | 202 | 137.8 Ų | 137.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -95 | 21.2 | -175 | -114.9 | -171 | -134.9 | 179.6 | 6.6 | 111.7 | T57 | T57-R59 PolarHBondContact O-N 2.7Š|
| 60 | D | 51.8 | Low | 50.8 | Low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | -117.1 | 19.4 | -174.4 | -62.7 | -47.1 | 0 | 0 | 0 | 113.9 | S58 | S58-D60 VanDerWaalsContact C-N 3.3Š|
| 61 | L | 57.5 | Low | 51.8 | Low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -125.1 | 62.8 | 163.9 | -63.7 | 175.2 | 0 | 0 | 0 | 109.4 | S63 | L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 2.86Å |
| 62 | G | 46.8 | Very low | 52.2 | Low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -68.3 | 87 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 63 | S | 49.6 | Very low | 51.6 | Low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | -47.5 | 145.2 | 161 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L61 D65 | L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 2.86Å; S63-D65 PolarHBondContact O-N 3.04Å |
| 64 | H | 54.7 | Low | 51.8 | Low | 180 Ų | 180 | 136.8 Ų | 136.8 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | | | trans | -50.9 | 105.7 | -175.2 | -70.6 | -109.9 | 0 | 0 | 0 | 115 | | |
| 65 | D | 54.7 | Low | 52.1 | Low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -117.6 | 53.9 | 163.7 | -73.2 | -37.9 | 0 | 0 | 0 | 111.6 | S63 | S63-D65 PolarHBondContact O-N 3.04Š|
| 66 | N | 51.4 | Low | 52.5 | Low | 164 Ų | 164 | 141.2 Ų | 141.2 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | trans | -125.3 | 66.4 | 168.3 | -74.9 | -69.5 | 0 | 0 | 0 | 111 | S68 | N66-S68 PolarHBondContact O-N 3.14Š|
| 67 | L | 63.9 | Low | 52.4 | Low | 175 Ų | 175 | 141.6 Ų | 141.6 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -75.3 | 96.7 | 156.9 | -77.3 | 136.2 | 0 | 0 | 0 | 108.3 | | |
| 68 | S | 45.3 | Very low | 52.1 | Low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -151.9 | 139.1 | 156.3 | -146 | 0 | 0 | 0 | 0 | 111 | N66 | N66-S68 PolarHBondContact O-N 3.14Š|
| 69 | P | 48.6 | Very low | 52.3 | Low | 89 Ų | 89 | 145.6 Ų | 145.6 | 58% | 0.578 | 78% | 0.78 | S | S | * | * | | | trans | -80.3 | 161.8 | -158.6 | 33.2 | -34.7 | 0 | 0 | 0 | 113.6 | F71 | P69-F71 HydrophobicContact CB-CD2 3.97Å; P69-F71 HydrophobicContact CB-CE2 4.02Å; P69-F71 HydrophobicContact CG-CD2 4.35Å; P69-F71 PolarHBondContact O-N 2.97Å |
| 70 | P | 51.8 | Low | 52.1 | Low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -84.3 | 59.3 | -170.8 | 37.8 | -37 | 0 | 0 | 0 | 111.1 | | |
| 71 | F | 62.8 | Low | 52 | Low | 160 Ų | 160 | 143.2 Ų | 143.2 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | | | trans | -135.1 | 134 | 172.9 | -45.9 | -73.4 | 0 | 0 | 0 | 109.2 | P69 | P69-F71 HydrophobicContact CB-CD2 3.97Å; P69-F71 HydrophobicContact CB-CE2 4.02Å; P69-F71 HydrophobicContact CG-CD2 4.35Å; P69-F71 PolarHBondContact O-N 2.97Å |
| 72 | V | 55.4 | Low | 51.5 | Low | 137 Ų | 137 | 147.1 Ų | 147.1 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | 76.1 | 98.6 | 173.4 | -62.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 73 | N | 39.4 | Very low | 51.4 | Low | 172 Ų | 172 | 146.9 Ų | 146.9 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | | | trans | -110.7 | 111.9 | 142.2 | -147.4 | -25.5 | 0 | 0 | 0 | 108.1 | | |
| 74 | S | 52 | Low | 51.3 | Low | 88 Ų | 88 | 147.3 Ų | 147.3 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | | | trans | -101.9 | 144.5 | -178 | -80.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 75 | R | 56.2 | Low | 50.5 | Low | 233 Ų | 233 | 149.4 Ų | 149.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | 68.9 | 90 | 157.9 | -71.3 | 177.5 | -171.8 | -174.6 | 1.8 | 117 | | |
| 76 | I | 54 | Low | 50.4 | Low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -121.5 | 97 | 132.6 | -21.6 | 177.6 | 0 | 0 | 0 | 107 | S78 | I76-S78 PolarHBondContact O-N 2.97Å; I76-S78 VanDerWaalsContact O-N 3.16Å |
| 77 | Q | 53.5 | Low | 50 | Low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | | | trans | -63.4 | 102.4 | 157.1 | -85.2 | 172.1 | -51.6 | 0 | 0 | 106.8 | | |
| 78 | S | 45.9 | Very low | 48.9 | Very low | 90 Ų | 90 | 145.3 Ų | 145.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | -166.1 | 111.8 | 153.2 | 4.1 | 0 | 0 | 0 | 0 | 110.4 | I76 | I76-S78 PolarHBondContact O-N 2.97Å; I76-S78 VanDerWaalsContact O-N 3.16Å |
| 79 | K | 45.5 | Very low | 48.9 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | 72.5 | 82 | 161.5 | -46.7 | -162.4 | 75.6 | -175.9 | 0 | 116.7 | E81 | K79-E81 VanDerWaalsContact C-N 3.26Å; K79-E81 WeakPolarHBondContact CE-OE1 3.08Å; K79-E81 IonicContact NZ-OE1 3.75Å; K79-E81 PolarHBondContact O-N 3.48Å |
| 80 | T | 53.7 | Low | 48.7 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -65 | 83.4 | 155 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 81 | E | 49.8 | Very low | 48.1 | Very low | 151 Ų | 151 | 153 Ų | 153 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -137.4 | 54.7 | 172.5 | -72.6 | -171.3 | -133.2 | 0 | 0 | 111.7 | K79 | K79-E81 VanDerWaalsContact C-N 3.26Å; K79-E81 WeakPolarHBondContact CE-OE1 3.08Å; K79-E81 IonicContact NZ-OE1 3.75Å; K79-E81 PolarHBondContact O-N 3.48Å |
| 82 | R | 47.4 | Very low | 47.2 | Very low | 244 Ų | 244 | 150.6 Ų | 150.6 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -159.4 | 90.9 | 147.3 | -155.6 | 159.5 | -102.3 | -108.4 | 0.8 | 109.3 | | |
| 83 | G | 44.3 | Very low | 46.8 | Very low | 74 Ų | 74 | 151.1 Ų | 151.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | -65.1 | 151.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 84 | S | 47.3 | Very low | 47.2 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -76.8 | 148.6 | 169 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 85 | Y | 37.2 | Very low | 46.9 | Very low | 224 Ų | 224 | 152.6 Ų | 152.6 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | 83.7 | 110.1 | 165.2 | -69.5 | -80.9 | 0 | 0 | 0 | 118.9 | S87 | Y85-S87 PolarHBondContact O-N 3.47Š|
| 86 | S | 53.8 | Low | 46.3 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -52.4 | 125.2 | 158.7 | -76 | 0 | 0 | 0 | 0 | 110.6 | | |
| 87 | S | 42.9 | Very low | 45.5 | Very low | 67 Ų | 67 | 142.9 Ų | 142.9 | 47% | 0.469 | 78% | 0.776 | S | S | . | * | | | trans | -167.2 | 142.6 | 130.3 | -145.1 | 0 | 0 | 0 | 0 | 111.6 | Y85 | Y85-S87 PolarHBondContact O-N 3.47Š|
| 88 | Y | 39.2 | Very low | 45.6 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 81.2 | 100.9 | 165.6 | -33.3 | -65.3 | 0 | 0 | 0 | 119.4 | | |
| 89 | G | 46.6 | Very low | 45.3 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 180 | 128.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 90 | R | 43.7 | Very low | 45.5 | Very low | 230 Ų | 230 | 144.9 Ų | 144.9 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -70.3 | 172.5 | -168.5 | -76.9 | 177.7 | -159.6 | -173.6 | 5.7 | 112.6 | | |
| 91 | E | 40.2 | Very low | 44.8 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 67.4 | 81.4 | 169 | 74.5 | -83.8 | 179.6 | 0 | 0 | 120.1 | | |
| 92 | S | 43 | Very low | 44.9 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -117.7 | 117 | 134.2 | 169 | 0 | 0 | 0 | 0 | 106.7 | L94 | S92-L94 PolarHBondContact O-N 3.28Š|
| 93 | N | 47.9 | Very low | 44.9 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -61.3 | 121.7 | 170.9 | -103.6 | -81.7 | 0 | 0 | 0 | 108.2 | | |
| 94 | L | 47.9 | Very low | 45.2 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 75.6 | 110.8 | 169.1 | -80.9 | 69.5 | 0 | 0 | 0 | 116.1 | S92 | S92-L94 PolarHBondContact O-N 3.28Š|
| 95 | Q | 45.2 | Very low | 45.3 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -155.8 | 137.8 | 10.4 | -123.3 | 86.6 | 23.6 | 0 | 0 | 110.2 | | |
| 96 | G | 43.8 | Very low | 45.9 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | 88 | 64.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | H98 | G96-H98 PolarHBondContact O-N 3.26Š|
| 97 | C | 36.8 | Very low | 45.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -52.5 | 120.5 | 169.9 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | Q99 | C97-Q99 PolarHBondContact O-N 3.11Š|
| 98 | H | 54.6 | Low | 45.6 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -59.4 | 96.7 | 156.6 | -104.5 | -59.5 | 0 | 0 | 0 | 108.3 | G96 | G96-H98 PolarHBondContact O-N 3.26Š|
| 99 | Q | 39.8 | Very low | 45.9 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 57% | 0.57 | 78% | 0.784 | S | S | * | * | | | trans | -144.3 | 130.8 | 156.5 | -71.5 | -56.6 | -27.3 | 0 | 0 | 109.9 | C97 | C97-Q99 PolarHBondContact O-N 3.11Š|
| 100 | Q | 49.4 | Very low | 45.8 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -68.5 | 124.1 | -175.6 | -62.5 | 172.3 | -33.3 | 0 | 0 | 109.1 | L102 | Q100-L102 PolarHBondContact O-N 3Å; Q100-L102 VanDerWaalsContact O-N 3.16Å |
| 101 | S | 39.5 | Very low | 45.7 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -77.3 | 100 | 172.7 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | L103 | S101-L103 PolarHBondContact O-N 3.37Š|
| 102 | L | 53.1 | Low | 46.2 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -72.9 | 94.7 | 158.4 | -73.3 | 100.4 | 0 | 0 | 0 | 108.1 | Q100 | Q100-L102 PolarHBondContact O-N 3Å; Q100-L102 VanDerWaalsContact O-N 3.16Å |
| 103 | L | 47.3 | Very low | 46.2 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -136 | 108.8 | 158.2 | -70.9 | 170.5 | 0 | 0 | 0 | 107.5 | S101 | S101-L103 PolarHBondContact O-N 3.37Š|
| 104 | G | 49.7 | Very low | 45.8 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -59.4 | 138.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 105 | G | 49 | Very low | 45.9 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -121.1 | 78.6 | 161 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 106 | D | 50.3 | Low | 45.5 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | | | trans | -66 | 133.1 | 167.6 | 43.5 | -66 | 0 | 0 | 0 | 110.9 | | |
| 107 | M | 49.6 | Very low | 45.8 | Very low | 174 Ų | 174 | 130 Ų | 130 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | 64 | 106.9 | 159.2 | -61.1 | -173.6 | -81.4 | 0 | 0 | 118.9 | | |
| 108 | D | 40.1 | Very low | 46.1 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | | -150.5 | 147.8 | 124.6 | -167.4 | -141.6 | 0 | 0 | 0 | 111.7 | | |
| 109 | M | 47.3 | Very low | 46 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -95.1 | 140 | -163.6 | 179.5 | 150.1 | 65.5 | 0 | 0 | 111.3 | | |
| 110 | G | 42.9 | Very low | 46.2 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 127.3 | 104.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 111 | N | 42.4 | Very low | 46.2 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | | | | 159.4 | 116 | 111.1 | -173.4 | 34.6 | 0 | 0 | 0 | 111.1 | G113 | N111-G113 PolarHBondContact O-N 3.24Š|
| 112 | P | 49.9 | Very low | 46.4 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | | | trans | -82.5 | 110.2 | 167.5 | 32.2 | -27.7 | 0 | 0 | 0 | 110 | | |
| 113 | G | 44.2 | Very low | 46.4 | Very low | 52 Ų | 52 | 124.9 Ų | 124.9 | 54% | 0.536 | 77% | 0.768 | S | S | . | * | | | trans | 100.7 | 122.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N111 | N111-G113 PolarHBondContact O-N 3.24Š|
| 114 | T | 40 | Very low | 46.6 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | | -161.2 | 136.8 | 112.6 | 43.8 | 0 | 0 | 0 | 0 | 107.7 | S116 | T114-S116 PolarHBondContact O-N 2.97Š|
| 115 | L | 48.4 | Very low | 46.6 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 93% | 0.927 | 77% | 0.766 | S | S | * | * | | | trans | -65.6 | 127.7 | -175.5 | -67 | 160.7 | 0 | 0 | 0 | 110.2 | | |
| 116 | S | 37.1 | Very low | 46.5 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -45.9 | 138.2 | -179.7 | -165.7 | 0 | 0 | 0 | 0 | 115 | T114 | T114-S116 PolarHBondContact O-N 2.97Š|
| 117 | P | 49.9 | Very low | 46.6 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -126.9 | 109.2 | 146.3 | 34.3 | -19.7 | 0 | 0 | 0 | 110.3 | | |
| 118 | T | 42.8 | Very low | 46.6 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | 171.7 | 121.5 | 140.7 | 32.8 | 0 | 0 | 0 | 0 | 106.8 | P120 | T118-P120 WeakPolarHBondContact O-CD 2.95Å; T118-P120 WeakPolarHBondContact O-CG 3.28Å; T118-P120 VanDerWaalsContact O-N 3.12Å |
| 119 | K | 52.5 | Low | 47.4 | Very low | 215 Ų | 215 | 132.6 Ų | 132.6 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | | | trans | -65.4 | 104.9 | 180 | -164.7 | 169.8 | -172.6 | 163.8 | 0 | 109 | | |
| 120 | P | 45 | Very low | 48 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | trans | -85 | 137.4 | 172.4 | 4.6 | 18.5 | 0 | 0 | 0 | 106.8 | T118 | T118-P120 WeakPolarHBondContact O-CD 2.95Å; T118-P120 WeakPolarHBondContact O-CG 3.28Å; T118-P120 VanDerWaalsContact O-N 3.12Å |
| 121 | G | 49.8 | Very low | 48.7 | Very low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | | | trans | -48.3 | 145.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q123 | G121-Q123 PolarHBondContact O-N 3.17Š|
| 122 | S | 44.2 | Very low | 49.7 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | | | trans | -46.5 | 107.2 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | Y124 | S122-Y124 PolarHBondContact O-N 3.14Š|
| 123 | Q | 51.6 | Low | 50.1 | Low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 15.6 | 177.8 | -68.9 | -69.9 | -0.2 | 0 | 0 | 112.7 | G121 | G121-Q123 PolarHBondContact O-N 3.17Š|
| 124 | Y | 52.4 | Low | 50.7 | Low | 198 Ų | 198 | 141 Ų | 141 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -13.1 | -178.5 | -77.1 | -78 | 0 | 0 | 0 | 114.2 | S122 | S122-Y124 PolarHBondContact O-N 3.14Š|
| 125 | Y | 50 | Low | 51.8 | Low | 181 Ų | 181 | 143.7 Ų | 143.7 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | | | trans | -143 | 112 | 171.9 | -70.4 | -78.3 | 0 | 0 | 0 | 111.6 | Y127 | Y125-Y127 WeakPolarHBondContact O-CD2 3.46Å; Y125-Y127 PolarHBondContact O-N 3.35Å; Y125-Y127 VanDerWaalsContact O-N 3.09Å |
| 126 | Q | 46 | Very low | 52.5 | Low | 164 Ų | 164 | 140.6 Ų | 140.6 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | | | trans | -66 | 101.9 | 167.1 | -171.2 | 86.2 | -41.9 | 0 | 0 | 108.4 | S128 | Q126-S128 PolarHBondContact O-N 3.17Š|
| 127 | Y | 52 | Low | 53.4 | Low | 195 Ų | 195 | 143.1 Ų | 143.1 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | | | trans | -75.7 | 93.9 | 170.7 | -70.8 | -80.6 | 0 | 0 | 0 | 109.1 | Y125 S129 | Y125-Y127 WeakPolarHBondContact O-CD2 3.46Å; Y125-Y127 PolarHBondContact O-N 3.35Å; Y125-Y127 VanDerWaalsContact O-N 3.09Å; Y127-S129 PolarHBondContact O-N 2.99Å |
| 128 | S | 49.1 | Very low | 53.4 | Low | 80 Ų | 80 | 145.2 Ų | 145.2 | 56% | 0.559 | 73% | 0.727 | S | S | * | * | | | trans | -59.2 | 107.1 | 167.8 | -68.4 | 0 | 0 | 0 | 0 | 109.6 | Q126 N130 | Q126-S128 PolarHBondContact O-N 3.17Å; S128-N130 PolarHBondContact O-N 3.41Å; S128-N130 VanDerWaalsContact O-N 3.13Å |
| 129 | S | 58.9 | Low | 53.6 | Low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -1.9 | 176.3 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | Y127 | Y127-S129 PolarHBondContact O-N 2.99Š|
| 130 | N | 58.5 | Low | 53 | Low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 48 | -179.2 | -82.7 | -45.7 | 0 | 0 | 0 | 112.3 | S128 P132 | S128-N130 PolarHBondContact O-N 3.41Å; S128-N130 VanDerWaalsContact O-N 3.13Å; N130-P132 VanDerWaalsContact O-CD 3.3Å; N130-P132 WeakPolarHBondContact O-CD 3.37Å |
| 131 | N | 57.8 | Low | 53.2 | Low | 67 Ų | 67 | 138.6 Ų | 138.6 | 36% | 0.358 | 72% | 0.72 | S | S | . | * | | | trans | -90 | 110.7 | 168.8 | -168.3 | -15.7 | 0 | 0 | 0 | 110 | R133 R134 | N131-R133 PolarHBondContact O-N 3.08Å; N131-R133 WeakPolarHBondContact OD1-CB 3.46Å; N131-R133 PolarHBondContact OD1-N 2.92Å; N131-R134 HydrophobicContact CB-CG 4.17Å; N131-R134 PolarHBondContact O-N 2.99Å |
| 132 | P | 62.8 | Low | 53.2 | Low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -10.6 | 178 | 25.7 | -33.3 | 0 | 0 | 0 | 113.4 | N130 | N130-P132 VanDerWaalsContact O-CD 3.3Å; N130-P132 WeakPolarHBondContact O-CD 3.37Å |
| 133 | R | 59.2 | Low | 53.3 | Low | 224 Ų | 224 | 148 Ų | 148 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -8.3 | 172 | -74.3 | -171.9 | -84.8 | 175.2 | -9.1 | 114.6 | N131 | N131-R133 PolarHBondContact O-N 3.08Å; N131-R133 WeakPolarHBondContact OD1-CB 3.46Å; N131-R133 PolarHBondContact OD1-N 2.92Å |
| 134 | R | 57.5 | Low | 53.1 | Low | 171 Ų | 171 | 146.6 Ų | 146.6 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -98.5 | 129 | 176.7 | -66.1 | -172.9 | 71.9 | -123.9 | 1.1 | 109.6 | N131 | N131-R134 HydrophobicContact CB-CG 4.17Å; N131-R134 PolarHBondContact O-N 2.99Å |
| 135 | R | 61.6 | Low | 52.6 | Low | 198 Ų | 198 | 144 Ų | 144 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 133.6 | 175.3 | -72.3 | 177.1 | 62.1 | 89 | 4.1 | 109.3 | L137 H138 | R135-L137 PolarHBondContact O-N 3.13Å; R135-H138 PolarHBondContact NH2-NE2 3.15Å; R135-H138 VanDerWaalsContact NH2-NE2 3.17Å |
| 136 | P | 64.6 | Low | 53 | Low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -50 | 134.1 | 169.7 | -26.8 | 34.8 | 0 | 0 | 0 | 110.1 | H138 | P136-H138 PolarHBondContact O-N 3.32Å; P136-H138 VanDerWaalsContact O-N 3.14Å |
| 137 | L | 55.6 | Low | 53.4 | Low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.6 | 176.1 | -170.1 | 70.2 | 0 | 0 | 0 | 107.4 | R135 S139 | R135-L137 PolarHBondContact O-N 3.13Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.44Å |
| 138 | H | 50.8 | Low | 53.7 | Low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -72.1 | 82 | -179.6 | -85.1 | -84.5 | 0 | 0 | 0 | 109.9 | R135 P136 | R135-H138 PolarHBondContact NH2-NE2 3.15Å; R135-H138 VanDerWaalsContact NH2-NE2 3.17Å; P136-H138 PolarHBondContact O-N 3.32Å; P136-H138 VanDerWaalsContact O-N 3.14Å |
| 139 | S | 44.9 | Very low | 54.4 | Low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | trans | -86 | 113.8 | 164.6 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | L137 | L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.44Å |
| 140 | S | 41.4 | Very low | 54.9 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 50.1 | 100 | 160.5 | 67.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 141 | A | 49.1 | Very low | 55.6 | Low | 87 Ų | 87 | 151.4 Ų | 151.4 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | | | | -172.4 | 106.1 | 127.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | E143 | A141-E143 PolarHBondContact O-N 3.09Š|
| 142 | M | 49.5 | Very low | 56.1 | Low | 190 Ų | 190 | 152.6 Ų | 152.6 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | | | trans | -65.7 | 60.5 | 159.5 | 57.8 | -139.5 | 169.6 | 0 | 0 | 109.5 | V144 | M142-V144 PolarHBondContact O-N 3.2Š|
| 143 | E | 45.7 | Very low | 56.5 | Low | 166 Ų | 166 | 151 Ų | 151 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -74.7 | 105.2 | 161.3 | -162.4 | 172.1 | -164.3 | 0 | 0 | 104.6 | A141 Q145 | A141-E143 PolarHBondContact O-N 3.09Å; E143-Q145 PolarHBondContact O-N 3.12Å |
| 144 | V | 48.4 | Very low | 56.8 | Low | 126 Ų | 126 | 146.7 Ų | 146.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -56.2 | 92.9 | 173.6 | 176.7 | 0 | 0 | 0 | 0 | 106.1 | M142 T146 | M142-V144 PolarHBondContact O-N 3.2Å; V144-T146 PolarHBondContact O-N 2.87Å |
| 145 | Q | 41.5 | Very low | 57.1 | Low | 142 Ų | 142 | 142.3 Ų | 142.3 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | -52.4 | 109.6 | 166.4 | -86.5 | -170.9 | -16.7 | 0 | 0 | 104.9 | E143 K147 | E143-Q145 PolarHBondContact O-N 3.12Å; Q145-K147 HydrophobicContact CB-CG 3.88Å; Q145-K147 PolarHBondContact O-N 3.03Å |
| 146 | T | 57.6 | Low | 57.3 | Low | 131 Ų | 131 | 138.9 Ų | 138.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -69.4 | 72.9 | 168.5 | 55 | 0 | 0 | 0 | 0 | 106.1 | V144 K148 | V144-T146 PolarHBondContact O-N 2.87Å; T146-K148 PolarHBondContact O-N 3.01Å |
| 147 | K | 54.3 | Low | 57.3 | Low | 149 Ų | 149 | 137.5 Ų | 137.5 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | | | trans | -58.6 | 119.1 | 179.6 | -65.7 | -172.3 | 177.7 | -179.6 | 0 | 105 | Q145 V149 | Q145-K147 HydrophobicContact CB-CG 3.88Å; Q145-K147 PolarHBondContact O-N 3.03Å; K147-V149 PolarHBondContact O-N 3Å |
| 148 | K | 60.1 | Low | 57.4 | Low | 204 Ų | 204 | 135.6 Ų | 135.6 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | trans | -39.6 | 108.6 | 174.2 | -76.7 | -176.5 | 166 | -177.7 | 0 | 108 | T146 R150 | T146-K148 PolarHBondContact O-N 3.01Å; K148-R150 PolarHBondContact O-N 3.05Å |
| 149 | V | 63.3 | Low | 57.7 | Low | 134 Ų | 134 | 132.6 Ų | 132.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | -70.8 | 104.1 | -175.5 | 179.6 | 0 | 0 | 0 | 0 | 105.9 | K147 K151 | K147-V149 PolarHBondContact O-N 3Å; V149-K151 PolarHBondContact O-N 2.94Å |
| 150 | R | 68.8 | Low | 58.1 | Low | 225 Ų | 225 | 133.5 Ų | 133.5 | 85% | 0.849 | 75% | 0.751 | S | S | * | * | | | trans | -64.7 | 121.3 | 164.9 | -76.8 | -175.5 | -73.1 | 167.8 | -1.8 | 106.1 | K148 V152 | K148-R150 PolarHBondContact O-N 3.05Å; R150-V152 PolarHBondContact O-N 3.27Å |
| 151 | K | 73.8 | Confident | 58.5 | Low | 195 Ų | 195 | 137.8 Ų | 137.8 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | | | trans | -51.1 | 112.6 | 179.7 | -175.1 | 74.1 | 164 | -173.4 | 0 | 108.5 | V149 | V149-K151 PolarHBondContact O-N 2.94Š|
| 152 | V | 68.8 | Low | 58.8 | Low | 91 Ų | 91 | 137.4 Ų | 137.4 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 133.5 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | R150 L156 | R150-V152 PolarHBondContact O-N 3.27Å; V152-L156 HydrophobicContact CG1-CB 4.2Å |
| 153 | P | 69.9 | Low | 59 | Low | 96 Ų | 96 | 134.1 Ų | 134.1 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.9 | 174.5 | -24.3 | 33.3 | 0 | 0 | 0 | 110.7 | G155 | P153-G155 PolarHBondContact O-N 3.5Š|
| 154 | P | 66.6 | Low | 59.3 | Low | 134 Ų | 134 | 131 Ų | 131 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 124.4 | 177.1 | 25.2 | -30.7 | 0 | 0 | 0 | 109.3 | | |
| 155 | G | 61.9 | Low | 59.7 | Low | 80 Ų | 80 | 129.3 Ų | 129.3 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125.4 | -4.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P153 | P153-G155 PolarHBondContact O-N 3.5Š|
| 156 | L | 67.7 | Low | 60.3 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -87.7 | 125.6 | 171.6 | -136.4 | 75.3 | 0 | 0 | 0 | 110.1 | V152 S158 | V152-L156 HydrophobicContact CG1-CB 4.2Å; L156-S158 PolarHBondContact O-N 3.24Å |
| 157 | P | 64.4 | Low | 60.2 | Low | 82 Ų | 82 | 126.7 Ų | 126.7 | 53% | 0.532 | 74% | 0.735 | S | S | . | * | | | trans | -64.5 | 131.1 | 179.4 | 26.7 | -33.8 | 0 | 0 | 0 | 110.1 | S159 V160 | P157-S159 PolarHBondContact O-N 3.39Å; P157-V160 PolarHBondContact O-N 2.67Å |
| 158 | S | 57.4 | Low | 60.1 | Low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -0.6 | 178.3 | 55.4 | 0 | 0 | 0 | 0 | 114 | L156 V160 | L156-S158 PolarHBondContact O-N 3.24Å; S158-V160 VanDerWaalsContact C-N 3.29Å; S158-V160 PolarHBondContact O-N 3.14Å |
| 159 | S | 56.1 | Low | 59.7 | Low | 94 Ų | 94 | 119.2 Ų | 119.2 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -1.2 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | P157 Y161 | P157-S159 PolarHBondContact O-N 3.39Å; S159-Y161 PolarHBondContact O-N 3.21Å |
| 160 | V | 53.9 | Low | 59.1 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | | | trans | -84.6 | 24.1 | 169.2 | -161.9 | 0 | 0 | 0 | 0 | 111.7 | P157 S158 | P157-V160 PolarHBondContact O-N 2.67Å; S158-V160 VanDerWaalsContact C-N 3.29Å; S158-V160 PolarHBondContact O-N 3.14Å |
| 161 | Y | 49.8 | Very low | 58.1 | Low | 205 Ų | 205 | 116.9 Ų | 116.9 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -102.5 | 103.1 | 157.4 | -117.9 | -92.7 | 0 | 0 | 0 | 107 | S159 | S159-Y161 PolarHBondContact O-N 3.21Š|
| 162 | A | 55.6 | Low | 57.3 | Low | 79 Ų | 79 | 119 Ų | 119 | 65% | 0.653 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 132.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | S164 | A162-S164 PolarHBondContact O-N 3.36Š|
| 163 | P | 54.4 | Low | 56.6 | Low | 121 Ų | 121 | 119.7 Ų | 119.7 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 129.4 | 169.8 | -24.5 | 32.7 | 0 | 0 | 0 | 108.3 | A165 | P163-A165 PolarHBondContact O-N 3.28Å; P163-A165 VanDerWaalsContact O-N 3.11Å |
| 164 | S | 52.2 | Low | 55.5 | Low | 99 Ų | 99 | 121 Ų | 121 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 125 | 177.7 | -158.2 | 0 | 0 | 0 | 0 | 107.4 | A162 S166 | A162-S164 PolarHBondContact O-N 3.36Å; S164-S166 PolarHBondContact O-N 3.16Å |
| 165 | A | 56.2 | Low | 54.8 | Low | 92 Ų | 92 | 120.3 Ų | 120.3 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 24.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P163 | P163-A165 PolarHBondContact O-N 3.28Å; P163-A165 VanDerWaalsContact O-N 3.11Å |
| 166 | S | 54.5 | Low | 54.3 | Low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -1.5 | -175.6 | -168.1 | 0 | 0 | 0 | 0 | 114 | S164 | S164-S166 PolarHBondContact O-N 3.16Š|
| 167 | T | 54.4 | Low | 53.2 | Low | 107 Ų | 107 | 124.7 Ų | 124.7 | 66% | 0.656 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -132.5 | 12.2 | 175.2 | 153.9 | 0 | 0 | 0 | 0 | 111.9 | D169 | T167-D169 PolarHBondContact O-N 3Š|
| 168 | A | 53.2 | Low | 52.4 | Low | 50 Ų | 50 | 126.4 Ų | 126.4 | 41% | 0.413 | 73% | 0.733 | S | S | . | * | | | trans | -70.8 | 88.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y170 | A168-Y170 HydrophobicContact CB-CD2 3.83Å; A168-Y170 HydrophobicContact CB-CE2 3.43Å; A168-Y170 VanDerWaalsContact CB-CE2 3.43Å; A168-Y170 VanDerWaalsContact O-CD2 3.28Å; A168-Y170 WeakPolarHBondContact O-CD2 3.3Å; A168-Y170 PolarHBondContact O-N 3.27Å |
| 169 | D | 51.4 | Low | 52.2 | Low | 145 Ų | 145 | 125.7 Ų | 125.7 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | | | trans | -60.7 | 83 | 164 | -66.8 | -54 | 0 | 0 | 0 | 106.7 | T167 N171 | T167-D169 PolarHBondContact O-N 3Å; D169-N171 PolarHBondContact O-N 3.16Å |
| 170 | Y | 50.3 | Low | 51.9 | Low | 201 Ų | 201 | 126.2 Ų | 126.2 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | | | trans | -71.1 | 59 | 163 | -68.7 | -76.6 | 0 | 0 | 0 | 107.8 | A168 R172 | A168-Y170 HydrophobicContact CB-CD2 3.83Å; A168-Y170 HydrophobicContact CB-CE2 3.43Å; A168-Y170 VanDerWaalsContact CB-CE2 3.43Å; A168-Y170 VanDerWaalsContact O-CD2 3.28Å; A168-Y170 WeakPolarHBondContact O-CD2 3.3Å; A168-Y170 PolarHBondContact O-N 3.27Å; Y170-R172 PolarHBondContact O-N 2.99Å; Y170-R172 VanDerWaalsContact O-N 3.08Å |
| 171 | N | 46.9 | Very low | 51.9 | Low | 109 Ų | 109 | 129.2 Ų | 129.2 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | | | trans | -63.4 | 111.9 | 166.5 | -167.7 | 14.3 | 0 | 0 | 0 | 105.7 | D169 D173 | D169-N171 PolarHBondContact O-N 3.16Å; N171-D173 VanDerWaalsContact CG-CG 3.42Å; N171-D173 VanDerWaalsContact ND2-CG 3.33Å; N171-D173 PolarHBondContact ND2-OD2 2.74Å; N171-D173 PolarHBondContact O-N 3.23Å; N171-D173 PolarHBondContact OD1-OD1 3.16Å; N171-D173 VanDerWaalsContact OD1-OD1 3.09Å; N171-D173 PolarHBondContact OD1-OD2 3.32Å; N171-D173 VanDerWaalsContact OD1-OD2 3.09Å |
| 172 | R | 57.5 | Low | 51.8 | Low | 241 Ų | 241 | 125.3 Ų | 125.3 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | | | trans | -74.1 | 27.2 | -175.7 | -112.9 | -89 | -168.5 | 153.2 | 2 | 111.1 | Y170 | Y170-R172 PolarHBondContact O-N 2.99Å; Y170-R172 VanDerWaalsContact O-N 3.08Å |
| 173 | D | 54 | Low | 51.3 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 56% | 0.561 | 74% | 0.742 | S | S | * | * | | | trans | -97.6 | 103.8 | 174.7 | -48 | -14.2 | 0 | 0 | 0 | 105.1 | N171 P175 | N171-D173 VanDerWaalsContact CG-CG 3.42Å; N171-D173 VanDerWaalsContact ND2-CG 3.33Å; N171-D173 PolarHBondContact ND2-OD2 2.74Å; N171-D173 PolarHBondContact O-N 3.23Å; N171-D173 PolarHBondContact OD1-OD1 3.16Å; N171-D173 VanDerWaalsContact OD1-OD1 3.09Å; N171-D173 PolarHBondContact OD1-OD2 3.32Å; N171-D173 VanDerWaalsContact OD1-OD2 3.09Å; D173-P175 WeakPolarHBondContact O-CD 3.3Å |
| 174 | S | 47 | Very low | 51.1 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | trans | -64.3 | 131.1 | 173.3 | -63.2 | 0 | 0 | 0 | 0 | 110 | | |
| 175 | P | 52.6 | Low | 51 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | | | trans | -128.2 | 114.4 | 135.9 | 35.9 | -25.6 | 0 | 0 | 0 | 110.5 | D173 | D173-P175 WeakPolarHBondContact O-CD 3.3Š|
| 176 | G | 51.2 | Low | 50.8 | Low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | trans | 63.8 | 101.1 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 177 | Y | 44.6 | Very low | 50.6 | Low | 226 Ų | 226 | 131.4 Ų | 131.4 | 89% | 0.886 | 74% | 0.743 | S | S | * | * | | | trans | -43.5 | 134.4 | 150.6 | -80.3 | -93.4 | 0 | 0 | 0 | 110.7 | S179 | Y177-S179 VanDerWaalsContact C-N 3.27Å; Y177-S179 PolarHBondContact O-N 3.02Å |
| 178 | P | 47.3 | Very low | 50.2 | Low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -69.3 | 96 | 152.1 | 28.6 | -29 | 0 | 0 | 0 | 107.2 | S180 | P178-S180 PolarHBondContact O-N 2.97Å; P178-S180 VanDerWaalsContact O-N 3.14Å |
| 179 | S | 53.5 | Low | 49.9 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | -62.9 | 110.8 | 158.4 | 177.2 | 0 | 0 | 0 | 0 | 107.3 | Y177 | Y177-S179 VanDerWaalsContact C-N 3.27Å; Y177-S179 PolarHBondContact O-N 3.02Å |
| 180 | S | 48.7 | Very low | 49.9 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -144.9 | 85.3 | 167.6 | -70.3 | 0 | 0 | 0 | 0 | 107.8 | P178 | P178-S180 PolarHBondContact O-N 2.97Å; P178-S180 VanDerWaalsContact O-N 3.14Å |
| 181 | K | 54.1 | Low | 50.1 | Low | 179 Ų | 179 | 130.7 Ų | 130.7 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | | | trans | 9.6 | 133.8 | 152.8 | -59.8 | 172.2 | -178.8 | 175 | 0 | 115.8 | A183 | K181-A183 PolarHBondContact O-N 3.49Å; K181-A183 VanDerWaalsContact O-N 3.17Å |
| 182 | P | 48 | Very low | 50.5 | Low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -55.7 | 128.9 | 169.4 | 25.8 | -32.3 | 0 | 0 | 0 | 108.5 | T184 | P182-T184 PolarHBondContact O-N 3.24Š|
| 183 | A | 45.7 | Very low | 50.7 | Low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -53 | 118 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | K181 S185 | K181-A183 PolarHBondContact O-N 3.49Å; K181-A183 VanDerWaalsContact O-N 3.17Å; A183-S185 PolarHBondContact O-N 3.47Å; A183-S185 VanDerWaalsContact O-N 3.15Å |
| 184 | T | 50.4 | Low | 50.4 | Low | 126 Ų | 126 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -40.9 | 117.8 | 179.1 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | P182 T186 | P182-T184 PolarHBondContact O-N 3.24Å; T184-T186 PolarHBondContact O-N 3.26Å |
| 185 | S | 48.9 | Very low | 50.4 | Low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | -27.3 | 120.8 | 164.1 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | A183 F187 | A183-S185 PolarHBondContact O-N 3.47Å; A183-S185 VanDerWaalsContact O-N 3.15Å; S185-F187 PolarHBondContact OG-N 3.14Å; S185-F187 PolarHBondContact OG-O 3.45Å |
| 186 | T | 52.8 | Low | 50.2 | Low | 133 Ų | 133 | 133.8 Ų | 133.8 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | | | trans | -98.1 | 5.9 | 169.3 | -43 | 0 | 0 | 0 | 0 | 111.9 | T184 | T184-T186 PolarHBondContact O-N 3.26Š|
| 187 | F | 50.3 | Low | 50.6 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 77% | 0.772 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -105.8 | 134.7 | 172 | -66.2 | -75.5 | 0 | 0 | 0 | 110.3 | S185 S189 | S185-F187 PolarHBondContact OG-N 3.14Å; S185-F187 PolarHBondContact OG-O 3.45Å; F187-S189 PolarHBondContact O-N 2.96Å |
| 188 | P | 45.7 | Very low | 51.1 | Low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -62.9 | 124.9 | 173.3 | 25.2 | -30.3 | 0 | 0 | 0 | 109.3 | S190 | P188-S190 PolarHBondContact O-N 3.16Š|
| 189 | S | 46.8 | Very low | 51.2 | Low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 76% | 0.763 | S | S | * | * | | | trans | -53 | 115.6 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 110 | F187 F191 | F187-S189 PolarHBondContact O-N 2.96Å; S189-F191 PolarHBondContact O-N 2.9Å |
| 190 | S | 51.2 | Low | 51.2 | Low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | -88.4 | 98 | 175.7 | -161 | 0 | 0 | 0 | 0 | 109.4 | P188 F192 | P188-S190 PolarHBondContact O-N 3.16Å; S190-F192 VanDerWaalsContact C-N 3.27Å; S190-F192 PolarHBondContact O-N 3.31Å |
| 191 | F | 54.9 | Low | 51.5 | Low | 189 Ų | 189 | 134.7 Ų | 134.7 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 34.7 | 18.7 | 145.5 | -64.1 | -78.1 | 0 | 0 | 0 | 123.1 | S189 | S189-F191 PolarHBondContact O-N 2.9Š|
| 192 | F | 56.4 | Low | 51.8 | Low | 196 Ų | 196 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | | | trans | -133.2 | 65.3 | 167.1 | -67.2 | -77.7 | 0 | 0 | 0 | 110.9 | S190 | S190-F192 VanDerWaalsContact C-N 3.27Å; S190-F192 PolarHBondContact O-N 3.31Å |
| 193 | M | 61.4 | Low | 52.5 | Low | 169 Ų | 169 | 136.8 Ų | 136.8 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | | | trans | -96.3 | 99 | 158.6 | -64.4 | 178.1 | 78.8 | 0 | 0 | 107.3 | | |
| 194 | Q | 46.8 | Very low | 53.1 | Low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | trans | -133.5 | 86.8 | 156.6 | -162.7 | 167.2 | 1.5 | 0 | 0 | 104 | | |
| 195 | D | 47.7 | Very low | 52.9 | Low | 164 Ų | 164 | 134.9 Ų | 134.9 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | | | | 61.6 | 112.1 | 93.8 | -161 | 12 | 0 | 0 | 0 | 110.2 | | |
| 196 | G | 48.9 | Very low | 53.3 | Low | 50 Ų | 50 | 135.5 Ų | 135.5 | 52% | 0.515 | 74% | 0.743 | S | S | . | * | | | trans | 137.9 | 83.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H198 | G196-H198 PolarHBondContact O-N 2.96Å; G196-H198 VanDerWaalsContact O-N 3.16Å |
| 197 | H | 57.7 | Low | 53.1 | Low | 198 Ų | 198 | 135.4 Ų | 135.4 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | | | trans | -19.3 | 110.1 | 140.2 | -96.6 | -88.5 | 0 | 0 | 0 | 114 | | |
| 198 | H | 55.4 | Low | 53.5 | Low | 166 Ų | 166 | 130.1 Ų | 130.1 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | trans | -175.4 | 132.2 | 139.4 | 42 | -73.8 | 0 | 0 | 0 | 111.4 | G196 S200 | G196-H198 PolarHBondContact O-N 2.96Å; G196-H198 VanDerWaalsContact O-N 3.16Å; H198-S200 PolarHBondContact O-N 3.17Å |
| 199 | S | 50.1 | Low | 53.3 | Low | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | -39.8 | 116.4 | 170 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 200 | S | 53.9 | Low | 53.7 | Low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -103 | 33.1 | 166.2 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | H198 P202 | H198-S200 PolarHBondContact O-N 3.17Å; S200-P202 VanDerWaalsContact O-CD 3.3Å; S200-P202 WeakPolarHBondContact O-CD 3.47Å |
| 201 | D | 55.4 | Low | 53.8 | Low | 75 Ų | 75 | 142.2 Ų | 142.2 | 40% | 0.401 | 78% | 0.784 | S | S | . | * | | | trans | -76.3 | 115 | 159.9 | 172 | 31.4 | 0 | 0 | 0 | 107.1 | W203 S204 | D201-W203 PolarHBondContact O-N 2.97Å; D201-W203 PolarHBondContact OD1-N 3.37Å; D201-S204 PolarHBondContact O-N 2.88Å; D201-S204 WeakPolarHBondContact OD2-CB 3.44Å; D201-S204 PolarHBondContact OD2-N 3.15Å; D201-S204 PolarHBondContact OD2-OG 3.16Å |
| 202 | P | 60 | Low | 53.7 | Low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -6.2 | 179.7 | 22.7 | -29 | 0 | 0 | 0 | 113.5 | S200 | S200-P202 VanDerWaalsContact O-CD 3.3Å; S200-P202 WeakPolarHBondContact O-CD 3.47Å |
| 203 | W | 62.3 | Low | 53.6 | Low | 228 Ų | 228 | 136.2 Ų | 136.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -5.3 | 177.2 | -63.1 | 73.3 | 0 | 0 | 0 | 113.7 | D201 S205 | D201-W203 PolarHBondContact O-N 2.97Å; D201-W203 PolarHBondContact OD1-N 3.37Å; W203-S205 PolarHBondContact O-N 3.32Å |
| 204 | S | 58.3 | Low | 53.1 | Low | 63 Ų | 63 | 134.2 Ų | 134.2 | 44% | 0.441 | 77% | 0.773 | S | S | . | * | | | trans | -102.1 | 78.3 | 178.7 | -69.1 | 0 | 0 | 0 | 0 | 110.7 | D201 | D201-S204 PolarHBondContact O-N 2.88Å; D201-S204 WeakPolarHBondContact OD2-CB 3.44Å; D201-S204 PolarHBondContact OD2-N 3.15Å; D201-S204 PolarHBondContact OD2-OG 3.16Å |
| 205 | S | 46.2 | Very low | 53.5 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -100.4 | 99.4 | 160.1 | -78.6 | 0 | 0 | 0 | 0 | 109.7 | W203 | W203-S205 PolarHBondContact O-N 3.32Š|
| 206 | S | 56.2 | Low | 53.9 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | 6.8 | 116.2 | 150.8 | -166.8 | 0 | 0 | 0 | 0 | 117.1 | G208 | S206-G208 PolarHBondContact O-N 2.72Š|
| 207 | S | 50 | Low | 54.3 | Low | 132 Ų | 132 | 134.5 Ų | 134.5 | 92% | 0.923 | 78% | 0.778 | S | S | * | * | | | trans | -58.2 | 101.2 | 150.5 | -52.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 208 | G | 57.8 | Low | 54 | Low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | trans | -106.5 | 131.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S206 | S206-G208 PolarHBondContact O-N 2.72Š|
| 209 | M | 42.6 | Very low | 53.9 | Low | 268 Ų | 268 | 125.9 Ų | 125.9 | 100% | 1.32 | 77% | 0.766 | S | S | * | * | | | trans | -53.3 | 0 | 178.5 | -61.9 | 170.9 | 62.4 | 0 | 0 | 113.6 | | |