| 1 | M | 47.8 | Very low | 63 | Low | 246 Ų | 246 | 135.7 Ų | 135.7 | 100% | 1.212 | 74% | 0.738 | S | S | * | * | | | | 0 | 120 | 0 | -78.5 | -173.4 | 153.4 | 0 | 0 | 107.6 | | |
| 2 | S | 65.4 | Low | 63.4 | Low | 67 Ų | 67 | 138 Ų | 138 | 47% | 0.469 | 74% | 0.74 | S | S | . | * | | | trans | -76 | 131 | -172.6 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | Q4 | S2-Q4 PolarHBondContact O-N 3.22Å; S2-Q4 WeakPolarHBondContact OG-CB 3.39Å; S2-Q4 PolarHBondContact OG-N 3.35Å |
| 3 | T | 62.4 | Low | 63.5 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -74.7 | -8.2 | 173.1 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | R6 | T3-R6 PolarHBondContact O-N 3.42Š|
| 4 | Q | 63 | Low | 63.7 | Low | 130 Ų | 130 | 134.3 Ų | 134.3 | 61% | 0.607 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -69.6 | -33 | -176.5 | -63.4 | 179 | -9.7 | 0 | 0 | 112.5 | S2 R6 L7 F8 | S2-Q4 PolarHBondContact O-N 3.22Å; S2-Q4 WeakPolarHBondContact OG-CB 3.39Å; S2-Q4 PolarHBondContact OG-N 3.35Å; Q4-R6 PolarHBondContact O-N 3.18Å; Q4-L7 PolarHBondContact O-N 3.29Å; Q4-L7 VanDerWaalsContact O-N 3.15Å; Q4-F8 PolarHBondContact O-N 3.15Å |
| 5 | D | 61.7 | Low | 63.4 | Low | 125 Ų | 125 | 132.9 Ų | 132.9 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -67.9 | -15.9 | 179 | -58.3 | -26.2 | 0 | 0 | 0 | 113 | | |
| 6 | R | 63.9 | Low | 63.8 | Low | 229 Ų | 229 | 136.3 Ų | 136.3 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -88.8 | -28.1 | 174 | -75.4 | -173.9 | 179.3 | -170.2 | -0.4 | 113.5 | T3 Q4 | T3-R6 PolarHBondContact O-N 3.42Å; Q4-R6 PolarHBondContact O-N 3.18Å |
| 7 | L | 66.3 | Low | 63.9 | Low | 136 Ų | 136 | 142.2 Ų | 142.2 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -81.1 | -36.6 | -176.4 | -74.1 | 170 | 0 | 0 | 0 | 111.6 | Q4 | Q4-L7 PolarHBondContact O-N 3.29Å; Q4-L7 VanDerWaalsContact O-N 3.15Å |
| 8 | F | 69.2 | Low | 63.9 | Low | 166 Ų | 166 | 147.9 Ų | 147.9 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -107.8 | 76 | 171.3 | -50.4 | -73.1 | 0 | 0 | 0 | 106.2 | Q4 S10 | Q4-F8 PolarHBondContact O-N 3.15Å; F8-S10 PolarHBondContact O-N 3.19Å |
| 9 | G | 65 | Low | 64 | Low | 59 Ų | 59 | 143.3 Ų | 143.3 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -40.3 | 128.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S11 | G9-S11 PolarHBondContact O-N 3.17Š|
| 10 | S | 64.5 | Low | 63.8 | Low | 98 Ų | 98 | 146.9 Ų | 146.9 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | -39.8 | 139.6 | -177.2 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | F8 E12 | F8-S10 PolarHBondContact O-N 3.19Å; S10-E12 PolarHBondContact O-N 3.08Å |
| 11 | S | 64 | Low | 63.9 | Low | 129 Ų | 129 | 148.3 Ų | 148.3 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | -59.2 | 62.7 | -176.1 | -43.4 | 0 | 0 | 0 | 0 | 113.4 | G9 | G9-S11 PolarHBondContact O-N 3.17Š|
| 12 | E | 67.2 | Low | 64.6 | Low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 122.6 | 174.6 | -161.9 | 165.7 | -173.8 | 0 | 0 | 106.8 | S10 S14 | S10-E12 PolarHBondContact O-N 3.08Å; E12-S14 PolarHBondContact O-N 3.04Å; E12-S14 VanDerWaalsContact O-N 3.09Å |
| 13 | P | 64.6 | Low | 64.3 | Low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.3 | -173.2 | 23.1 | -31.6 | 0 | 0 | 0 | 109.7 | | |
| 14 | S | 67.1 | Low | 64.2 | Low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.9 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | E12 Q16 | E12-S14 PolarHBondContact O-N 3.04Å; E12-S14 VanDerWaalsContact O-N 3.09Å; S14-Q16 PolarHBondContact O-N 3.4Å |
| 15 | P | 59.1 | Low | 64 | Low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 124.7 | -177.3 | -24.5 | 31.6 | 0 | 0 | 0 | 111.8 | R17 | P15-R17 PolarHBondContact O-N 3.12Š|
| 16 | Q | 70.4 | Confident | 63.8 | Low | 188 Ų | 188 | 151.3 Ų | 151.3 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | trans | -65.4 | 105 | -179.5 | -160.2 | 155.5 | -11.8 | 0 | 0 | 108.6 | S14 R18 | S14-Q16 PolarHBondContact O-N 3.4Å; Q16-R18 PolarHBondContact O-N 2.88Å |
| 17 | R | 64.1 | Low | 63.4 | Low | 236 Ų | 236 | 145.3 Ų | 145.3 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | | | trans | -56.2 | 109.8 | 177.7 | -71.1 | 179.3 | 71.4 | -140.8 | 2.9 | 107.4 | P15 G19 | P15-R17 PolarHBondContact O-N 3.12Å; R17-G19 PolarHBondContact O-N 3.36Å |
| 18 | R | 65.2 | Low | 63 | Low | 245 Ų | 245 | 142.2 Ų | 142.2 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | | | trans | -56.4 | 100.4 | 173.7 | -73.2 | -178.8 | 171.1 | -170.1 | -3.1 | 107.8 | Q16 R20 | Q16-R18 PolarHBondContact O-N 2.88Å; R18-R20 PolarHBondContact O-N 2.82Å |
| 19 | G | 64.4 | Low | 62.7 | Low | 61 Ų | 61 | 142.8 Ų | 142.8 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | trans | -56.9 | 133.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | R17 I21 | R17-G19 PolarHBondContact O-N 3.36Å; G19-I21 PolarHBondContact O-N 3.46Å |
| 20 | R | 61.5 | Low | 62.4 | Low | 214 Ų | 214 | 148.8 Ų | 148.8 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -62.7 | 131.7 | 172.5 | -74.8 | 179.4 | 167.6 | 171 | -4.5 | 107.4 | R18 S22 D23 | R18-R20 PolarHBondContact O-N 2.82Å; R20-S22 PolarHBondContact O-N 2.92Å; R20-D23 PolarHBondContact O-N 2.62Å; R20-D23 VanDerWaalsContact O-N 3.09Å |
| 21 | I | 64.4 | Low | 61.9 | Low | 177 Ų | 177 | 149.1 Ų | 149.1 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 1 | -171.1 | 56.2 | 166.7 | 0 | 0 | 0 | 116.1 | G19 | G19-I21 PolarHBondContact O-N 3.46Š|
| 22 | S | 63.3 | Low | 61.4 | Low | 94 Ų | 94 | 145.7 Ų | 145.7 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -8.5 | 177.5 | 59.2 | 0 | 0 | 0 | 0 | 114.5 | R20 T24 | R20-S22 PolarHBondContact O-N 2.92Å; S22-T24 VanDerWaalsContact C-N 3.31Å; S22-T24 PolarHBondContact O-N 3.13Å; S22-T24 VanDerWaalsContact O-N 3.14Å |
| 23 | D | 59.2 | Low | 60.4 | Low | 112 Ų | 112 | 143.4 Ų | 143.4 | 60% | 0.599 | 76% | 0.757 | S | S | * | * | | | trans | -88.1 | 62.9 | 179.4 | -83.2 | -16 | 0 | 0 | 0 | 111.6 | R20 Y25 | R20-D23 PolarHBondContact O-N 2.62Å; R20-D23 VanDerWaalsContact O-N 3.09Å; D23-Y25 VanDerWaalsContact C-N 3.33Å |
| 24 | T | 60.6 | Low | 59.7 | Low | 109 Ų | 109 | 143.9 Ų | 143.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -76.6 | -19.8 | 172.3 | -49.2 | 0 | 0 | 0 | 0 | 112.3 | S22 | S22-T24 VanDerWaalsContact C-N 3.31Å; S22-T24 PolarHBondContact O-N 3.13Å; S22-T24 VanDerWaalsContact O-N 3.14Å |
| 25 | Y | 57.6 | Low | 58.7 | Low | 208 Ų | 208 | 147.8 Ų | 147.8 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | | | trans | -116.2 | 21.9 | -171.3 | -58.9 | -74.6 | 0 | 0 | 0 | 115.9 | D23 S27 | D23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-S27 PolarHBondContact O-N 2.95Å; Y25-S27 VanDerWaalsContact O-N 3.11Å |
| 26 | R | 58 | Low | 58.4 | Low | 216 Ų | 216 | 150.5 Ų | 150.5 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | | | trans | -83.6 | 68.5 | 154.9 | -78.5 | -160.2 | 165 | -105 | -2.8 | 108.7 | S28 | R26-S28 VanDerWaalsContact C-N 3.35Å; R26-S28 PolarHBondContact O-N 2.83Å |
| 27 | S | 54.7 | Low | 57.2 | Low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -53.4 | 103.5 | 157.5 | 32.2 | 0 | 0 | 0 | 0 | 107.4 | Y25 I29 | Y25-S27 PolarHBondContact O-N 2.95Å; Y25-S27 VanDerWaalsContact O-N 3.11Å; S27-I29 PolarHBondContact O-N 3.14Å; S27-I29 VanDerWaalsContact O-N 3.13Å |
| 28 | S | 58.8 | Low | 56.6 | Low | 71 Ų | 71 | 144.1 Ų | 144.1 | 50% | 0.497 | 76% | 0.76 | S | S | . | * | | | trans | -65.4 | 112.6 | 173 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | R26 F30 S31 | R26-S28 VanDerWaalsContact C-N 3.35Å; R26-S28 PolarHBondContact O-N 2.83Å; S28-F30 PolarHBondContact O-N 2.76Å; S28-F30 VanDerWaalsContact O-N 3.08Å; S28-F30 WeakPolarHBondContact OG-CA 3.49Å; S28-F30 PolarHBondContact OG-N 3.12Å; S28-F30 PolarHBondContact OG-O 3.4Å; S28-S31 PolarHBondContact O-N 2.76Å |
| 29 | I | 62.7 | Low | 55.3 | Low | 178 Ų | 178 | 137.9 Ų | 137.9 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -61.2 | -4.8 | 162.8 | 26.9 | 170.8 | 0 | 0 | 0 | 112.2 | S27 | S27-I29 PolarHBondContact O-N 3.14Å; S27-I29 VanDerWaalsContact O-N 3.13Å |
| 30 | F | 58.4 | Low | 54.4 | Low | 184 Ų | 184 | 142.6 Ų | 142.6 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | -113 | 73.7 | 165.9 | -106.5 | -96.7 | 0 | 0 | 0 | 109.2 | S28 G32 | S28-F30 PolarHBondContact O-N 2.76Å; S28-F30 VanDerWaalsContact O-N 3.08Å; S28-F30 WeakPolarHBondContact OG-CA 3.49Å; S28-F30 PolarHBondContact OG-N 3.12Å; S28-F30 PolarHBondContact OG-O 3.4Å; F30-G32 PolarHBondContact O-N 3.17Å |
| 31 | S | 54.3 | Low | 53.6 | Low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | -75.9 | 75 | 155.7 | -66.2 | 0 | 0 | 0 | 0 | 107.1 | S28 S33 | S28-S31 PolarHBondContact O-N 2.76Å; S31-S33 PolarHBondContact O-N 3.2Å; S31-S33 VanDerWaalsContact O-N 3.12Å |
| 32 | G | 53.1 | Low | 52.9 | Low | 56 Ų | 56 | 136.6 Ų | 136.6 | 58% | 0.577 | 75% | 0.745 | S | S | * | * | | | trans | -63.7 | 110.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | F30 T34 | F30-G32 PolarHBondContact O-N 3.17Å; G32-T34 PolarHBondContact O-N 3.09Å |
| 33 | S | 46.8 | Very low | 52.2 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -57.1 | 94.4 | 175 | -56.7 | 0 | 0 | 0 | 0 | 110 | S31 E35 | S31-S33 PolarHBondContact O-N 3.2Å; S31-S33 VanDerWaalsContact O-N 3.12Å; S33-E35 PolarHBondContact O-N 3.11Å |
| 34 | T | 50 | Low | 51.6 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -83.2 | 100.9 | 157.3 | 23.4 | 0 | 0 | 0 | 0 | 106.8 | G32 Q36 | G32-T34 PolarHBondContact O-N 3.09Å; T34-Q36 PolarHBondContact O-N 3.39Å |
| 35 | E | 46.9 | Very low | 51.3 | Low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | trans | -53.1 | 88.4 | 159.7 | -60.2 | -176.2 | 169.2 | 0 | 0 | 108.1 | S33 | S33-E35 PolarHBondContact O-N 3.11Š|
| 36 | Q | 52.1 | Low | 51.1 | Low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -103.3 | 93.8 | 159.1 | -99.2 | -174.3 | -0.2 | 0 | 0 | 106.6 | T34 S38 | T34-Q36 PolarHBondContact O-N 3.39Å; Q36-S38 PolarHBondContact O-N 3.16Å |
| 37 | E | 44.6 | Very low | 50.9 | Low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -58.7 | 89.9 | 160.3 | -170.7 | 178.3 | -174.2 | 0 | 0 | 108 | | |
| 38 | S | 51.2 | Low | 51.3 | Low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -112.2 | 91.9 | 164.6 | 68.3 | 0 | 0 | 0 | 0 | 108.6 | Q36 L40 | Q36-S38 PolarHBondContact O-N 3.16Å; S38-L40 PolarHBondContact O-N 2.98Å; S38-L40 VanDerWaalsContact O-N 3.14Å |
| 39 | T | 39.1 | Very low | 51.2 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -64.4 | 104 | 163.7 | -60 | 0 | 0 | 0 | 0 | 108.9 | | |
| 40 | L | 44.7 | Very low | 51.2 | Low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -155.7 | 86.7 | 143.7 | -120.4 | 124.8 | 0 | 0 | 0 | 110.6 | S38 N42 | S38-L40 PolarHBondContact O-N 2.98Å; S38-L40 VanDerWaalsContact O-N 3.14Å; L40-N42 PolarHBondContact O-N 2.83Å |
| 41 | N | 46.3 | Very low | 51.2 | Low | 113 Ų | 113 | 134.4 Ų | 134.4 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | | | trans | -21.8 | 109.3 | 153.6 | 48 | -17 | 0 | 0 | 0 | 117.1 | | |
| 42 | N | 48.2 | Very low | 51.3 | Low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | 45.7 | 99.2 | 137.3 | 35 | -81.2 | 0 | 0 | 0 | 119.5 | L40 | L40-N42 PolarHBondContact O-N 2.83Š|
| 43 | S | 48.3 | Very low | 51.4 | Low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -112.8 | 108.8 | 141.9 | 73.4 | 0 | 0 | 0 | 0 | 110.5 | T45 | S43-T45 PolarHBondContact O-N 2.92Š|
| 44 | S | 47.2 | Very low | 51.6 | Low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -9.4 | 100.4 | 163.1 | -173.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 45 | T | 54.1 | Low | 51.8 | Low | 137 Ų | 137 | 137.7 Ų | 137.7 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -91.9 | 104 | 154.9 | 48.3 | 0 | 0 | 0 | 0 | 108.2 | S43 S47 | S43-T45 PolarHBondContact O-N 2.92Å; T45-S47 PolarHBondContact O-N 3.25Å |
| 46 | E | 53.9 | Low | 52 | Low | 175 Ų | 175 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -44 | 119.4 | 170 | -179.4 | 179.3 | 162.5 | 0 | 0 | 111 | A48 | E46-A48 PolarHBondContact O-N 3.14Š|
| 47 | S | 53.2 | Low | 52 | Low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -67.6 | 92.9 | 172.1 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | T45 K49 | T45-S47 PolarHBondContact O-N 3.25Å; S47-K49 PolarHBondContact O-N 3.01Å |
| 48 | A | 63.4 | Low | 52.1 | Low | 81 Ų | 81 | 129.8 Ų | 129.8 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | -66.2 | 101.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108 | E46 L50 | E46-A48 PolarHBondContact O-N 3.14Å; A48-L50 PolarHBondContact O-N 3.26Å |
| 49 | K | 56.3 | Low | 52.1 | Low | 202 Ų | 202 | 132.3 Ų | 132.3 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | | | trans | -59.8 | 103.1 | 165.6 | -68.6 | -177.3 | 177.8 | -176.5 | 0 | 107.3 | S47 D51 | S47-K49 PolarHBondContact O-N 3.01Å; K49-D51 PolarHBondContact O-N 2.97Å |
| 50 | L | 63.8 | Low | 52.6 | Low | 154 Ų | 154 | 134.7 Ų | 134.7 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | -80.7 | 113.2 | 162.1 | -66.8 | 176.9 | 0 | 0 | 0 | 106.1 | A48 D52 | A48-L50 PolarHBondContact O-N 3.26Å; L50-D52 PolarHBondContact O-N 3.1Å |
| 51 | D | 57.9 | Low | 52.6 | Low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | -66.5 | 112.3 | 177.7 | -162.8 | -6.3 | 0 | 0 | 0 | 108.3 | K49 S53 | K49-D51 PolarHBondContact O-N 2.97Å; D51-S53 PolarHBondContact O-N 3.34Å |
| 52 | D | 56.9 | Low | 52.6 | Low | 162 Ų | 162 | 132.5 Ų | 132.5 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | | | trans | -72.7 | 41.4 | -179.9 | -90.6 | -28.4 | 0 | 0 | 0 | 112.4 | L50 A54 | L50-D52 PolarHBondContact O-N 3.1Å; D52-A54 PolarHBondContact O-N 3.09Å |
| 53 | S | 55 | Low | 52.3 | Low | 91 Ų | 91 | 132.3 Ų | 132.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -80.9 | 76.2 | 169.8 | 43.4 | 0 | 0 | 0 | 0 | 110.4 | D51 | D51-S53 PolarHBondContact O-N 3.34Š|
| 54 | A | 50.8 | Low | 52.6 | Low | 83 Ų | 83 | 132 Ų | 132 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | | | trans | 43.6 | 97.4 | 130.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | D52 I56 | D52-A54 PolarHBondContact O-N 3.09Å; A54-I56 PolarHBondContact O-N 3.38Å |
| 55 | V | 53.2 | Low | 52.6 | Low | 138 Ų | 138 | 135 Ų | 135 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | | 8.8 | 90.6 | 124.9 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | N57 | V55-N57 PolarHBondContact O-N 3.43Š|
| 56 | I | 52.1 | Low | 52.6 | Low | 157 Ų | 157 | 136.6 Ų | 136.6 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | trans | 9.6 | 100.3 | 137.8 | -53.1 | 172.1 | 0 | 0 | 0 | 112 | A54 G58 | A54-I56 PolarHBondContact O-N 3.38Å; I56-G58 PolarHBondContact O-N 2.78Å |
| 57 | N | 51 | Low | 52.2 | Low | 164 Ų | 164 | 137.2 Ų | 137.2 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | -48.9 | 100.7 | 161.2 | -83.2 | -13 | 0 | 0 | 0 | 108.6 | V55 N59 | V55-N57 PolarHBondContact O-N 3.43Å; N57-N59 PolarHBondContact O-N 2.92Å; N57-N59 VanDerWaalsContact O-N 3.13Å |
| 58 | G | 48 | Very low | 52 | Low | 58 Ų | 58 | 139.3 Ų | 139.3 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | -65.6 | 106.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108 | I56 E60 | I56-G58 PolarHBondContact O-N 2.78Å; G58-E60 PolarHBondContact O-N 2.88Å |
| 59 | N | 50.1 | Low | 50.8 | Low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -21.6 | 92.9 | 157.1 | 56.6 | -6.3 | 0 | 0 | 0 | 114.8 | N57 | N57-N59 PolarHBondContact O-N 2.92Å; N57-N59 VanDerWaalsContact O-N 3.13Å |
| 60 | E | 49.8 | Very low | 49.8 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | | | trans | -72.1 | 131.4 | 156.1 | 60.8 | -164.9 | 173.8 | 0 | 0 | 109 | G58 | G58-E60 PolarHBondContact O-N 2.88Š|
| 61 | N | 45.2 | Very low | 48.5 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | 89.6 | 112.3 | 160.2 | -45.6 | -23.3 | 0 | 0 | 0 | 117.5 | | |
| 62 | G | 47.3 | Very low | 47.5 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | -178.9 | 40.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V64 | G62-V64 PolarHBondContact O-N 3.3Š|
| 63 | D | 41.5 | Very low | 46.7 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -72.5 | 84.5 | 162 | -176.5 | 26 | 0 | 0 | 0 | 107 | | |
| 64 | V | 54 | Low | 46.1 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | -121.8 | 87.2 | 170.5 | -178.8 | 0 | 0 | 0 | 0 | 106.4 | G62 E66 | G62-V64 PolarHBondContact O-N 3.3Å; V64-E66 HydrophobicContact CG1-CB 4.03Å; V64-E66 PolarHBondContact O-N 3.46Å; V64-E66 VanDerWaalsContact O-N 3.16Å |
| 65 | E | 46.7 | Very low | 45.7 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -59.5 | 101.4 | 154.2 | -63.6 | -77.4 | 146.7 | 0 | 0 | 107.2 | | |
| 66 | E | 54.5 | Low | 45.2 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -126.7 | 125.4 | 167.1 | -165.4 | 168.7 | -171.7 | 0 | 0 | 109.6 | V64 | V64-E66 HydrophobicContact CG1-CB 4.03Å; V64-E66 PolarHBondContact O-N 3.46Å; V64-E66 VanDerWaalsContact O-N 3.16Å |
| 67 | E | 46.1 | Very low | 44.6 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -52.5 | 136.6 | -167.1 | -63.1 | -102.8 | 132.4 | 0 | 0 | 114 | D69 | E67-D69 PolarHBondContact O-N 3Š|
| 68 | V | 48.7 | Very low | 44.2 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | | | trans | -68.8 | 96.4 | 165.8 | 171 | 0 | 0 | 0 | 0 | 108.3 | | |
| 69 | D | 37.7 | Very low | 43.6 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -107 | 135.5 | 153.3 | -160.3 | 8.6 | 0 | 0 | 0 | 109.8 | E67 | E67-D69 PolarHBondContact O-N 3Š|
| 70 | G | 35.4 | Very low | 43.2 | Very low | 53 Ų | 53 | 145.1 Ų | 145.1 | 55% | 0.546 | 80% | 0.8 | S | S | . | * | | | trans | -70.5 | 153.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 71 | S | 37.5 | Very low | 42.9 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | 143.3 | 137.8 | 131.6 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 72 | E | 35.2 | Very low | 42.9 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | 79.3 | 101.6 | 165.2 | -68.4 | -168.4 | 153.7 | 0 | 0 | 120 | | |
| 73 | E | 40.8 | Very low | 42.8 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -26.2 | 126.3 | 134.3 | -61.5 | -174.3 | 158.5 | 0 | 0 | 113.6 | | |
| 74 | V | 42.3 | Very low | 42.9 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | | | trans | -150.1 | 111 | 131.2 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | K76 | V74-K76 HydrophobicContact CG1-CG 4.1Å; V74-K76 PolarHBondContact O-N 2.88Å |
| 75 | L | 42.7 | Very low | 42.7 | Very low | 173 Ų | 173 | 151.5 Ų | 151.5 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -52.4 | 111.6 | 157.8 | -73.2 | 156.2 | 0 | 0 | 0 | 110.3 | | |
| 76 | K | 43.1 | Very low | 42.6 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -132.5 | 83.3 | 156.5 | -78.1 | -171.3 | -177.7 | 177.4 | 0 | 110.1 | V74 N78 | V74-K76 HydrophobicContact CG1-CG 4.1Å; V74-K76 PolarHBondContact O-N 2.88Å; K76-N78 PolarHBondContact O-N 3.13Å |
| 77 | E | 40 | Very low | 42.2 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -35.7 | 117 | 134.3 | -178.8 | -177.6 | -164.6 | 0 | 0 | 110 | | |
| 78 | N | 41.7 | Very low | 42 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | trans | 164.1 | 124 | 135.1 | -84.8 | -40.7 | 0 | 0 | 0 | 111.9 | K76 | K76-N78 PolarHBondContact O-N 3.13Š|
| 79 | G | 36.1 | Very low | 41.7 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | 103.1 | 61.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 80 | T | 40.6 | Very low | 41.8 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -100.5 | 76.6 | 148.8 | 38.2 | 0 | 0 | 0 | 0 | 109.6 | T82 | T80-T82 PolarHBondContact O-N 2.87Š|
| 81 | E | 43.8 | Very low | 42.7 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -71.2 | 102.7 | 153.6 | -76.4 | -176.4 | 154.5 | 0 | 0 | 108.1 | | |
| 82 | T | 44.4 | Very low | 43 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -137.4 | 94.3 | 156.6 | 45.8 | 0 | 0 | 0 | 0 | 110 | T80 | T80-T82 PolarHBondContact O-N 2.87Š|
| 83 | V | 46.8 | Very low | 44 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | | | trans | 28.9 | 103.8 | 149.2 | -168.4 | 0 | 0 | 0 | 0 | 117.1 | R85 | V83-R85 PolarHBondContact O-N 3.01Å; V83-R85 VanDerWaalsContact O-N 3.11Å |
| 84 | S | 43.9 | Very low | 44.7 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -47.5 | 109.5 | 159.2 | 180 | 0 | 0 | 0 | 0 | 111 | E86 | S84-E86 PolarHBondContact O-N 3.25Š|
| 85 | R | 49.5 | Very low | 44.7 | Very low | 215 Ų | 215 | 149.9 Ų | 149.9 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | trans | -86.8 | 93.7 | 166.7 | -168.4 | 176.9 | 178 | 179 | -2 | 108 | V83 T87 | V83-R85 PolarHBondContact O-N 3.01Å; V83-R85 VanDerWaalsContact O-N 3.11Å; R85-T87 HydrophobicContact CG-CG2 4.26Å; R85-T87 PolarHBondContact O-N 3.15Å; R85-T87 VanDerWaalsContact O-N 3.12Å |
| 86 | E | 44.6 | Very low | 45.1 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | | | trans | -58.8 | 104.7 | 166.8 | -166.5 | 171.8 | -157.3 | 0 | 0 | 109 | S84 | S84-E86 PolarHBondContact O-N 3.25Š|
| 87 | T | 45.6 | Very low | 45.3 | Very low | 108 Ų | 108 | 143 Ų | 143 | 66% | 0.663 | 82% | 0.815 | S | S | * | * | | | trans | -119.3 | 108.2 | 165.5 | 49.1 | 0 | 0 | 0 | 0 | 109.5 | R85 | R85-T87 HydrophobicContact CG-CG2 4.26Å; R85-T87 PolarHBondContact O-N 3.15Å; R85-T87 VanDerWaalsContact O-N 3.12Å |
| 88 | T | 40.8 | Very low | 45.2 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -49.2 | 126 | 171.2 | 37.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 89 | S | 43.9 | Very low | 45.3 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -157.9 | 111 | 147.4 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 90 | G | 40.1 | Very low | 45.8 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | -66.3 | 126.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 91 | K | 52.6 | Low | 46 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | trans | -127.2 | 126.5 | 143.1 | -88.2 | -177.9 | 177.4 | 173.6 | 0 | 108.2 | I93 | K91-I93 PolarHBondContact O-N 3.02Š|
| 92 | E | 45.2 | Very low | 46.1 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -58.4 | 97 | -172.6 | -55.4 | 168.1 | 166.9 | 0 | 0 | 110.6 | K94 | E92-K94 PolarHBondContact O-N 2.96Š|
| 93 | I | 54.8 | Low | 46.5 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -69.4 | 99.7 | 164.1 | 40.7 | 169.9 | 0 | 0 | 0 | 107.4 | K91 S95 | K91-I93 PolarHBondContact O-N 3.02Å; I93-S95 PolarHBondContact O-N 3Å |
| 94 | K | 55.2 | Low | 46.6 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | | | trans | -56.9 | 110.6 | 164.8 | -75.8 | 177.2 | 179.1 | 175.6 | 0 | 107.3 | E92 S96 | E92-K94 PolarHBondContact O-N 2.96Å; K94-S96 VanDerWaalsContact C-N 3.34Å; K94-S96 PolarHBondContact O-N 3.13Å |
| 95 | S | 44.1 | Very low | 46.8 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -54.8 | 92.6 | 173.9 | -62 | 0 | 0 | 0 | 0 | 110.7 | I93 A97 | I93-S95 PolarHBondContact O-N 3Å; S95-A97 PolarHBondContact O-N 2.99Å |
| 96 | S | 50.5 | Low | 46.7 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -86 | 92.1 | 155.3 | 58.1 | 0 | 0 | 0 | 0 | 107.1 | K94 G98 | K94-S96 VanDerWaalsContact C-N 3.34Å; K94-S96 PolarHBondContact O-N 3.13Å; S96-G98 PolarHBondContact O-N 3.06Å; S96-G98 VanDerWaalsContact O-N 3.14Å |
| 97 | A | 46.2 | Very low | 46.9 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -61.7 | 107.5 | 161 | 0 | 0 | 0 | 0 | 0 | 107.7 | S95 | S95-A97 PolarHBondContact O-N 2.99Š|
| 98 | G | 38.9 | Very low | 47.2 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | | | trans | 166.3 | 94.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S96 | S96-G98 PolarHBondContact O-N 3.06Å; S96-G98 VanDerWaalsContact O-N 3.14Å |
| 99 | A | 43.6 | Very low | 47.8 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | 69.2 | 104.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | G101 | A99-G101 PolarHBondContact O-N 2.98Š|
| 100 | N | 46.6 | Very low | 48.3 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | | | trans | -0.6 | 91.8 | 136.5 | -64.4 | -11 | 0 | 0 | 0 | 115.3 | | |
| 101 | G | 45.3 | Very low | 48.7 | Very low | 61 Ų | 61 | 130.8 Ų | 130.8 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | | | trans | -132.3 | 91 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | A99 I103 | A99-G101 PolarHBondContact O-N 2.98Å; G101-I103 PolarHBondContact O-N 3.04Å |
| 102 | Q | 45.7 | Very low | 49.1 | Very low | 202 Ų | 202 | 129.7 Ų | 129.7 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | | | trans | -53.5 | 105.5 | 164.6 | -83.8 | 172.9 | -41.7 | 0 | 0 | 108.2 | | |
| 103 | I | 52.2 | Low | 50 | Low | 163 Ų | 163 | 128.7 Ų | 128.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | | | trans | -101 | 89.9 | 159.2 | -57.7 | 177.6 | 0 | 0 | 0 | 105.1 | G101 G105 | G101-I103 PolarHBondContact O-N 3.04Å; I103-G105 VanDerWaalsContact C-N 3.26Å; I103-G105 PolarHBondContact O-N 3.12Å |
| 104 | A | 48.3 | Very low | 50.1 | Low | 99 Ų | 99 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -61.2 | 90.3 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | N106 | A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.07Å; A104-N106 VanDerWaalsContact O-N 3.13Å |
| 105 | G | 49.6 | Very low | 50.4 | Low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -82.8 | 78.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I103 | I103-G105 VanDerWaalsContact C-N 3.26Å; I103-G105 PolarHBondContact O-N 3.12Å |
| 106 | N | 46.9 | Very low | 51.6 | Low | 117 Ų | 117 | 123.6 Ų | 123.6 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | trans | 29.7 | 103.5 | 149.5 | 173.4 | -16.7 | 0 | 0 | 0 | 116.6 | A104 T108 | A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.07Å; A104-N106 VanDerWaalsContact O-N 3.13Å; N106-T108 VanDerWaalsContact C-N 3.29Å; N106-T108 PolarHBondContact O-N 2.87Å; N106-T108 PolarHBondContact O-OG1 3.16Å; N106-T108 WeakPolarHBondContact OD1-CA 3.18Å; N106-T108 PolarHBondContact OD1-N 2.83Å; N106-T108 PolarHBondContact OD1-OG1 3Å |
| 107 | D | 47.8 | Very low | 52.4 | Low | 164 Ų | 164 | 124.2 Ų | 124.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | -58.9 | 87.3 | 157.6 | -63.9 | -55.2 | 0 | 0 | 0 | 110.5 | N109 | D107-N109 PolarHBondContact O-N 2.83Š|
| 108 | T | 53.9 | Low | 53.4 | Low | 108 Ų | 108 | 125.2 Ų | 125.2 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | | | trans | -81.7 | 73 | 171 | -28 | 0 | 0 | 0 | 0 | 108.4 | N106 S110 | N106-T108 VanDerWaalsContact C-N 3.29Å; N106-T108 PolarHBondContact O-N 2.87Å; N106-T108 PolarHBondContact O-OG1 3.16Å; N106-T108 WeakPolarHBondContact OD1-CA 3.18Å; N106-T108 PolarHBondContact OD1-N 2.83Å; N106-T108 PolarHBondContact OD1-OG1 3Å; T108-S110 PolarHBondContact O-N 3.11Å |
| 109 | N | 51.4 | Low | 55.3 | Low | 153 Ų | 153 | 131.4 Ų | 131.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -71.4 | 70.6 | 169 | -160.7 | -5.6 | 0 | 0 | 0 | 108.7 | D107 N111 | D107-N109 PolarHBondContact O-N 2.83Å; N109-N111 PolarHBondContact O-N 3.32Å |
| 110 | S | 54.5 | Low | 57 | Low | 80 Ų | 80 | 135.5 Ų | 135.5 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | | | trans | -83.1 | 94.2 | 175 | 69.5 | 0 | 0 | 0 | 0 | 109 | T108 M112 | T108-S110 PolarHBondContact O-N 3.11Å; S110-M112 VanDerWaalsContact C-N 3.34Å; S110-M112 PolarHBondContact O-N 3.18Å |
| 111 | N | 50.1 | Low | 58.5 | Low | 120 Ų | 120 | 138 Ų | 138 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | | | trans | -42.9 | 90.9 | 162.6 | -175.2 | -0 | 0 | 0 | 0 | 111.1 | N109 K113 | N109-N111 PolarHBondContact O-N 3.32Å; N111-K113 PolarHBondContact O-N 2.86Å; N111-K113 WeakPolarHBondContact OD1-CG 3.47Å |
| 112 | M | 61.1 | Low | 60.1 | Low | 173 Ų | 173 | 141.6 Ų | 141.6 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | trans | -72.6 | 80.8 | 168.1 | -72.1 | -170.1 | -155.1 | 0 | 0 | 107.6 | S110 N114 | S110-M112 VanDerWaalsContact C-N 3.34Å; S110-M112 PolarHBondContact O-N 3.18Å; M112-N114 PolarHBondContact O-N 2.91Å; M112-N114 VanDerWaalsContact O-N 3.07Å |
| 113 | K | 62.8 | Low | 61.6 | Low | 166 Ų | 166 | 143.3 Ų | 143.3 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -54.1 | 117.1 | 167.8 | -68.1 | -170.7 | 177.4 | -176.3 | 0 | 108.3 | N111 C115 | N111-K113 PolarHBondContact O-N 2.86Å; N111-K113 WeakPolarHBondContact OD1-CG 3.47Å; K113-C115 PolarHBondContact O-N 3.41Å |
| 114 | N | 56.9 | Low | 62.9 | Low | 164 Ų | 164 | 143.9 Ų | 143.9 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -5.8 | 92 | 164.5 | -65.2 | -33.7 | 0 | 0 | 0 | 114 | M112 A116 | M112-N114 PolarHBondContact O-N 2.91Å; M112-N114 VanDerWaalsContact O-N 3.07Å; N114-A116 VanDerWaalsContact C-N 3.33Å; N114-A116 PolarHBondContact O-N 2.8Å |
| 115 | C | 61.4 | Low | 64.3 | Low | 121 Ų | 121 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -76.5 | 92.2 | 171.1 | -150 | 0 | 0 | 0 | 0 | 106.9 | K113 | K113-C115 PolarHBondContact O-N 3.41Š|
| 116 | A | 70.2 | Confident | 65.3 | Low | 78 Ų | 78 | 147 Ų | 147 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 134.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | N114 T118 | N114-A116 VanDerWaalsContact C-N 3.33Å; N114-A116 PolarHBondContact O-N 2.8Å; A116-T118 PolarHBondContact O-N 2.87Å |
| 117 | P | 67 | Low | 66.4 | Low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 118.4 | -172.4 | 21 | -31.4 | 0 | 0 | 0 | 109.5 | K119 | P117-K119 PolarHBondContact O-N 3.02Å; P117-K119 VanDerWaalsContact O-N 3.15Å |
| 118 | T | 68.2 | Low | 67.3 | Low | 126 Ų | 126 | 139.1 Ų | 139.1 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.3 | 177 | -50.8 | 0 | 0 | 0 | 0 | 107.3 | A116 Q120 | A116-T118 PolarHBondContact O-N 2.87Å; T118-Q120 PolarHBondContact O-N 3.39Å |
| 119 | K | 77.5 | Confident | 67.9 | Low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | | | trans | -52.9 | 109.8 | 175.3 | -68.2 | -176.3 | -178.8 | -179.4 | 0 | 108.3 | P117 R121 | P117-K119 PolarHBondContact O-N 3.02Å; P117-K119 VanDerWaalsContact O-N 3.15Å; K119-R121 PolarHBondContact O-N 3.4Å; K119-R121 VanDerWaalsContact O-N 3.13Å |
| 120 | Q | 80.1 | Confident | 68.5 | Low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | -59 | 118.8 | 178.2 | -175 | 175.9 | -0.8 | 0 | 0 | 107.9 | T118 V122 | T118-Q120 PolarHBondContact O-N 3.39Å; Q120-V122 PolarHBondContact O-N 3.13Å; Q120-V122 VanDerWaalsContact O-N 3.1Å |
| 121 | R | 78.5 | Confident | 69 | Low | 233 Ų | 233 | 143.4 Ų | 143.4 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -64 | 115.4 | 176.8 | -70.1 | 177.2 | 69.4 | 135.2 | -0.5 | 108.3 | K119 R123 | K119-R121 PolarHBondContact O-N 3.4Å; K119-R121 VanDerWaalsContact O-N 3.13Å; R121-R123 PolarHBondContact O-N 2.89Å |
| 122 | V | 79.1 | Confident | 69.6 | Low | 136 Ų | 136 | 140.4 Ų | 140.4 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -64.5 | 125.1 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | Q120 Q124 | Q120-V122 PolarHBondContact O-N 3.13Å; Q120-V122 VanDerWaalsContact O-N 3.1Å; V122-Q124 PolarHBondContact O-N 2.96Å; V122-Q124 VanDerWaalsContact O-N 3.16Å |
| 123 | R | 76.7 | Confident | 69.7 | Low | 238 Ų | 238 | 140.1 Ų | 140.1 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 107.2 | 176.1 | -70.4 | 179.1 | 168.2 | -125.2 | -0.5 | 108.4 | R121 | R121-R123 PolarHBondContact O-N 2.89Š|
| 124 | Q | 80.3 | Confident | 69.6 | Low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 128.3 | 165.6 | -99.8 | 178.6 | -31.2 | 0 | 0 | 108.6 | V122 | V122-Q124 PolarHBondContact O-N 2.96Å; V122-Q124 VanDerWaalsContact O-N 3.16Å |
| 125 | P | 75.9 | Confident | 70.2 | Confident | 96 Ų | 96 | 146.9 Ų | 146.9 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 144.6 | 171 | 26.6 | -32.1 | 0 | 0 | 0 | 109.7 | G127 | P125-G127 PolarHBondContact O-N 3.05Š|
| 126 | P | 71 | Confident | 70.7 | Confident | 136 Ų | 136 | 148.3 Ų | 148.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -61.2 | 132.7 | 170.7 | 25 | -30.7 | 0 | 0 | 0 | 109.3 | | |
| 127 | G | 70.8 | Confident | 70.7 | Confident | 56 Ų | 56 | 152.2 Ų | 152.2 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 97.1 | 39.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P125 F129 | P125-G127 PolarHBondContact O-N 3.05Å; G127-F129 WeakPolarHBondContact O-CD2 3.41Å; G127-F129 PolarHBondContact O-N 3.04Å |
| 128 | G | 66.5 | Low | 70.9 | Confident | 61 Ų | 61 | 153.8 Ų | 153.8 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | | | trans | -48.5 | 92.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S130 | G128-S130 VanDerWaalsContact C-N 3.35Å; G128-S130 PolarHBondContact O-N 3.14Å; G128-S130 VanDerWaalsContact O-N 3.12Å |
| 129 | F | 65.7 | Low | 71.1 | Confident | 202 Ų | 202 | 155.6 Ų | 155.6 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | | | trans | -72.6 | 99 | 157.1 | -64.4 | -78.5 | 0 | 0 | 0 | 105.6 | G127 S131 | G127-F129 WeakPolarHBondContact O-CD2 3.41Å; G127-F129 PolarHBondContact O-N 3.04Å; F129-S131 PolarHBondContact O-N 3.2Å |
| 130 | S | 64.9 | Low | 70.7 | Confident | 99 Ų | 99 | 152.9 Ų | 152.9 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -53.2 | 124.5 | 157.5 | 52.5 | 0 | 0 | 0 | 0 | 106.4 | G128 G132 | G128-S130 VanDerWaalsContact C-N 3.35Å; G128-S130 PolarHBondContact O-N 3.14Å; G128-S130 VanDerWaalsContact O-N 3.12Å; S130-G132 VanDerWaalsContact C-N 3.26Å; S130-G132 PolarHBondContact O-N 3.34Å |
| 131 | S | 64.2 | Low | 70 | Confident | 129 Ų | 129 | 150.7 Ų | 150.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -56 | 93.9 | 169.3 | 52.5 | 0 | 0 | 0 | 0 | 108.4 | F129 | F129-S131 PolarHBondContact O-N 3.2Š|
| 132 | G | 63.9 | Low | 69.4 | Low | 57 Ų | 57 | 144.4 Ų | 144.4 | 59% | 0.588 | 80% | 0.802 | S | S | * | * | | | trans | -171.9 | -2.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S130 | S130-G132 VanDerWaalsContact C-N 3.26Å; S130-G132 PolarHBondContact O-N 3.34Å |
| 133 | L | 62.4 | Low | 68.5 | Low | 167 Ų | 167 | 145.1 Ų | 145.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -135.1 | 91.2 | 173.3 | -70.3 | 165 | 0 | 0 | 0 | 108.3 | | |
| 134 | W | 60.4 | Low | 67.8 | Low | 326 Ų | 326 | 136.6 Ų | 136.6 | 100% | 1.235 | 79% | 0.791 | S | S | * | * | | | trans | -83.2 | 0 | 154.3 | -79.2 | 70.9 | 0 | 0 | 0 | 108.4 | | |