| 1 | P | 58.6 | Low | 66.5 | Low | 162 Ų | 162 | 152.6 Ų | 152.6 | 100% | 1.052 | 80% | 0.804 | S | S | * | * | | | | 0 | 107.6 | 0 | 10.2 | 12.6 | 0 | 0 | 0 | 110.4 | | |
| 2 | L | 60.3 | Low | 66.7 | Low | 181 Ų | 181 | 157.2 Ų | 157.2 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | -87.2 | 115.4 | 176.9 | -71.4 | 165.5 | 0 | 0 | 0 | 108.2 | | |
| 3 | F | 68 | Low | 65.9 | Low | 178 Ų | 178 | 153.2 Ų | 153.2 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | | | trans | -72.9 | 139.5 | 174.8 | -69.2 | -81.4 | 0 | 0 | 0 | 109.8 | I5 | F3-I5 VanDerWaalsContact O-N 3.11Å; F3-I5 PolarHBondContact O-N 3.43Å |
| 4 | P | 65.7 | Low | 65.8 | Low | 118 Ų | 118 | 154.9 Ų | 154.9 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -66.6 | 113.8 | 174.6 | -12.6 | 26.2 | 0 | 0 | 0 | 109.4 | K6 | P4-K6 VanDerWaalsContact O-N 3.16Å; P4-K6 PolarHBondContact O-N 3.33Å |
| 5 | I | 70.9 | Confident | 65.6 | Low | 162 Ų | 162 | 156.2 Ų | 156.2 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -75.6 | 104 | 173.2 | -60.2 | 170.8 | 0 | 0 | 0 | 106.9 | F3 S7 | F3-I5 VanDerWaalsContact O-N 3.11Å; F3-I5 PolarHBondContact O-N 3.43Å; I5-S7 PolarHBondContact O-N 3.37Å |
| 6 | K | 71 | Confident | 65.2 | Low | 197 Ų | 197 | 153.7 Ų | 153.7 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | -70.8 | 109.4 | 168.9 | -71 | -177.2 | 178.3 | -179.4 | 0 | 107.9 | P4 F8 | P4-K6 VanDerWaalsContact O-N 3.16Å; P4-K6 PolarHBondContact O-N 3.33Å; K6-F8 PolarHBondContact O-N 3.13Å |
| 7 | S | 63 | Low | 64.5 | Low | 107 Ų | 107 | 152.8 Ų | 152.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -71.1 | 114.4 | 171.4 | 50 | 0 | 0 | 0 | 0 | 109.3 | I5 V9 | I5-S7 PolarHBondContact O-N 3.37Å; S7-V9 PolarHBondContact O-N 3.2Å |
| 8 | F | 67.4 | Low | 63.9 | Low | 183 Ų | 183 | 151.9 Ų | 151.9 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | | | trans | -85.4 | 108 | 172.7 | -172.7 | -93.7 | 0 | 0 | 0 | 108.8 | K6 K10 | K6-F8 PolarHBondContact O-N 3.13Å; F8-K10 HydrophobicContact CD1-CB 4.3Å; F8-K10 HydrophobicContact CE1-CB 4.22Å; F8-K10 PolarHBondContact O-N 3.23Å |
| 9 | V | 68.8 | Low | 63.4 | Low | 112 Ų | 112 | 153.3 Ų | 153.3 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | | | trans | -77.4 | 105.1 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | S7 T11 | S7-V9 PolarHBondContact O-N 3.2Å; V9-T11 HydrophobicContact CG1-CG2 3.98Å; V9-T11 PolarHBondContact O-N 3.07Å |
| 10 | K | 67.9 | Low | 62.6 | Low | 183 Ų | 183 | 153.2 Ų | 153.2 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | -76.5 | 89.1 | 172.9 | -169.5 | 173.2 | -176.8 | 174.8 | 0 | 109.1 | F8 | F8-K10 HydrophobicContact CD1-CB 4.3Å; F8-K10 HydrophobicContact CE1-CB 4.22Å; F8-K10 PolarHBondContact O-N 3.23Å |
| 11 | T | 69.7 | Low | 62.2 | Low | 96 Ų | 96 | 152.7 Ų | 152.7 | 59% | 0.589 | 78% | 0.779 | S | S | * | * | | | trans | -70.9 | 130.3 | 170.4 | 51.6 | 0 | 0 | 0 | 0 | 109.2 | V9 C13 | V9-T11 HydrophobicContact CG1-CG2 3.98Å; V9-T11 PolarHBondContact O-N 3.07Å; T11-C13 PolarHBondContact OG1-SG 3.27Å; T11-C13 VanDerWaalsContact O-N 3.08Å; T11-C13 PolarHBondContact O-N 2.98Å; T11-C13 VanDerWaalsContact C-N 3.28Å |
| 12 | K | 68.8 | Low | 62 | Low | 207 Ų | 207 | 155 Ų | 155 | 90% | 0.9 | 77% | 0.773 | S | S | * | * | | | trans | -77.7 | 86.1 | 164.3 | -73.7 | -172.8 | 179.4 | -179.3 | 0 | 107 | K14 | K12-K14 PolarHBondContact O-N 3.08Å; K12-K14 VanDerWaalsContact O-N 3.07Å |
| 13 | C | 56.6 | Low | 61.4 | Low | 106 Ų | 106 | 153.4 Ų | 153.4 | 72% | 0.716 | 76% | 0.76 | S | S | * | * | | | trans | -63.4 | 110.2 | 170.5 | -57.6 | 0 | 0 | 0 | 0 | 107.8 | T11 K15 | T11-C13 PolarHBondContact OG1-SG 3.27Å; T11-C13 VanDerWaalsContact O-N 3.08Å; T11-C13 PolarHBondContact O-N 2.98Å; T11-C13 VanDerWaalsContact C-N 3.28Å; C13-K15 PolarHBondContact O-N 3.22Å |
| 14 | K | 65.1 | Low | 60.6 | Low | 176 Ų | 176 | 153 Ų | 153 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | trans | -65.5 | 101.5 | 166.9 | -175.1 | 177.4 | 177.7 | -177.2 | 0 | 106.2 | K12 N16 | K12-K14 PolarHBondContact O-N 3.08Å; K12-K14 VanDerWaalsContact O-N 3.07Å; K14-N16 VanDerWaalsContact C-N 3.3Å; K14-N16 PolarHBondContact O-N 3.28Å |
| 15 | K | 62.6 | Low | 60 | Low | 175 Ų | 175 | 155 Ų | 155 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | | | trans | -61.9 | 94.8 | 171.1 | -173.8 | 178.4 | 84.8 | 151 | 0 | 107.2 | C13 | C13-K15 PolarHBondContact O-N 3.22Š|
| 16 | N | 59.2 | Low | 59.3 | Low | 116 Ų | 116 | 152 Ų | 152 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | | | trans | -72 | 127.4 | 155.4 | -65 | -46.6 | 0 | 0 | 0 | 105.2 | K14 L18 | K14-N16 VanDerWaalsContact C-N 3.3Å; K14-N16 PolarHBondContact O-N 3.28Å; N16-L18 PolarHBondContact O-N 2.66Å |
| 17 | L | 52.5 | Low | 58.4 | Low | 138 Ų | 138 | 151.1 Ų | 151.1 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | trans | -58.4 | 85.9 | 167 | -89 | 151 | 0 | 0 | 0 | 108 | | |
| 18 | L | 54.4 | Low | 58.1 | Low | 137 Ų | 137 | 150.2 Ų | 150.2 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | -105.8 | 84.9 | 153.9 | -87 | 166.5 | 0 | 0 | 0 | 105.2 | N16 E20 | N16-L18 PolarHBondContact O-N 2.66Å; L18-E20 PolarHBondContact O-N 2.91Å |
| 19 | E | 55.1 | Low | 57.8 | Low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -71 | 76.6 | 153.1 | -166.7 | 155.1 | -165.1 | 0 | 0 | 105.7 | | |
| 20 | E | 45.7 | Very low | 56.8 | Low | 151 Ų | 151 | 148.9 Ų | 148.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -116.7 | 115.2 | 165.2 | -166 | 171.7 | -169.5 | 0 | 0 | 105.7 | L18 F22 | L18-E20 PolarHBondContact O-N 2.91Å; E20-F22 PolarHBondContact O-N 3.12Å |
| 21 | N | 54.1 | Low | 56.3 | Low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | -45.6 | 127.7 | -168.1 | -58.2 | -82.5 | 0 | 0 | 0 | 112.3 | E23 | N21-E23 VanDerWaalsContact C-N 3.32Å; N21-E23 PolarHBondContact O-N 2.86Å |
| 22 | F | 55.8 | Low | 55.8 | Low | 209 Ų | 209 | 154.3 Ų | 154.3 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -62.6 | 94.3 | 163.2 | -71.8 | -93.6 | 0 | 0 | 0 | 108.6 | E20 | E20-F22 PolarHBondContact O-N 3.12Š|
| 23 | E | 47.3 | Very low | 55.3 | Low | 148 Ų | 148 | 151.7 Ų | 151.7 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | -98.9 | 89.7 | 154.6 | -159.5 | 83 | -152.1 | 0 | 0 | 106.1 | N21 H25 | N21-E23 VanDerWaalsContact C-N 3.32Å; N21-E23 PolarHBondContact O-N 2.86Å; E23-H25 VanDerWaalsContact C-N 3.26Å; E23-H25 PolarHBondContact O-N 2.83Å |
| 24 | E | 50.8 | Low | 55.1 | Low | 169 Ų | 169 | 148.8 Ų | 148.8 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | -64.7 | 89.9 | 170.9 | -172.2 | 173.1 | -154.8 | 0 | 0 | 107.6 | S26 | E24-S26 PolarHBondContact O-N 3.28Š|
| 25 | H | 53.9 | Low | 55 | Low | 162 Ų | 162 | 148.3 Ų | 148.3 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | | | trans | -69.5 | 75.1 | 167.6 | -68.1 | -47.4 | 0 | 0 | 0 | 109.1 | E23 M27 | E23-H25 VanDerWaalsContact C-N 3.26Å; E23-H25 PolarHBondContact O-N 2.83Å; H25-M27 VanDerWaalsContact C-N 3.29Å; H25-M27 PolarHBondContact O-N 2.89Å |
| 26 | S | 55.3 | Low | 54.6 | Low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | trans | -65.1 | 93.1 | 158.2 | 51.4 | 0 | 0 | 0 | 0 | 107.3 | E24 S28 | E24-S26 PolarHBondContact O-N 3.28Å; S26-S28 PolarHBondContact O-N 2.97Å; S26-S28 VanDerWaalsContact O-N 3.08Å |
| 27 | M | 52.1 | Low | 54.9 | Low | 179 Ų | 179 | 148.4 Ų | 148.4 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | | | trans | -70.2 | 105.1 | 172.6 | -158.1 | 87 | 86 | 0 | 0 | 107.7 | H25 | H25-M27 VanDerWaalsContact C-N 3.29Å; H25-M27 PolarHBondContact O-N 2.89Å |
| 28 | S | 57.1 | Low | 55.5 | Low | 88 Ų | 88 | 148.2 Ų | 148.2 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | | | trans | -69.9 | 136.7 | 170.3 | 54 | 0 | 0 | 0 | 0 | 109.7 | S26 E30 | S26-S28 PolarHBondContact O-N 2.97Å; S26-S28 VanDerWaalsContact O-N 3.08Å; S28-E30 PolarHBondContact O-N 2.74Å |
| 29 | P | 60.4 | Low | 55.5 | Low | 133 Ų | 133 | 146.5 Ų | 146.5 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | trans | -87 | 92.8 | 164 | 32.8 | -24 | 0 | 0 | 0 | 106.6 | | |
| 30 | E | 48.3 | Very low | 56 | Low | 133 Ų | 133 | 143.5 Ų | 143.5 | 62% | 0.621 | 75% | 0.747 | S | S | * | * | | | trans | -133.6 | 118.2 | 172.5 | -127 | -166.7 | 117.2 | 0 | 0 | 113.6 | S28 | S28-E30 PolarHBondContact O-N 2.74Š|
| 31 | R | 58.1 | Low | 56.7 | Low | 189 Ų | 189 | 142.1 Ų | 142.1 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | 85.3 | 86.5 | 155.2 | -49.6 | -165.9 | -63.2 | -98.7 | 1.5 | 117.5 | M33 | R31-M33 PolarHBondContact O-N 2.72Å; R31-M33 VanDerWaalsContact O-N 3.17Å |
| 32 | E | 59.6 | Low | 56.7 | Low | 205 Ų | 205 | 141.4 Ų | 141.4 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | | | trans | -73.7 | 85.1 | 142.6 | -169.8 | 166.4 | -162.4 | 0 | 0 | 107.5 | | |
| 33 | M | 57.8 | Low | 56.6 | Low | 152 Ų | 152 | 135.6 Ų | 135.6 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | trans | -85.9 | 113.9 | 170.1 | -170.9 | 103.8 | 177.4 | 0 | 0 | 107.1 | R31 | R31-M33 PolarHBondContact O-N 2.72Å; R31-M33 VanDerWaalsContact O-N 3.17Å |
| 34 | G | 52 | Low | 56.7 | Low | 44 Ų | 44 | 134.2 Ų | 134.2 | 45% | 0.454 | 74% | 0.736 | S | S | . | * | | | trans | -47.6 | 142.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E36 | G34-E36 VanDerWaalsContact C-N 3.26Å; G34-E36 PolarHBondContact O-N 3.1Å |
| 35 | N | 62.4 | Low | 56.6 | Low | 166 Ų | 166 | 134.6 Ų | 134.6 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | | | trans | -68 | 78.4 | 176 | 56.8 | -19.6 | 0 | 0 | 0 | 111.4 | N37 | N35-N37 PolarHBondContact O-N 2.83Š|
| 36 | E | 54.2 | Low | 56.9 | Low | 141 Ų | 141 | 130.9 Ų | 130.9 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | | | trans | -89 | 99.5 | 170.7 | -57.9 | -176.6 | -144.8 | 0 | 0 | 108.8 | G34 I38 | G34-E36 VanDerWaalsContact C-N 3.26Å; G34-E36 PolarHBondContact O-N 3.1Å; E36-I38 HydrophobicContact CB-CG1 4.42Å; E36-I38 PolarHBondContact O-N 2.87Å |
| 37 | N | 65.1 | Low | 56.7 | Low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | | | trans | -66.3 | 98.2 | 169.3 | 174.3 | 15.6 | 0 | 0 | 0 | 109.2 | N35 P39 | N35-N37 PolarHBondContact O-N 2.83Å; N37-P39 WeakPolarHBondContact O-CD 3.49Å |
| 38 | I | 65.7 | Low | 56.8 | Low | 134 Ų | 134 | 134.4 Ų | 134.4 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | | | trans | -98.7 | 113.3 | 174.1 | -58.3 | 173.1 | 0 | 0 | 0 | 108.5 | E36 S40 | E36-I38 HydrophobicContact CB-CG1 4.42Å; E36-I38 PolarHBondContact O-N 2.87Å; I38-S40 PolarHBondContact O-N 3.08Å |
| 39 | P | 54.7 | Low | 56.8 | Low | 102 Ų | 102 | 137.2 Ų | 137.2 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 122 | 168.5 | 28 | -30.2 | 0 | 0 | 0 | 109.7 | N37 T41 | N37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-T41 PolarHBondContact O-N 3.11Å |
| 40 | S | 64.6 | Low | 56.4 | Low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 126.5 | 178 | 160.6 | 0 | 0 | 0 | 0 | 111.7 | I38 | I38-S40 PolarHBondContact O-N 3.08Š|
| 41 | T | 60.8 | Low | 56.8 | Low | 121 Ų | 121 | 141.2 Ų | 141.2 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 133.9 | 173.9 | -56.1 | 0 | 0 | 0 | 0 | 108.8 | P39 | P39-T41 PolarHBondContact O-N 3.11Š|
| 42 | V | 55.2 | Low | 56.5 | Low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | | | trans | 81.8 | 129.4 | 165.1 | -170.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 43 | S | 52.3 | Low | 55.9 | Low | 87 Ų | 87 | 137.2 Ų | 137.2 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | | | cis | -178.5 | 150.8 | 1.2 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 44 | T | 49.4 | Very low | 55.3 | Low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | | | trans | 59 | 107.3 | 145.8 | 50.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 45 | I | 49.8 | Very low | 55.2 | Low | 177 Ų | 177 | 142 Ų | 142 | 91% | 0.908 | 75% | 0.749 | S | S | * | * | | | trans | -137.2 | 110.4 | 130.4 | -58.3 | -176.1 | 0 | 0 | 0 | 110.3 | | |
| 46 | S | 59.4 | Low | 54.7 | Low | 84 Ų | 84 | 142.9 Ų | 142.9 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | | | trans | 23.7 | 112 | 158 | -162.6 | 0 | 0 | 0 | 0 | 121.5 | N48 | S46-N48 PolarHBondContact O-N 3.23Å; S46-N48 PolarHBondContact OG-OD1 3.46Å |
| 47 | R | 52.2 | Low | 54 | Low | 222 Ų | 222 | 144.7 Ų | 144.7 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -90.3 | 84.5 | 159.9 | -164 | 179.1 | -81.1 | 123.2 | -7.1 | 108 | N49 | R47-N49 PolarHBondContact O-N 3.03Å; R47-N49 VanDerWaalsContact O-N 3.16Å |
| 48 | N | 53.3 | Low | 52.9 | Low | 130 Ų | 130 | 141.6 Ų | 141.6 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | | | trans | -71 | 106.5 | 167.3 | -84.1 | -1.8 | 0 | 0 | 0 | 108.3 | S46 I50 | S46-N48 PolarHBondContact O-N 3.23Å; S46-N48 PolarHBondContact OG-OD1 3.46Å; N48-I50 PolarHBondContact O-N 3.47Å |
| 49 | N | 58.4 | Low | 52 | Low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -67.7 | 96.8 | 166.3 | -69.2 | -66.6 | 0 | 0 | 0 | 108.4 | R47 | R47-N49 PolarHBondContact O-N 3.03Å; R47-N49 VanDerWaalsContact O-N 3.16Å |
| 50 | I | 50.7 | Low | 51.6 | Low | 151 Ų | 151 | 141.2 Ų | 141.2 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | trans | -110.3 | 88.5 | 160.4 | -61.1 | 179.4 | 0 | 0 | 0 | 107 | N48 | N48-I50 PolarHBondContact O-N 3.47Š|
| 51 | R | 58 | Low | 50.7 | Low | 198 Ų | 198 | 140.8 Ų | 140.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | trans | -23.9 | 139.9 | 142.2 | -176.2 | -179 | -172.5 | -87.8 | 2 | 111.3 | | |
| 52 | E | 50.5 | Low | 50 | Low | 142 Ų | 142 | 142.2 Ų | 142.2 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | trans | 92.4 | 91.5 | 160.9 | -147.5 | 161.7 | -136.2 | 0 | 0 | 115.9 | V54 | E52-V54 HydrophobicContact CG-CG2 4.05Š|
| 53 | N | 47.8 | Very low | 49.7 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | | | trans | -129.4 | 99.2 | 133.3 | -161.2 | 34.9 | 0 | 0 | 0 | 108.9 | | |
| 54 | V | 44.4 | Very low | 49.7 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 58% | 0.582 | 77% | 0.77 | S | S | * | * | | | trans | -61.2 | 133.6 | 177.3 | 157 | 0 | 0 | 0 | 0 | 109.8 | E52 K56 | E52-V54 HydrophobicContact CG-CG2 4.05Å; V54-K56 PolarHBondContact O-N 3.24Å |
| 55 | F | 51.2 | Low | 49.7 | Very low | 200 Ų | 200 | 149.7 Ų | 149.7 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -42.8 | 111.1 | 155.7 | -97.1 | -101.2 | 0 | 0 | 0 | 112.3 | | |
| 56 | K | 51.7 | Low | 49.8 | Very low | 185 Ų | 185 | 148 Ų | 148 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 178.9 | 138.5 | 145 | -75 | -39.6 | -176.7 | 165.4 | 0 | 104.2 | V54 | V54-K56 PolarHBondContact O-N 3.24Š|
| 57 | E | 39.9 | Very low | 49.2 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | cis | -176.9 | 118.3 | 49.1 | -160.8 | 153.6 | 168.3 | 0 | 0 | 105.9 | | |
| 58 | A | 40.4 | Very low | 48.7 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | 74 | 126.6 | 113.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 59 | S | 48.4 | Very low | 48.4 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 74.8 | 107.3 | 146.8 | 179.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 60 | S | 46 | Very low | 48.1 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | | -176.1 | 143.8 | 93.2 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 61 | S | 44.5 | Very low | 48.2 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -59.8 | 138.3 | -173.6 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 62 | N | 47.1 | Very low | 48.1 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | -121.4 | 101.5 | 144.7 | -164.9 | 5.4 | 0 | 0 | 0 | 107.1 | | |
| 63 | I | 49 | Very low | 48.3 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -77.7 | 125.5 | 174.2 | 40.7 | 165.8 | 0 | 0 | 0 | 107.9 | E65 | I63-E65 PolarHBondContact O-N 3.29Š|
| 64 | N | 51 | Low | 48.3 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -64.7 | 113.8 | 178.7 | -38.9 | -35.8 | 0 | 0 | 0 | 108.6 | | |
| 65 | E | 49.1 | Very low | 48.7 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -102 | 99.4 | 164 | -164.8 | 168.3 | -177.6 | 0 | 0 | 108.9 | I63 | I63-E65 PolarHBondContact O-N 3.29Š|
| 66 | V | 53 | Low | 48.9 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -69.5 | 124.4 | 160.4 | 161.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 67 | G | 46.3 | Very low | 49.4 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 156.3 | 100.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 68 | S | 41.7 | Very low | 50.4 | Low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 169.7 | 95.4 | 135.4 | -161.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 69 | S | 46.5 | Very low | 51.5 | Low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | | 79.3 | 97.8 | 91.2 | -179.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 70 | T | 53 | Low | 52.1 | Low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 16.3 | 117.5 | 141.9 | 58.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 71 | N | 52.4 | Low | 52.5 | Low | 134 Ų | 134 | 130.4 Ų | 130.4 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | | -162.8 | 114.6 | 126.7 | 58 | 17.4 | 0 | 0 | 0 | 112.8 | | |
| 72 | E | 56.3 | Low | 53.1 | Low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | 45.8 | 105.4 | 133.5 | 30.2 | -163.1 | 160.2 | 0 | 0 | 120.2 | G74 | E72-G74 PolarHBondContact O-N 3.21Š|
| 73 | V | 54 | Low | 53.9 | Low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | | 13.4 | 95 | 128.6 | -177.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 74 | G | 47.4 | Very low | 54.4 | Low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -97.7 | 79.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E72 S76 | E72-G74 PolarHBondContact O-N 3.21Å; G74-S76 PolarHBondContact O-N 3.16Å |
| 75 | S | 52.8 | Low | 54.8 | Low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -68.7 | 114 | 163.5 | -74.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 76 | S | 57 | Low | 55.4 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -143 | 87.1 | 151.7 | 70.6 | 0 | 0 | 0 | 0 | 108.9 | G74 N78 | G74-S76 PolarHBondContact O-N 3.16Å; S76-N78 VanDerWaalsContact C-N 3.35Å; S76-N78 PolarHBondContact O-N 3.1Å; S76-N78 VanDerWaalsContact O-N 3.1Å |
| 77 | I | 61.8 | Low | 55.9 | Low | 157 Ų | 157 | 128.2 Ų | 128.2 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -66.7 | 103.8 | 159.5 | -59.9 | 165.6 | 0 | 0 | 0 | 103.9 | E79 | I77-E79 PolarHBondContact O-N 2.81Š|
| 78 | N | 59.9 | Low | 56.7 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -73.3 | 83.9 | 175.9 | -152.6 | 85 | 0 | 0 | 0 | 108 | S76 | S76-N78 VanDerWaalsContact C-N 3.35Å; S76-N78 PolarHBondContact O-N 3.1Å; S76-N78 VanDerWaalsContact O-N 3.1Å |
| 79 | E | 64.4 | Low | 57.7 | Low | 161 Ų | 161 | 129.8 Ų | 129.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | 26 | 99.4 | 142.1 | -37.1 | -170.3 | -134.7 | 0 | 0 | 114.8 | I77 G81 | I77-E79 PolarHBondContact O-N 2.81Å; E79-G81 PolarHBondContact O-N 3.07Å |
| 80 | I | 60.6 | Low | 58.5 | Low | 179 Ų | 179 | 132.2 Ų | 132.2 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | | | trans | -59.1 | 116.7 | 154.2 | -87.1 | 88.2 | 0 | 0 | 0 | 106.3 | | |
| 81 | G | 54.9 | Low | 58.8 | Low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | | | trans | -172.3 | 88.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E79 | E79-G81 PolarHBondContact O-N 3.07Š|
| 82 | S | 56.5 | Low | 59.2 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | 170.8 | 140.1 | 140.8 | 67.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 83 | S | 63.3 | Low | 59.5 | Low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | cis | -168.4 | 143.4 | -10.3 | 169.4 | 0 | 0 | 0 | 0 | 102.5 | E85 | S83-E85 PolarHBondContact O-N 2.98Å; S83-E85 VanDerWaalsContact O-N 3.08Å |
| 84 | D | 60.1 | Low | 59.9 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | | | trans | -54.9 | 110.8 | 176.1 | -72 | -64.3 | 0 | 0 | 0 | 112.1 | | |
| 85 | E | 59.3 | Low | 60.8 | Low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -135.4 | 93.4 | 153.4 | 56.4 | -166.4 | 179.7 | 0 | 0 | 110.2 | S83 I87 | S83-E85 PolarHBondContact O-N 2.98Å; S83-E85 VanDerWaalsContact O-N 3.08Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.08Å |
| 86 | N | 62.3 | Low | 61.5 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | trans | -52.6 | 90.3 | 162.3 | 170.4 | 33.3 | 0 | 0 | 0 | 110 | Q88 | N86-Q88 PolarHBondContact O-N 2.79Å; N86-Q88 PolarHBondContact OD1-N 2.88Å |
| 87 | I | 63.3 | Low | 62 | Low | 141 Ų | 141 | 133.9 Ų | 133.9 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | | | trans | -78.2 | 78.6 | 162.1 | -51.1 | -179.7 | 0 | 0 | 0 | 106.6 | E85 A89 | E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.08Å; I87-A89 HydrophobicContact CG2-CB 4.27Å; I87-A89 PolarHBondContact O-N 3.35Å |
| 88 | Q | 64.3 | Low | 62.5 | Low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | | | trans | -64.2 | 86.9 | 150.4 | -174.9 | 179.9 | -27.9 | 0 | 0 | 105.1 | N86 E90 | N86-Q88 PolarHBondContact O-N 2.79Å; N86-Q88 PolarHBondContact OD1-N 2.88Å; Q88-E90 PolarHBondContact O-N 3.41Å |
| 89 | A | 61 | Low | 63 | Low | 76 Ų | 76 | 136.6 Ų | 136.6 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | | | trans | -61.3 | 90 | 162.1 | 0 | 0 | 0 | 0 | 0 | 105 | I87 L91 | I87-A89 HydrophobicContact CG2-CB 4.27Å; I87-A89 PolarHBondContact O-N 3.35Å; A89-L91 PolarHBondContact O-N 3.25Å |
| 90 | E | 63.6 | Low | 63.2 | Low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | trans | -65.5 | 75.7 | 159.9 | -161.9 | 178.6 | -175 | 0 | 0 | 104.8 | Q88 G92 | Q88-E90 PolarHBondContact O-N 3.41Å; E90-G92 VanDerWaalsContact C-N 3.34Å; E90-G92 WeakPolarHBondContact O-CA 3.48Å; E90-G92 PolarHBondContact O-N 3.05Å |
| 91 | L | 59.9 | Low | 63.5 | Low | 159 Ų | 159 | 130.9 Ų | 130.9 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | -57.4 | 106.7 | 178.9 | 177.4 | 60.7 | 0 | 0 | 0 | 104.7 | A89 R93 | A89-L91 PolarHBondContact O-N 3.25Å; L91-R93 PolarHBondContact O-N 2.93Å; L91-R93 VanDerWaalsContact O-N 3.1Å |
| 92 | G | 61.4 | Low | 64.3 | Low | 59 Ų | 59 | 133.7 Ų | 133.7 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | | | trans | -39.6 | 118 | -162.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E90 N94 | E90-G92 VanDerWaalsContact C-N 3.34Å; E90-G92 WeakPolarHBondContact O-CA 3.48Å; E90-G92 PolarHBondContact O-N 3.05Å; G92-N94 PolarHBondContact O-N 3.02Å |
| 93 | R | 60.9 | Low | 64.8 | Low | 158 Ų | 158 | 136 Ų | 136 | 60% | 0.596 | 73% | 0.734 | S | S | * | * | | | trans | -18.7 | 103.1 | 162.4 | -62.7 | 166.9 | 82.1 | -154.4 | 16.1 | 108.5 | L91 R95 | L91-R93 PolarHBondContact O-N 2.93Å; L91-R93 VanDerWaalsContact O-N 3.1Å; R93-R95 PolarHBondContact O-N 2.88Å |
| 94 | N | 63.3 | Low | 65.3 | Low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | | | trans | -59.7 | 58 | 163.6 | 46.1 | -28 | 0 | 0 | 0 | 109.6 | G92 G96 | G92-N94 PolarHBondContact O-N 3.02Å; N94-G96 PolarHBondContact O-N 2.75Å |
| 95 | R | 65.5 | Low | 65.8 | Low | 194 Ų | 194 | 141.2 Ų | 141.2 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | | | trans | -71.6 | 73.1 | 158.2 | -89.6 | -176.7 | 168.8 | -175 | -4.1 | 106.1 | R93 | R93-R95 PolarHBondContact O-N 2.88Š|
| 96 | G | 68.7 | Low | 66.7 | Low | 51 Ų | 51 | 135.9 Ų | 135.9 | 53% | 0.526 | 73% | 0.726 | S | S | . | * | | | trans | -53.3 | 154 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N94 K98 | N94-G96 PolarHBondContact O-N 2.75Å; G96-K98 PolarHBondContact O-N 3.32Å; G96-K98 VanDerWaalsContact O-N 3.12Å |
| 97 | P | 66.8 | Low | 67.1 | Low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | | | trans | -56.7 | 123 | 179.1 | 22 | -30.6 | 0 | 0 | 0 | 109.3 | L99 | P97-L99 VanDerWaalsContact C-N 3.33Å; P97-L99 PolarHBondContact O-N 3.08Å |
| 98 | K | 73.3 | Confident | 67.5 | Low | 200 Ų | 200 | 136.7 Ų | 136.7 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | | | trans | -65.7 | 93.9 | 175.5 | -176.3 | 176.7 | -179 | 177.2 | 0 | 107.9 | G96 N100 | G96-K98 PolarHBondContact O-N 3.32Å; G96-K98 VanDerWaalsContact O-N 3.12Å; K98-N100 PolarHBondContact O-N 2.87Å |
| 99 | L | 69.4 | Low | 68 | Low | 153 Ų | 153 | 138 Ų | 138 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | | | trans | -68.3 | 98.7 | 176.4 | -61.3 | 179.7 | 0 | 0 | 0 | 108.5 | P97 A101 | P97-L99 VanDerWaalsContact C-N 3.33Å; P97-L99 PolarHBondContact O-N 3.08Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.17Å |
| 100 | N | 69.1 | Low | 68.6 | Low | 130 Ų | 130 | 140 Ų | 140 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | trans | -85.1 | 82 | 168.4 | -167.8 | -10.3 | 0 | 0 | 0 | 108.5 | K98 M102 | K98-N100 PolarHBondContact O-N 2.87Å; N100-M102 VanDerWaalsContact O-N 3.08Å; N100-M102 PolarHBondContact O-N 3.41Å; N100-M102 VanDerWaalsContact C-N 3.27Å |
| 101 | A | 66.8 | Low | 69.1 | Low | 90 Ų | 90 | 141.8 Ų | 141.8 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | -81 | 75.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L99 L103 | L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.17Å; A101-L103 PolarHBondContact O-N 3.02Å |
| 102 | M | 70.5 | Confident | 69.7 | Low | 126 Ų | 126 | 140.8 Ų | 140.8 | 62% | 0.621 | 76% | 0.757 | S | S | * | * | | | trans | -84.6 | 93.8 | 172.3 | -168.4 | 164.5 | 67.4 | 0 | 0 | 109.5 | N100 R104 | N100-M102 VanDerWaalsContact O-N 3.08Å; N100-M102 PolarHBondContact O-N 3.41Å; N100-M102 VanDerWaalsContact C-N 3.27Å; M102-R104 PolarHBondContact O-N 3.38Å |
| 103 | L | 68.9 | Low | 70 | Confident | 169 Ų | 169 | 148.5 Ų | 148.5 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | | | trans | -74.9 | 101.6 | 168.2 | -77.6 | 167.7 | 0 | 0 | 0 | 108.6 | A101 L105 | A101-L103 PolarHBondContact O-N 3.02Å; L103-L105 PolarHBondContact O-N 3.21Å; L103-L105 VanDerWaalsContact O-N 3.07Å |
| 104 | R | 73.1 | Confident | 70.3 | Confident | 218 Ų | 218 | 153.6 Ų | 153.6 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | | | trans | -71.4 | 101.2 | 169.2 | -72.4 | -168.4 | 176.9 | -151.3 | 0.3 | 108.6 | M102 G106 | M102-R104 PolarHBondContact O-N 3.38Å; R104-G106 PolarHBondContact O-N 3.35Å |
| 105 | L | 71.4 | Confident | 70.6 | Confident | 169 Ų | 169 | 153.2 Ų | 153.2 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | -72.7 | 105.8 | 170.5 | -175.3 | 62.7 | 0 | 0 | 0 | 108.7 | L103 | L103-L105 PolarHBondContact O-N 3.21Å; L103-L105 VanDerWaalsContact O-N 3.07Å |
| 106 | G | 76.1 | Confident | 70.9 | Confident | 56 Ų | 56 | 151.1 Ų | 151.1 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | | | trans | -75.2 | 127.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R104 L108 | R104-G106 PolarHBondContact O-N 3.35Å; G106-L108 PolarHBondContact O-N 3.4Å |
| 107 | V | 72.1 | Confident | 71 | Confident | 131 Ų | 131 | 156.6 Ų | 156.6 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -74.7 | 107.2 | 168.3 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | Q109 | V107-Q109 PolarHBondContact O-N 3.19Š|
| 108 | L | 70.8 | Confident | 71.2 | Confident | 165 Ų | 165 | 159 Ų | 159 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -73.6 | 111.7 | 162.1 | -93.6 | 113.8 | 0 | 0 | 0 | 107.4 | G106 | G106-L108 PolarHBondContact O-N 3.4Š|
| 109 | Q | 75.1 | Confident | 71.1 | Confident | 171 Ų | 171 | 156.4 Ų | 156.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.9 | 166.6 | -75.5 | -173.9 | -31.4 | 0 | 0 | 108.4 | V107 | V107-Q109 PolarHBondContact O-N 3.19Š|
| 110 | P | 73.4 | Confident | 71.2 | Confident | 117 Ų | 117 | 156.7 Ų | 156.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.6 | 173.1 | 26 | -30 | 0 | 0 | 0 | 109.6 | V112 | P110-V112 PolarHBondContact O-N 3.03Š|
| 111 | E | 75.5 | Confident | 71.4 | Confident | 184 Ų | 184 | 158.6 Ų | 158.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 127.9 | 173.3 | -71.2 | 173.7 | 167.5 | 0 | 0 | 109.6 | Y113 | E111-Y113 PolarHBondContact O-N 3.05Å; E111-Y113 VanDerWaalsContact O-N 3.13Å |
| 112 | V | 72.5 | Confident | 71.7 | Confident | 137 Ų | 137 | 163.8 Ų | 163.8 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | | | trans | -71.7 | 106.4 | 172 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | P110 K114 | P110-V112 PolarHBondContact O-N 3.03Å; V112-K114 PolarHBondContact O-N 3.16Å |
| 113 | Y | 67.2 | Low | 71.8 | Confident | 222 Ų | 222 | 167 Ų | 167 | 87% | 0.871 | 84% | 0.842 | S | S | * | * | | | trans | -64.4 | 129.6 | 172.6 | -135.7 | -90.3 | 0 | 0 | 0 | 108.9 | E111 | E111-Y113 PolarHBondContact O-N 3.05Å; E111-Y113 VanDerWaalsContact O-N 3.13Å |
| 114 | K | 65.8 | Low | 72.1 | Confident | 265 Ų | 265 | 166.8 Ų | 166.8 | 100% | 1.152 | 84% | 0.838 | S | S | * | * | | | trans | -81.9 | 0 | 173.3 | -75.4 | -174.7 | 179.2 | 179.7 | 0 | 111.3 | V112 | V112-K114 PolarHBondContact O-N 3.16Š|