| 1 | M | 53.4 | Low | 66 | Low | 214 Ų | 214 | 133.3 Ų | 133.3 | 100% | 1.054 | 74% | 0.738 | S | S | * | * | | | | 0 | 104.4 | 0 | -57.3 | 179.9 | -148.3 | 0 | 0 | 105.9 | F3 | M1-F3 HydrophobicContact CB-CZ 4.2Å; M1-F3 HydrophobicContact CB-CE2 4.45Å |
| 2 | E | 69 | Low | 66 | Low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | | | trans | -81.7 | 138.1 | 170.4 | 56.5 | -118.8 | -142.8 | 0 | 0 | 109.9 | | |
| 3 | F | 69.4 | Low | 65.7 | Low | 171 Ų | 171 | 131.8 Ų | 131.8 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | | | trans | -108.8 | 117 | 177.3 | -57.5 | -82.1 | 0 | 0 | 0 | 108.2 | M1 L5 | M1-F3 HydrophobicContact CB-CZ 4.2Å; M1-F3 HydrophobicContact CB-CE2 4.45Å; F3-L5 PolarHBondContact O-N 2.93Å |
| 4 | D | 76.7 | Confident | 65.2 | Low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -79.4 | 107.4 | 176.9 | -176.1 | 9.8 | 0 | 0 | 0 | 110.3 | G6 | D4-G6 VanDerWaalsContact C-N 3.29Å; D4-G6 PolarHBondContact OD1-N 3.32Å |
| 5 | L | 74.6 | Confident | 65 | Low | 147 Ų | 147 | 138.9 Ų | 138.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -79.2 | -11.9 | 178.6 | -65.1 | 167 | 0 | 0 | 0 | 112.5 | F3 | F3-L5 PolarHBondContact O-N 2.93Š|
| 6 | G | 71.3 | Confident | 64.1 | Low | 43 Ų | 43 | 137.7 Ų | 137.7 | 44% | 0.443 | 77% | 0.765 | S | S | . | * | G | 310 helix | trans | -71.3 | -30.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D4 A8 L9 | D4-G6 VanDerWaalsContact C-N 3.29Å; D4-G6 PolarHBondContact OD1-N 3.32Å; G6-A8 PolarHBondContact O-N 3.23Å; G6-L9 PolarHBondContact O-N 3.29Å |
| 7 | A | 65.7 | Low | 63.7 | Low | 73 Ų | 73 | 134.3 Ų | 134.3 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -66.1 | -19.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L9 | A7-L9 VanDerWaalsContact C-N 3.33Š|
| 8 | A | 63.1 | Low | 62.9 | Low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -81 | -10.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G6 | G6-A8 PolarHBondContact O-N 3.23Š|
| 9 | L | 62.7 | Low | 62 | Low | 146 Ų | 146 | 137.5 Ų | 137.5 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -103.9 | -4 | -174.2 | -62.4 | 179.8 | 0 | 0 | 0 | 114.2 | G6 A7 P11 | G6-L9 PolarHBondContact O-N 3.29Å; A7-L9 VanDerWaalsContact C-N 3.33Å; L9-P11 VanDerWaalsContact O-CD 3.26Å; L9-P11 WeakPolarHBondContact O-CD 3.26Å |
| 10 | E | 61 | Low | 61.6 | Low | 153 Ų | 153 | 135.3 Ų | 135.3 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | -76.2 | 114.6 | 175 | -84.8 | -82.9 | 112.2 | 0 | 0 | 110.1 | T12 | E10-T12 PolarHBondContact O-N 2.9Å; E10-T12 VanDerWaalsContact O-N 3.11Å |
| 11 | P | 59.3 | Low | 61.1 | Low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -76.3 | 101.7 | 178.2 | 28.7 | -28.4 | 0 | 0 | 0 | 110.2 | L9 S13 | L9-P11 VanDerWaalsContact O-CD 3.26Å; L9-P11 WeakPolarHBondContact O-CD 3.26Å; P11-S13 VanDerWaalsContact C-N 3.32Å; P11-S13 PolarHBondContact O-N 3.35Å |
| 12 | T | 65.7 | Low | 61 | Low | 143 Ų | 143 | 131.1 Ų | 131.1 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -73.9 | 80.9 | 170.6 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | E10 | E10-T12 PolarHBondContact O-N 2.9Å; E10-T12 VanDerWaalsContact O-N 3.11Å |
| 13 | S | 62.7 | Low | 60.2 | Low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -139.1 | 71.5 | 173.6 | -179 | 0 | 0 | 0 | 0 | 111 | P11 | P11-S13 VanDerWaalsContact C-N 3.32Å; P11-S13 PolarHBondContact O-N 3.35Å |
| 14 | Q | 58.5 | Low | 59.5 | Low | 193 Ų | 193 | 121.1 Ų | 121.1 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | -107.8 | 100.2 | 158.8 | -164.6 | -178.9 | 15.4 | 0 | 0 | 106.9 | | |
| 15 | E | 61.7 | Low | 59 | Low | 177 Ų | 177 | 120.3 Ų | 120.3 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 137.1 | 170 | -76 | -142.5 | 126.6 | 0 | 0 | 110.4 | | |
| 16 | P | 50.6 | Low | 58.3 | Low | 119 Ų | 119 | 119 Ų | 119 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 137.7 | 167.2 | 30.6 | -29.3 | 0 | 0 | 0 | 110.6 | | |
| 17 | G | 57.1 | Low | 58.1 | Low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 146.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 18 | V | 49.4 | Very low | 57.9 | Low | 153 Ų | 153 | 129.4 Ų | 129.4 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | | | trans | -127.7 | 131.2 | 154.3 | 172.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 19 | E | 46.1 | Very low | 57.7 | Low | 177 Ų | 177 | 130.2 Ų | 130.2 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -77.2 | 164 | -168.4 | -162.6 | -174.7 | 149.9 | 0 | 0 | 113.8 | | |
| 20 | A | 53.8 | Low | 57.9 | Low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | 63.4 | 123.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 21 | G | 51 | Low | 57.9 | Low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | 168.4 | 75.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 22 | H | 51.5 | Low | 58 | Low | 194 Ų | 194 | 132.5 Ų | 132.5 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | | | trans | 31.4 | 118.2 | 143.9 | -69.6 | -86.1 | 0 | 0 | 0 | 120.4 | | |
| 23 | G | 52.8 | Low | 57.6 | Low | 83 Ų | 83 | 133.4 Ų | 133.4 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | | 89.6 | 119.3 | 108.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 24 | G | 54.3 | Low | 57.3 | Low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 138.7 | 92.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P26 | G24-P26 WeakPolarHBondContact O-CD 3.5Š|
| 25 | D | 66.1 | Low | 56.9 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | | | trans | -52.3 | 121.4 | 162.3 | 178 | 18.3 | 0 | 0 | 0 | 109.8 | K27 | D25-K27 IonicContact OD2-NZ 3.82Å; D25-K27 WeakPolarHBondContact OD2-CG 3.27Å; D25-K27 VanDerWaalsContact OD2-CG 3.27Å; D25-K27 WeakPolarHBondContact OD2-CE 3.32Å; D25-K27 WeakPolarHBondContact OD2-CD 3.25Å; D25-K27 VanDerWaalsContact OD2-CD 3.25Å; D25-K27 PolarHBondContact O-N 2.96Å |
| 26 | P | 60.8 | Low | 56.4 | Low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -73 | 60.9 | 175.8 | -15.5 | 31 | 0 | 0 | 0 | 112.1 | G24 L28 | G24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-L28 PolarHBondContact O-N 3.11Å |
| 27 | K | 67.2 | Low | 56.4 | Low | 169 Ų | 169 | 134 Ų | 134 | 74% | 0.735 | 79% | 0.793 | S | S | * | * | | | trans | -79.1 | 67.9 | 163.4 | -79.1 | 179.9 | -176.4 | 175.1 | 0 | 110 | D25 S29 | D25-K27 IonicContact OD2-NZ 3.82Å; D25-K27 WeakPolarHBondContact OD2-CG 3.27Å; D25-K27 VanDerWaalsContact OD2-CG 3.27Å; D25-K27 WeakPolarHBondContact OD2-CE 3.32Å; D25-K27 WeakPolarHBondContact OD2-CD 3.25Å; D25-K27 VanDerWaalsContact OD2-CD 3.25Å; D25-K27 PolarHBondContact O-N 2.96Å; K27-S29 VanDerWaalsContact C-N 3.34Å |
| 28 | L | 61.3 | Low | 55.8 | Low | 164 Ų | 164 | 139.6 Ų | 139.6 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | -102.6 | 66 | 161 | -59.4 | -176.5 | 0 | 0 | 0 | 108.3 | P26 | P26-L28 PolarHBondContact O-N 3.11Š|
| 29 | S | 58.4 | Low | 55.9 | Low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -57.7 | 127.7 | 155.8 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | K27 H31 | K27-S29 VanDerWaalsContact C-N 3.34Å; S29-H31 PolarHBondContact O-N 2.96Å |
| 30 | P | 66 | Low | 56.2 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -58.9 | 112.3 | 171.1 | -21.6 | 32.8 | 0 | 0 | 0 | 108.6 | K32 | P30-K32 PolarHBondContact O-N 3.3Š|
| 31 | H | 61.5 | Low | 56.1 | Low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | trans | -58.9 | 112.7 | 175.9 | -175 | -76.2 | 0 | 0 | 0 | 107.8 | S29 L33 | S29-H31 PolarHBondContact O-N 2.96Å; H31-L33 PolarHBondContact O-N 3.25Å |
| 32 | K | 61 | Low | 56.3 | Low | 189 Ų | 189 | 132.9 Ų | 132.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -59.9 | 109.4 | 174.4 | -65.9 | -156.3 | 174.4 | -164.8 | 0 | 108.1 | P30 Q34 | P30-K32 PolarHBondContact O-N 3.3Å; K32-Q34 PolarHBondContact O-N 3.03Å; K32-Q34 VanDerWaalsContact O-N 3.15Å |
| 33 | L | 58.3 | Low | 56.6 | Low | 161 Ų | 161 | 130.6 Ų | 130.6 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -81.6 | 90 | 169.1 | -67.6 | 177.1 | 0 | 0 | 0 | 108 | H31 G35 | H31-L33 PolarHBondContact O-N 3.25Å; L33-G35 PolarHBondContact O-N 3.4Å |
| 34 | Q | 56.9 | Low | 56.5 | Low | 193 Ų | 193 | 129.9 Ų | 129.9 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -83.3 | 92.9 | 164.4 | -162.9 | 172.2 | -7 | 0 | 0 | 107.5 | K32 | K32-Q34 PolarHBondContact O-N 3.03Å; K32-Q34 VanDerWaalsContact O-N 3.15Å |
| 35 | G | 49.3 | Very low | 56.4 | Low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -113.4 | 109.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L33 | L33-G35 PolarHBondContact O-N 3.4Š|
| 36 | R | 50.6 | Low | 55.9 | Low | 235 Ų | 235 | 136.6 Ų | 136.6 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -93.4 | 126 | 176.5 | -163.7 | -160.4 | 178.7 | -177.3 | -1.3 | 106.5 | | |
| 37 | S | 50.8 | Low | 55.8 | Low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | | | | 165.6 | 141.3 | 81.4 | -96.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 38 | E | 44.4 | Very low | 55.1 | Low | 197 Ų | 197 | 134.1 Ų | 134.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | | 172.3 | 151.5 | 121.9 | -163.4 | 159.3 | 131.2 | 0 | 0 | 109.4 | | |
| 39 | A | 51.5 | Low | 54.9 | Low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | trans | -65.4 | 146.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 40 | G | 52.1 | Low | 54.9 | Low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | 69.8 | 95.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 41 | A | 52.1 | Low | 54.6 | Low | 105 Ų | 105 | 137.9 Ų | 137.9 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | -162.1 | 118.4 | 143 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 42 | G | 54.3 | Low | 54.6 | Low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -69.1 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 43 | P | 59.1 | Low | 54.5 | Low | 145 Ų | 145 | 131.2 Ų | 131.2 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | | | trans | -76 | 126.6 | -178.7 | 30.7 | -31.8 | 0 | 0 | 0 | 111.1 | | |
| 44 | G | 49.9 | Very low | 55 | Low | 68 Ų | 68 | 130.8 Ų | 130.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | -172.8 | 156.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 45 | P | 52.3 | Low | 55.2 | Low | 135 Ų | 135 | 127.4 Ų | 127.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | | -89.6 | 159 | -106 | 31.5 | -35.7 | 0 | 0 | 0 | 114.9 | | |
| 46 | E | 56.3 | Low | 55.8 | Low | 191 Ų | 191 | 129 Ų | 129 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 146.1 | -174 | -58.3 | -174.8 | 113 | 0 | 0 | 113.8 | G48 | E46-G48 PolarHBondContact O-N 3.35Š|
| 47 | Q | 59.1 | Low | 56.5 | Low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 119.8 | -178.9 | -71 | 162.4 | -34.6 | 0 | 0 | 111.1 | H49 | Q47-H49 PolarHBondContact O-N 3.22Š|
| 48 | G | 51.1 | Low | 57.3 | Low | 53 Ų | 53 | 124.3 Ų | 124.3 | 55% | 0.546 | 80% | 0.803 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 131.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E46 H50 | E46-G48 PolarHBondContact O-N 3.35Å; G48-H50 PolarHBondContact O-ND1 3.17Å; G48-H50 PolarHBondContact O-N 3.48Å; G48-H50 PolarHBondContact O-CE1 3.44Å |
| 49 | H | 57 | Low | 58.3 | Low | 180 Ų | 180 | 120 Ų | 120 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | | | trans | -66.5 | 114.2 | 174.6 | -62.5 | -179.3 | 0 | 0 | 0 | 109.9 | Q47 | Q47-H49 PolarHBondContact O-N 3.22Š|
| 50 | H | 58.1 | Low | 59.1 | Low | 172 Ų | 172 | 120.3 Ų | 120.3 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | | | trans | -96 | 86.5 | 166.1 | -9 | -65.4 | 0 | 0 | 0 | 107.5 | G48 S52 | G48-H50 PolarHBondContact O-ND1 3.17Å; G48-H50 PolarHBondContact O-N 3.48Å; G48-H50 PolarHBondContact O-CE1 3.44Å; H50-S52 PolarHBondContact O-N 3.26Å |
| 51 | S | 59.7 | Low | 60 | Low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -84.6 | 90.3 | 165.7 | -65.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 52 | S | 61.9 | Low | 60.5 | Low | 95 Ų | 95 | 124.1 Ų | 124.1 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | trans | -89.6 | 103.4 | 161 | -56.6 | 0 | 0 | 0 | 0 | 107.2 | H50 | H50-S52 PolarHBondContact O-N 3.26Š|
| 53 | S | 59.8 | Low | 61.1 | Low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -98.6 | 94 | 170.2 | -70.1 | 0 | 0 | 0 | 0 | 108 | | |
| 54 | D | 69.3 | Low | 61 | Low | 152 Ų | 152 | 126.9 Ų | 126.9 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 123.9 | 175.1 | -49.5 | -63.9 | 0 | 0 | 0 | 108.7 | | |
| 55 | S | 61.2 | Low | 61.4 | Low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 152.2 | -169.3 | -65.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 56 | S | 62.2 | Low | 61.7 | Low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56 | 146 | -177.4 | -51 | 0 | 0 | 0 | 0 | 116.1 | | |
| 57 | S | 64.8 | Low | 61.8 | Low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | | | trans | -150 | 106.5 | 145.8 | -75.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 58 | S | 66.3 | Low | 61.6 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -128.6 | 95 | 167.2 | -157 | 0 | 0 | 0 | 0 | 107.3 | S60 | S58-S60 PolarHBondContact O-N 3.4Š|
| 59 | S | 66.9 | Low | 61.4 | Low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -71.9 | 109.7 | 172.3 | -42.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 60 | S | 66.8 | Low | 61.3 | Low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -102.4 | 91.4 | 170.8 | -74.9 | 0 | 0 | 0 | 0 | 108.5 | S58 S62 | S58-S60 PolarHBondContact O-N 3.4Å; S60-S62 PolarHBondContact O-N 3.35Å |
| 61 | D | 71.6 | Confident | 61 | Low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -80.8 | 98.9 | 162.7 | -68.8 | -68.8 | 0 | 0 | 0 | 107.3 | | |
| 62 | S | 63.2 | Low | 60.6 | Low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -105.2 | 90.4 | 172.4 | -69.7 | 0 | 0 | 0 | 0 | 109 | S60 | S60-S62 PolarHBondContact O-N 3.35Š|
| 63 | D | 65.7 | Low | 60.5 | Low | 150 Ų | 150 | 125.9 Ų | 125.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -105.3 | 94.2 | 167 | -158.9 | -77.9 | 0 | 0 | 0 | 107.5 | | |
| 64 | T | 57.6 | Low | 60.6 | Low | 123 Ų | 123 | 129.5 Ų | 129.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -145.6 | 87 | 163.3 | 47.9 | 0 | 0 | 0 | 0 | 110 | V66 | T64-V66 PolarHBondContact O-N 3.4Š|
| 65 | D | 58.4 | Low | 60.1 | Low | 167 Ų | 167 | 131.5 Ų | 131.5 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -67 | 72.8 | 154.9 | -110.2 | -83 | 0 | 0 | 0 | 109.4 | | |
| 66 | V | 59.5 | Low | 59.8 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | | | trans | -138.6 | 102.9 | 171.1 | 178 | 0 | 0 | 0 | 0 | 110.8 | T64 | T64-V66 PolarHBondContact O-N 3.4Š|
| 67 | K | 58.3 | Low | 59.2 | Low | 184 Ų | 184 | 137.4 Ų | 137.4 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -9.7 | 132.4 | 158.1 | -169.7 | 167.7 | 168.4 | -179.1 | 0 | 115.7 | H69 | K67-H69 PolarHBondContact O-N 2.98Š|
| 68 | P | 53.7 | Low | 59 | Low | 131 Ų | 131 | 136.3 Ų | 136.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -68.9 | 102 | 179.2 | 28 | -33.1 | 0 | 0 | 0 | 110.2 | | |
| 69 | H | 47.2 | Very low | 58.8 | Low | 158 Ų | 158 | 136.8 Ų | 136.8 | 73% | 0.731 | 79% | 0.786 | S | S | * | * | | | trans | -87.5 | 131 | 161.6 | 82 | -55 | 0 | 0 | 0 | 108.8 | K67 A71 | K67-H69 PolarHBondContact O-N 2.98Å; H69-A71 PolarHBondContact O-N 2.89Å |
| 70 | T | 55.5 | Low | 58.5 | Low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -55 | 117.9 | 172.6 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 71 | A | 51.9 | Low | 58.5 | Low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | 178.1 | 112.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H69 | H69-A71 PolarHBondContact O-N 2.89Š|
| 72 | G | 51 | Low | 58.4 | Low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | | 68.6 | 119.9 | 125.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 73 | S | 60.2 | Low | 58.9 | Low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | 74.1 | 129.6 | 151.8 | 79.6 | 0 | 0 | 0 | 0 | 116 | | |
| 74 | K | 60.6 | Low | 59.6 | Low | 185 Ų | 185 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | cis | -143 | 132.6 | 48.4 | -61 | -172.7 | 177.8 | -176 | 0 | 112.4 | H76 | K74-H76 PolarHBondContact O-N 3.22Š|
| 75 | Q | 59.2 | Low | 60.7 | Low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | -65.9 | 117.7 | 163.2 | -65 | 163.1 | -83 | 0 | 0 | 107.9 | | |
| 76 | H | 55.9 | Low | 61.4 | Low | 182 Ų | 182 | 140.6 Ų | 140.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -90.3 | 106.5 | 151.3 | -96.9 | -89.7 | 0 | 0 | 0 | 107 | K74 S78 | K74-H76 PolarHBondContact O-N 3.22Å; H76-S78 PolarHBondContact O-N 3.1Å |
| 77 | E | 48.6 | Very low | 62.4 | Low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -43.8 | 102.6 | 169.7 | -164.4 | 172.5 | 109.7 | 0 | 0 | 109.6 | T79 | E77-T79 PolarHBondContact O-N 3.31Å; E77-T79 VanDerWaalsContact O-N 3.11Å |
| 78 | S | 61.7 | Low | 63.4 | Low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | -63.5 | 112.8 | 164.9 | 56.8 | 0 | 0 | 0 | 0 | 106.1 | H76 P80 | H76-S78 PolarHBondContact O-N 3.1Å; S78-P80 WeakPolarHBondContact O-CD 3.06Å; S78-P80 VanDerWaalsContact O-N 3.16Å |
| 79 | T | 62 | Low | 64.5 | Low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -47.3 | 127 | 167.4 | 48.9 | 0 | 0 | 0 | 0 | 107.6 | E77 G81 | E77-T79 PolarHBondContact O-N 3.31Å; E77-T79 VanDerWaalsContact O-N 3.11Å; T79-G81 PolarHBondContact O-N 2.71Å |
| 80 | P | 58.9 | Low | 66 | Low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | -69.1 | 89.9 | 177.5 | 23.9 | -29.1 | 0 | 0 | 0 | 107.3 | S78 K82 | S78-P80 WeakPolarHBondContact O-CD 3.06Å; S78-P80 VanDerWaalsContact O-N 3.16Å; P80-K82 PolarHBondContact O-N 3.15Å; P80-K82 VanDerWaalsContact O-N 3.15Å |
| 81 | G | 67.9 | Low | 66.7 | Low | 63 Ų | 63 | 150.9 Ų | 150.9 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | trans | -50.1 | 122.7 | 175 | 0 | 0 | 0 | 0 | 0 | 107.8 | T79 A83 | T79-G81 PolarHBondContact O-N 2.71Å; G81-A83 PolarHBondContact O-N 3.11Å |
| 82 | K | 69.5 | Low | 67.7 | Low | 205 Ų | 205 | 156.2 Ų | 156.2 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -52.8 | 110.7 | -178.7 | -65.8 | -69.9 | -178.5 | -178.1 | 0 | 108.3 | P80 K84 | P80-K82 PolarHBondContact O-N 3.15Å; P80-K82 VanDerWaalsContact O-N 3.15Å; K82-K84 PolarHBondContact O-N 3.33Å |
| 83 | A | 74.3 | Confident | 68.4 | Low | 92 Ų | 92 | 162.2 Ų | 162.2 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | | | trans | -58.9 | 125.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G81 K85 | G81-A83 PolarHBondContact O-N 3.11Å; A83-K85 PolarHBondContact O-N 3.26Å; A83-K85 VanDerWaalsContact O-N 3.1Å |
| 84 | K | 79.1 | Confident | 68.7 | Low | 205 Ų | 205 | 164.8 Ų | 164.8 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | | | trans | -66.2 | 111.1 | 177.4 | -177 | 163.1 | -178.8 | 165.9 | 0 | 108.8 | K82 | K82-K84 PolarHBondContact O-N 3.33Š|
| 85 | K | 80.3 | Confident | 68.7 | Low | 192 Ų | 192 | 165.5 Ų | 165.5 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | -61.2 | 137 | 177.7 | -68.2 | -176.1 | 178.1 | -179.3 | 0 | 110.4 | A83 K87 | A83-K85 PolarHBondContact O-N 3.26Å; A83-K85 VanDerWaalsContact O-N 3.1Å; K85-K87 PolarHBondContact O-N 3.01Å |
| 86 | P | 75 | Confident | 68.6 | Low | 117 Ų | 117 | 159.4 Ų | 159.4 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | -67.2 | 133.4 | 175.6 | 26.7 | -32.7 | 0 | 0 | 0 | 110.4 | V88 | P86-V88 PolarHBondContact O-N 3.42Å; P86-V88 VanDerWaalsContact O-N 3.17Å |
| 87 | K | 78.8 | Confident | 69 | Low | 208 Ų | 208 | 160 Ų | 160 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -77.4 | 101.1 | 178 | -170.7 | 168.9 | -176.9 | 172.6 | 0 | 109.2 | K85 K89 | K85-K87 PolarHBondContact O-N 3.01Å; K87-K89 PolarHBondContact O-N 2.78Å |
| 88 | V | 80.5 | Confident | 69.7 | Low | 133 Ų | 133 | 161.6 Ų | 161.6 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 126.2 | 175.8 | -67 | 0 | 0 | 0 | 0 | 110.7 | P86 | P86-V88 PolarHBondContact O-N 3.42Å; P86-V88 VanDerWaalsContact O-N 3.17Å |
| 89 | K | 76.4 | Confident | 69.4 | Low | 203 Ų | 203 | 165.8 Ų | 165.8 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 119.1 | 173.1 | -174 | 176.1 | 178.9 | 177.7 | 0 | 108.6 | K87 K91 | K87-K89 PolarHBondContact O-N 2.78Å; K89-K91 PolarHBondContact O-N 2.91Å |
| 90 | K | 78 | Confident | 69.2 | Low | 201 Ų | 201 | 164.2 Ų | 164.2 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 120.5 | 176.3 | -175 | 174.1 | 178.6 | 173.4 | 0 | 109.8 | | |
| 91 | K | 71.3 | Confident | 69.4 | Low | 198 Ų | 198 | 164.9 Ų | 164.9 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 134.5 | 168.7 | -76.4 | -169.7 | 175.3 | -176.7 | 0 | 109.4 | K89 K93 | K89-K91 PolarHBondContact O-N 2.91Å; K91-K93 PolarHBondContact O-N 3.27Å |
| 92 | K | 72.4 | Confident | 68.3 | Low | 202 Ų | 202 | 174 Ų | 174 | 88% | 0.878 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 119.2 | 173.4 | -175.8 | -179.7 | 177.7 | -171.9 | 0 | 107.8 | E94 | K92-E94 PolarHBondContact O-N 3.01Š|
| 93 | K | 66.8 | Low | 68.3 | Low | 196 Ų | 196 | 172.5 Ų | 172.5 | 85% | 0.852 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.3 | 170.6 | -167.5 | 178.3 | -177.4 | -179.6 | 0 | 107.4 | K91 K95 | K91-K93 PolarHBondContact O-N 3.27Å; K93-K95 PolarHBondContact O-N 3.03Å |
| 94 | E | 64.9 | Low | 67.9 | Low | 165 Ų | 165 | 176.7 Ų | 176.7 | 77% | 0.771 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.9 | 169.3 | -168.5 | 175.1 | 166.6 | 0 | 0 | 107.4 | K92 G96 | K92-E94 PolarHBondContact O-N 3.01Å; E94-G96 PolarHBondContact O-N 2.96Å |
| 95 | K | 60.4 | Low | 67.3 | Low | 200 Ų | 200 | 175.2 Ų | 175.2 | 87% | 0.87 | 86% | 0.856 | S | S | * | * | | | trans | -68 | 104.1 | 170.5 | -88.6 | -171.5 | 174.5 | -174.5 | 0 | 106.2 | K93 K97 | K93-K95 PolarHBondContact O-N 3.03Å; K95-K97 PolarHBondContact O-N 3.35Å |
| 96 | G | 57.8 | Low | 66.6 | Low | 67 Ų | 67 | 174.2 Ų | 174.2 | 69% | 0.691 | 86% | 0.857 | S | S | * | * | | | trans | -48.3 | 132.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E94 K98 | E94-G96 PolarHBondContact O-N 2.96Å; G96-K98 PolarHBondContact O-N 2.98Å |
| 97 | K | 63.7 | Low | 66 | Low | 195 Ų | 195 | 177.8 Ų | 177.8 | 85% | 0.848 | 86% | 0.863 | S | S | * | * | | | trans | -59 | 124.7 | 177.5 | -59.1 | 177.6 | -178.3 | -178.9 | 0 | 107.8 | K95 E99 | K95-K97 PolarHBondContact O-N 3.35Å; K97-E99 PolarHBondContact O-N 3.15Å |
| 98 | K | 63.4 | Low | 65.2 | Low | 209 Ų | 209 | 175.7 Ų | 175.7 | 91% | 0.909 | 86% | 0.86 | S | S | * | * | | | trans | -69 | 110.2 | 162.8 | -82.7 | -173.6 | 173.4 | -175.8 | 0 | 106.5 | G96 | G96-K98 PolarHBondContact O-N 2.98Š|
| 99 | E | 55.8 | Low | 64.1 | Low | 191 Ų | 191 | 178.8 Ų | 178.8 | 89% | 0.893 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 137.9 | 164.9 | -154.3 | 170.2 | 179.5 | 0 | 0 | 108.3 | K97 | K97-E99 PolarHBondContact O-N 3.15Š|
| 100 | A | 57.9 | Low | 63.1 | Low | 87 Ų | 87 | 176.9 Ų | 176.9 | 72% | 0.719 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 165.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 101 | P | 62.9 | Low | 61.9 | Low | 133 Ų | 133 | 174.9 Ų | 174.9 | 86% | 0.864 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 144.4 | -168.1 | 33.6 | -30.9 | 0 | 0 | 0 | 111.5 | | |
| 102 | H | 45.4 | Very low | 61 | Low | 256 Ų | 256 | 172.8 Ų | 172.8 | 100% | 1.185 | 86% | 0.862 | S | S | * | * | | | trans | -122.1 | 0 | 160.1 | -173 | -60.1 | 0 | 0 | 0 | 108.6 | | |