| 1 | M | 75.3 | Confident | 81.4 | Confident | 223 Ų | 223 | 137 Ų | 137 | 100% | 1.099 | 69% | 0.694 | S | S | * | * | | | | 0 | 118.7 | 0 | -82 | 157.3 | 148.4 | 0 | 0 | 107.6 | | |
| 2 | S | 80.5 | Confident | 80.2 | Confident | 57 Ų | 57 | 142.6 Ų | 142.6 | 40% | 0.399 | 71% | 0.71 | S | S | . | * | | | trans | -78.4 | 154.2 | -179.1 | 71.4 | 0 | 0 | 0 | 0 | 110.4 | N4 D5 | S2-N4 PolarHBondContact O-N 3.42Å; S2-D5 PolarHBondContact N-OD2 3.5Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 VanDerWaalsContact OG-CG 3.24Å; S2-D5 PolarHBondContact OG-N 3.15Å; S2-D5 PolarHBondContact OG-OD2 2.75Å |
| 3 | L | 85.4 | Confident | 79.2 | Confident | 139 Ų | 139 | 146.8 Ų | 146.8 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -59.5 | -30.1 | 175.2 | -144.9 | 114.5 | 0 | 0 | 0 | 111.4 | F6 F7 | L3-F6 WeakPolarHBondContact O-CB 3.42Å; L3-F6 PolarHBondContact O-N 3.17Å; L3-F7 HydrophobicContact CD2-CE2 3.94Å; L3-F7 VanDerWaalsContact O-CD2 3.27Å; L3-F7 WeakPolarHBondContact O-CD2 3.39Å |
| 4 | N | 84.4 | Confident | 77.9 | Confident | 133 Ų | 133 | 150.9 Ų | 150.9 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -67.1 | -33.2 | 174.4 | -87.7 | -5.3 | 0 | 0 | 0 | 113.2 | S2 F6 F7 A8 | S2-N4 PolarHBondContact O-N 3.42Å; N4-F6 VanDerWaalsContact C-N 3.26Å; N4-F6 PolarHBondContact O-N 3.34Å; N4-F7 PolarHBondContact O-N 3.22Å; N4-A8 WeakPolarHBondContact O-CB 3.27Å; N4-A8 PolarHBondContact O-N 3.47Å |
| 5 | D | 88.7 | Confident | 76.6 | Confident | 99 Ų | 99 | 148.7 Ų | 148.7 | 53% | 0.529 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -65.5 | -30.7 | 176.2 | -69.1 | -44.2 | 0 | 0 | 0 | 112.1 | S2 F7 | S2-D5 PolarHBondContact N-OD2 3.5Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 VanDerWaalsContact OG-CG 3.24Å; S2-D5 PolarHBondContact OG-N 3.15Å; S2-D5 PolarHBondContact OG-OD2 2.75Å; D5-F7 VanDerWaalsContact C-N 3.34Å; D5-F7 PolarHBondContact O-N 3.48Å |
| 6 | F | 89.1 | Confident | 75.4 | Confident | 166 Ų | 166 | 151.4 Ų | 151.4 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -63 | -40 | 177.5 | -115.6 | -87.7 | 0 | 0 | 0 | 112 | L3 N4 | L3-F6 WeakPolarHBondContact O-CB 3.42Å; L3-F6 PolarHBondContact O-N 3.17Å; N4-F6 VanDerWaalsContact C-N 3.26Å; N4-F6 PolarHBondContact O-N 3.34Å |
| 7 | F | 86 | Confident | 74.7 | Confident | 131 Ų | 131 | 154.2 Ų | 154.2 | 58% | 0.575 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -88.3 | -25.7 | -179.8 | -65.1 | -75.5 | 0 | 0 | 0 | 113.3 | L3 N4 D5 K9 Q10 | L3-F7 HydrophobicContact CD2-CE2 3.94Å; L3-F7 VanDerWaalsContact O-CD2 3.27Å; L3-F7 WeakPolarHBondContact O-CD2 3.39Å; N4-F7 PolarHBondContact O-N 3.22Å; D5-F7 VanDerWaalsContact C-N 3.34Å; D5-F7 PolarHBondContact O-N 3.48Å; F7-K9 PolarHBondContact O-N 3.18Å; F7-Q10 PolarHBondContact O-N 3.28Å |
| 8 | A | 82 | Confident | 74.3 | Confident | 63 Ų | 63 | 156.6 Ų | 156.6 | 52% | 0.521 | 76% | 0.758 | S | S | . | * | H | α-helix | trans | -60.7 | -34.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N4 Q10 N11 | N4-A8 WeakPolarHBondContact O-CB 3.27Å; N4-A8 PolarHBondContact O-N 3.47Å; A8-Q10 PolarHBondContact O-N 3.41Å; A8-N11 PolarHBondContact O-N 3.43Å |
| 9 | K | 78.1 | Confident | 74 | Confident | 193 Ų | 193 | 154.6 Ų | 154.6 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -17.6 | -179.4 | -163 | 169.7 | 164.7 | -177.5 | 0 | 113.7 | F7 | F7-K9 PolarHBondContact O-N 3.18Š|
| 10 | Q | 75.1 | Confident | 74 | Confident | 163 Ų | 163 | 151.6 Ų | 151.6 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -10.8 | 178.5 | -79.2 | -73.1 | -1.3 | 0 | 0 | 114.4 | F7 A8 K12 | F7-Q10 PolarHBondContact O-N 3.28Å; A8-Q10 PolarHBondContact O-N 3.41Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.78Å; Q10-K12 VanDerWaalsContact O-N 3.15Å |
| 11 | N | 70.7 | Confident | 74.3 | Confident | 140 Ų | 140 | 148.7 Ų | 148.7 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | | | trans | -89.5 | 33.7 | -171.8 | -94.8 | -29 | 0 | 0 | 0 | 115.8 | A8 | A8-N11 PolarHBondContact O-N 3.43Š|
| 12 | K | 67.4 | Low | 74.5 | Confident | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | | | trans | -100.3 | 11.5 | 177.8 | -97.2 | -170.7 | 175.4 | -178.9 | 0 | 116 | Q10 | Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.78Å; Q10-K12 VanDerWaalsContact O-N 3.15Å |
| 13 | K | 67.1 | Low | 74.5 | Confident | 197 Ų | 197 | 144.9 Ų | 144.9 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -127.4 | 113.1 | 178.4 | -70.8 | -176.3 | 178.6 | 176.5 | 0 | 113 | | |
| 14 | K | 61.1 | Low | 74.3 | Confident | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | | | trans | 58.4 | 109.9 | 155 | -62 | -164.1 | 176.7 | -179.4 | 0 | 117.7 | K16 | K14-K16 PolarHBondContact O-N 3.03Š|
| 15 | S | 58.7 | Low | 74.2 | Confident | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | | | trans | -30.7 | 123.1 | 155.5 | 50.7 | 0 | 0 | 0 | 0 | 114 | K17 | S15-K17 PolarHBondContact O-N 3.36Š|
| 16 | K | 56.7 | Low | 74 | Confident | 193 Ų | 193 | 140.3 Ų | 140.3 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | | | trans | -39.1 | 120.5 | 168.1 | -66.4 | 166.1 | 177 | 168.9 | 0 | 113 | K14 | K14-K16 PolarHBondContact O-N 3.03Š|
| 17 | K | 64.2 | Low | 73.7 | Confident | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.865 | 68% | 0.68 | S | S | * | * | | | trans | -94.3 | 107.9 | 143.1 | -159 | 162.3 | -174.7 | 175.4 | 0 | 105.1 | S15 Q19 | S15-K17 PolarHBondContact O-N 3.36Å; K17-Q19 PolarHBondContact O-N 2.86Å |
| 18 | K | 66.3 | Low | 73.5 | Confident | 196 Ų | 196 | 139.2 Ų | 139.2 | 85% | 0.852 | 69% | 0.688 | S | S | * | * | | | trans | -63.7 | 100.3 | 174.6 | -72.1 | -172 | 176.8 | -177.3 | 0 | 106.8 | | |
| 19 | Q | 70.2 | Confident | 73.3 | Confident | 120 Ų | 120 | 141.2 Ų | 141.2 | 56% | 0.561 | 69% | 0.693 | S | S | * | * | | | trans | -70 | 128.8 | 167.9 | -87.7 | -171.4 | -64.9 | 0 | 0 | 108.3 | K17 L24 | K17-Q19 PolarHBondContact O-N 2.86Å; Q19-L24 HydrophobicContact CB-CD1 4.1Å; Q19-L24 HydrophobicContact CB-CG 4.32Å |
| 20 | N | 73.9 | Confident | 73.1 | Confident | 94 Ų | 94 | 139.6 Ų | 139.6 | 50% | 0.503 | 69% | 0.686 | S | S | . | * | | | trans | -68.7 | 130.9 | 173.7 | -126 | -31.1 | 0 | 0 | 0 | 107.9 | T22 E23 L24 | N20-T22 PolarHBondContact O-N 2.74Å; N20-T22 VanDerWaalsContact O-N 3.13Å; N20-E23 HydrophobicContact CB-CG 4.15Å; N20-E23 PolarHBondContact O-N 2.85Å; N20-E23 VanDerWaalsContact O-N 3.09Å; N20-L24 PolarHBondContact O-N 2.85Å |
| 21 | P | 79.3 | Confident | 71.9 | Confident | 91 Ų | 91 | 133.8 Ų | 133.8 | 59% | 0.591 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -59.6 | -26.2 | -179.4 | 23.1 | -33.3 | 0 | 0 | 0 | 112.8 | M25 | P21-M25 PolarHBondContact O-N 3.21Å; P21-M25 VanDerWaalsContact O-N 3.13Å |
| 22 | T | 80.3 | Confident | 71.2 | Confident | 88 Ų | 88 | 130.8 Ų | 130.8 | 54% | 0.54 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -66.7 | -38.7 | 175.7 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | N20 M25 D26 | N20-T22 PolarHBondContact O-N 2.74Å; N20-T22 VanDerWaalsContact O-N 3.13Å; T22-M25 PolarHBondContact O-N 2.85Å; T22-D26 PolarHBondContact O-N 3.19Å |
| 23 | E | 80.9 | Confident | 70.5 | Confident | 112 Ų | 112 | 129.6 Ų | 129.6 | 52% | 0.523 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -71 | -34.5 | 179 | -67.3 | 178.3 | -173 | 0 | 0 | 111.8 | N20 D26 L27 | N20-E23 HydrophobicContact CB-CG 4.15Å; N20-E23 PolarHBondContact O-N 2.85Å; N20-E23 VanDerWaalsContact O-N 3.09Å; E23-D26 PolarHBondContact O-N 3.03Å; E23-L27 PolarHBondContact O-N 3.22Å |
| 24 | L | 80.4 | Confident | 69.8 | Low | 67 Ų | 67 | 126 Ų | 126 | 35% | 0.351 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.8 | -40 | 173.9 | -76.4 | 171.4 | 0 | 0 | 0 | 111.6 | Q19 N20 L27 L28 | Q19-L24 HydrophobicContact CB-CD1 4.1Å; Q19-L24 HydrophobicContact CB-CG 4.32Å; N20-L24 PolarHBondContact O-N 2.85Å; L24-L27 PolarHBondContact O-N 2.97Å; L24-L28 WeakPolarHBondContact O-CG 3.21Å; L24-L28 PolarHBondContact O-N 3.34Å; L24-L28 VanDerWaalsContact O-N 3.08Å |
| 25 | M | 81.3 | Confident | 69.3 | Low | 122 Ų | 122 | 125 Ų | 125 | 60% | 0.601 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.7 | -40.7 | 173.9 | -108.8 | 57.2 | 171.4 | 0 | 0 | 112.1 | P21 T22 L27 L28 T29 | P21-M25 PolarHBondContact O-N 3.21Å; P21-M25 VanDerWaalsContact O-N 3.13Å; T22-M25 PolarHBondContact O-N 2.85Å; M25-L27 VanDerWaalsContact C-N 3.35Å; M25-L27 PolarHBondContact O-N 3.34Å; M25-L28 PolarHBondContact O-N 2.95Å; M25-T29 WeakPolarHBondContact O-CB 3.44Å; M25-T29 VanDerWaalsContact O-CG2 3.26Å; M25-T29 WeakPolarHBondContact O-CG2 3.43Å; M25-T29 PolarHBondContact O-N 3.48Å; M25-T29 PolarHBondContact O-OG1 3.14Å |
| 26 | D | 84.8 | Confident | 68.9 | Low | 85 Ų | 85 | 128.1 Ų | 128.1 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.9 | -39.4 | 176.1 | -87.6 | 8.1 | 0 | 0 | 0 | 112 | T22 E23 T29 K30 | T22-D26 PolarHBondContact O-N 3.19Å; E23-D26 PolarHBondContact O-N 3.03Å; D26-T29 WeakPolarHBondContact CA-OG1 3.37Å; D26-T29 PolarHBondContact O-OG1 3.17Å; D26-K30 VanDerWaalsContact O-CB 3.3Å; D26-K30 WeakPolarHBondContact O-CB 3.49Å; D26-K30 PolarHBondContact O-N 3.38Å; D26-K30 IonicContact OD2-NZ 3.94Å |
| 27 | L | 83.5 | Confident | 68.3 | Low | 135 Ų | 135 | 123.7 Ų | 123.7 | 71% | 0.707 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 174.9 | -113.4 | 77.1 | 0 | 0 | 0 | 112.4 | E23 L24 M25 | E23-L27 PolarHBondContact O-N 3.22Å; L24-L27 PolarHBondContact O-N 2.97Å; M25-L27 VanDerWaalsContact C-N 3.35Å; M25-L27 PolarHBondContact O-N 3.34Å |
| 28 | L | 81.2 | Confident | 67.4 | Low | 140 Ų | 140 | 125.1 Ų | 125.1 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.6 | -32.6 | 180 | -71.7 | 168.4 | 0 | 0 | 0 | 112.7 | L24 M25 | L24-L28 WeakPolarHBondContact O-CG 3.21Å; L24-L28 PolarHBondContact O-N 3.34Å; L24-L28 VanDerWaalsContact O-N 3.08Å; M25-L28 PolarHBondContact O-N 2.95Å |
| 29 | T | 78.5 | Confident | 66.4 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 64% | 0.638 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -87.7 | -29.1 | -176.8 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | M25 D26 G31 | M25-T29 WeakPolarHBondContact O-CB 3.44Å; M25-T29 VanDerWaalsContact O-CG2 3.26Å; M25-T29 WeakPolarHBondContact O-CG2 3.43Å; M25-T29 PolarHBondContact O-N 3.48Å; M25-T29 PolarHBondContact O-OG1 3.14Å; D26-T29 WeakPolarHBondContact CA-OG1 3.37Å; D26-T29 PolarHBondContact O-OG1 3.17Å; T29-G31 VanDerWaalsContact C-N 3.29Å; T29-G31 PolarHBondContact O-N 3.4Å |
| 30 | K | 73.1 | Confident | 65 | Low | 159 Ų | 159 | 123.3 Ų | 123.3 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -80 | -6.6 | 179.4 | -77 | 176.7 | 177 | 162.7 | 0 | 114.8 | D26 | D26-K30 VanDerWaalsContact O-CB 3.3Å; D26-K30 WeakPolarHBondContact O-CB 3.49Å; D26-K30 PolarHBondContact O-N 3.38Å; D26-K30 IonicContact OD2-NZ 3.94Å |
| 31 | G | 50.2 | Low | 63.6 | Low | 42 Ų | 42 | 124.6 Ų | 124.6 | 43% | 0.433 | 68% | 0.681 | S | S | . | * | | | trans | 75.6 | 119.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T29 E33 | T29-G31 VanDerWaalsContact C-N 3.29Å; T29-G31 PolarHBondContact O-N 3.4Å; G31-E33 PolarHBondContact O-N 3.28Å |
| 32 | G | 55.9 | Low | 61.7 | Low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 69% | 0.692 | S | S | * | * | | | | 52.2 | 22.8 | 121.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | V34 | G32-V34 PolarHBondContact O-N 3.02Š|
| 33 | E | 54.1 | Low | 59.8 | Low | 179 Ų | 179 | 127.5 Ų | 127.5 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | | | trans | -73 | 86.5 | 168.8 | -69.8 | -173.4 | -160 | 0 | 0 | 108.8 | G31 L35 | G31-E33 PolarHBondContact O-N 3.28Å; E33-L35 PolarHBondContact O-N 2.82Å |
| 34 | V | 50.7 | Low | 57.9 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | | | trans | -10.5 | 109.8 | 151.4 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | G32 K36 | G32-V34 PolarHBondContact O-N 3.02Å; V34-K36 PolarHBondContact O-N 2.8Å |
| 35 | L | 51.8 | Low | 56.2 | Low | 181 Ų | 181 | 133.9 Ų | 133.9 | 95% | 0.948 | 74% | 0.74 | S | S | * | * | | | trans | -56.1 | 94.5 | 165.6 | -79.3 | 165.6 | 0 | 0 | 0 | 107.9 | E33 | E33-L35 PolarHBondContact O-N 2.82Š|
| 36 | K | 48.8 | Very low | 54.4 | Low | 184 Ų | 184 | 136.5 Ų | 136.5 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | -87.7 | 114.4 | -178.9 | -166.3 | 157.5 | -178 | 173.5 | 0 | 107.8 | V34 | V34-K36 PolarHBondContact O-N 2.8Š|
| 37 | S | 45.4 | Very low | 52.7 | Low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 50.9 | 104.4 | 153.8 | 61 | 0 | 0 | 0 | 0 | 117.8 | | |
| 38 | Y | 44.7 | Very low | 50.9 | Low | 229 Ų | 229 | 142.2 Ų | 142.2 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | trans | -106.6 | 126.5 | 143.7 | -143 | -91.1 | 0 | 0 | 0 | 107.4 | | |
| 39 | P | 44.7 | Very low | 48.7 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | -82.9 | 139.9 | 179.6 | 32.7 | -30.2 | 0 | 0 | 0 | 111 | | |
| 40 | E | 41.8 | Very low | 47.1 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | 61.4 | 98 | 133.5 | -148.1 | 166.7 | -150.1 | 0 | 0 | 118.1 | | |
| 41 | S | 43.3 | Very low | 45.7 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -149.2 | 124 | 134.7 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 42 | N | 40.6 | Very low | 45.6 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -59 | 132.1 | 175.7 | -75.6 | -72.6 | 0 | 0 | 0 | 112.3 | | |
| 43 | A | 41.1 | Very low | 45.7 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -169.8 | 119.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q45 | A43-Q45 PolarHBondContact O-N 2.82Š|
| 44 | P | 39.3 | Very low | 45.6 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -85.6 | 111.4 | 168.6 | 32.3 | -24.6 | 0 | 0 | 0 | 107.9 | | |
| 45 | Q | 45.6 | Very low | 45.9 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -138.6 | 114.7 | 162.3 | -126.6 | -172.1 | -18.2 | 0 | 0 | 110.3 | A43 N47 | A43-Q45 PolarHBondContact O-N 2.82Å; Q45-N47 PolarHBondContact O-N 2.89Å |
| 46 | E | 43.2 | Very low | 46.4 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -32.7 | 126.4 | 161.3 | -61 | 168.3 | 158.1 | 0 | 0 | 110.9 | | |
| 47 | N | 48.3 | Very low | 47.3 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | 176.8 | 117.8 | 139.8 | -91.6 | -54.2 | 0 | 0 | 0 | 110.6 | Q45 | Q45-N47 PolarHBondContact O-N 2.89Š|
| 48 | K | 45.9 | Very low | 48.7 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | 43.4 | 101.1 | 148.1 | -74.8 | -179.8 | 173 | 176.8 | 0 | 118.3 | | |
| 49 | A | 35.4 | Very low | 49.8 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | | 25.2 | 112 | 123 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 50 | I | 45.5 | Very low | 51 | Low | 155 Ų | 155 | 153.1 Ų | 153.1 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | | | | -170.5 | 98.5 | 126 | -81.6 | 136.1 | 0 | 0 | 0 | 104.9 | S52 | I50-S52 PolarHBondContact O-N 2.85Š|
| 51 | S | 44.2 | Very low | 52.2 | Low | 112 Ų | 112 | 150 Ų | 150 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -80.2 | 89.8 | 167.3 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | E53 | S51-E53 PolarHBondContact O-N 2.91Š|
| 52 | S | 48.1 | Very low | 53.2 | Low | 93 Ų | 93 | 148 Ų | 148 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -98.4 | 56.6 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | I50 | I50-S52 PolarHBondContact O-N 2.85Š|
| 53 | E | 56.8 | Low | 54.2 | Low | 188 Ų | 188 | 148.1 Ų | 148.1 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -143.1 | 23.4 | 177 | -154.8 | 165.2 | -163 | 0 | 0 | 113 | S51 | S51-E53 PolarHBondContact O-N 2.91Š|
| 54 | K | 51.9 | Low | 55.3 | Low | 163 Ų | 163 | 152.1 Ų | 152.1 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | | | trans | -128.3 | 12.7 | 178.9 | -78.6 | -157.3 | 172.1 | 80.1 | 0 | 114.7 | D56 | K54-D56 VanDerWaalsContact C-N 3.29Å; K54-D56 PolarHBondContact O-N 2.88Å |
| 55 | D | 57.8 | Low | 56.7 | Low | 156 Ų | 156 | 152.9 Ų | 152.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 4.7 | -174.7 | -71.7 | -21 | 0 | 0 | 0 | 114.3 | | |
| 56 | D | 62.4 | Low | 57.9 | Low | 163 Ų | 163 | 153 Ų | 153 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 12.9 | -175.3 | -129.1 | 7.6 | 0 | 0 | 0 | 113.5 | K54 | K54-D56 VanDerWaalsContact C-N 3.29Å; K54-D56 PolarHBondContact O-N 2.88Å |
| 57 | E | 68.1 | Low | 59.5 | Low | 153 Ų | 153 | 150.3 Ų | 150.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -106.2 | 96.5 | 168.3 | -158.3 | 161.2 | -151.2 | 0 | 0 | 105.4 | E59 | E57-E59 PolarHBondContact O-N 2.92Š|
| 58 | W | 73.5 | Confident | 60.9 | Low | 239 Ų | 239 | 147.2 Ų | 147.2 | 91% | 0.905 | 74% | 0.74 | S | S | * | * | | | trans | -43.1 | 108.5 | 168.1 | -78.7 | 90.5 | 0 | 0 | 0 | 107.3 | I60 | W58-I60 PolarHBondContact O-N 3.45Š|
| 59 | E | 69 | Low | 62.4 | Low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | | | trans | -56.8 | 113.2 | 179.3 | -69.3 | -123.9 | 155.2 | 0 | 0 | 106.1 | E57 I61 | E57-E59 PolarHBondContact O-N 2.92Å; E59-I61 VanDerWaalsContact C-N 3.26Å; E59-I61 PolarHBondContact O-N 3.24Å |
| 60 | I | 70.4 | Confident | 64.5 | Low | 154 Ų | 154 | 148 Ų | 148 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | trans | -60.8 | 104 | 169.2 | -62.2 | 160 | 0 | 0 | 0 | 102.9 | W58 D62 | W58-I60 PolarHBondContact O-N 3.45Å; I60-D62 PolarHBondContact O-N 3.46Å |
| 61 | I | 66.2 | Low | 66 | Low | 113 Ų | 113 | 146.6 Ų | 146.6 | 58% | 0.579 | 73% | 0.729 | S | S | * | * | | | trans | -53.3 | 113.7 | 172.5 | -64.4 | 172.2 | 0 | 0 | 0 | 104.2 | E59 D63 I67 | E59-I61 VanDerWaalsContact C-N 3.26Å; E59-I61 PolarHBondContact O-N 3.24Å; I61-D63 VanDerWaalsContact C-N 3.34Å; I61-D63 PolarHBondContact O-N 3.1Å; I61-I67 HydrophobicContact CG2-CD1 4.36Å |
| 62 | D | 63.6 | Low | 67.7 | Low | 78 Ų | 78 | 146.6 Ų | 146.6 | 42% | 0.417 | 72% | 0.719 | S | S | . | * | | | trans | -57.6 | 100.4 | 177.2 | -161.3 | 6.4 | 0 | 0 | 0 | 106.2 | I60 E64 K65 | I60-D62 PolarHBondContact O-N 3.46Å; D62-E64 PolarHBondContact O-N 3.12Å; D62-K65 HydrophobicContact CB-CD 4.28Å; D62-K65 HydrophobicContact CB-CG 4.35Å; D62-K65 PolarHBondContact O-N 3.13Å; D62-K65 IonicContact OD2-NZ 3.91Å |
| 63 | D | 62.6 | Low | 69.4 | Low | 155 Ų | 155 | 151.7 Ų | 151.7 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -13.9 | -175.5 | -70.2 | -33.9 | 0 | 0 | 0 | 111.6 | I61 | I61-D63 VanDerWaalsContact C-N 3.34Å; I61-D63 PolarHBondContact O-N 3.1Å |
| 64 | E | 64.6 | Low | 70.5 | Confident | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -14.8 | 174 | -66.9 | -174.5 | 173.7 | 0 | 0 | 114.4 | D62 E66 | D62-E64 PolarHBondContact O-N 3.12Å; E64-E66 PolarHBondContact O-N 3.43Å |
| 65 | K | 68 | Low | 71.9 | Confident | 147 Ų | 147 | 148.9 Ų | 148.9 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -87.9 | 91 | 170.4 | -67.3 | 176.9 | -169.3 | 162.2 | 0 | 108.1 | D62 I67 | D62-K65 HydrophobicContact CB-CD 4.28Å; D62-K65 HydrophobicContact CB-CG 4.35Å; D62-K65 PolarHBondContact O-N 3.13Å; D62-K65 IonicContact OD2-NZ 3.91Å; K65-I67 PolarHBondContact O-N 3.42Å |
| 66 | E | 71.2 | Confident | 72.8 | Confident | 185 Ų | 185 | 148.7 Ų | 148.7 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | | | trans | -47.1 | 99.6 | 167.6 | -64.4 | 176.5 | -176.3 | 0 | 0 | 109.3 | E64 D68 | E64-E66 PolarHBondContact O-N 3.43Å; E66-D68 PolarHBondContact O-N 3.09Å |
| 67 | I | 75.2 | Confident | 73.2 | Confident | 118 Ų | 118 | 148.6 Ų | 148.6 | 61% | 0.605 | 71% | 0.712 | S | S | * | * | | | trans | -61.7 | 114.7 | 173.2 | -59.9 | 173.6 | 0 | 0 | 0 | 105.3 | I61 K65 L69 | I61-I67 HydrophobicContact CG2-CD1 4.36Å; K65-I67 PolarHBondContact O-N 3.42Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 HydrophobicContact CG2-CD2 4.15Å; I67-L69 WeakPolarHBondContact O-CG 3.3Å; I67-L69 PolarHBondContact O-N 3.03Å |
| 68 | D | 78.3 | Confident | 73 | Confident | 83 Ų | 83 | 146.2 Ų | 146.2 | 44% | 0.444 | 71% | 0.713 | S | S | . | * | | | trans | -67.6 | 90.6 | -177.4 | -176.9 | 8.3 | 0 | 0 | 0 | 110.7 | E66 Q70 N71 | E66-D68 PolarHBondContact O-N 3.09Å; D68-Q70 PolarHBondContact O-N 3Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.35Å; D68-Q70 WeakPolarHBondContact OD1-CG 3.26Å; D68-Q70 PolarHBondContact OD1-N 3.39Å; D68-N71 PolarHBondContact OD2-ND2 3.39Å |
| 69 | L | 78.7 | Confident | 72.2 | Confident | 122 Ų | 122 | 139.8 Ų | 139.8 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -74.5 | -8.4 | 176.8 | -59 | 178.3 | 0 | 0 | 0 | 112.2 | I67 N71 I72 | I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 HydrophobicContact CG2-CD2 4.15Å; I67-L69 WeakPolarHBondContact O-CG 3.3Å; I67-L69 PolarHBondContact O-N 3.03Å; L69-N71 PolarHBondContact O-N 3.13Å; L69-I72 HydrophobicContact CD2-CD1 3.74Å; L69-I72 PolarHBondContact O-N 3.4Å; L69-I72 VanDerWaalsContact O-N 3.14Å |
| 70 | Q | 78.5 | Confident | 71.2 | Confident | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -68.7 | -21.8 | -179.2 | -55.9 | -171.5 | -9.6 | 0 | 0 | 112.3 | D68 I72 | D68-Q70 PolarHBondContact O-N 3Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.35Å; D68-Q70 WeakPolarHBondContact OD1-CG 3.26Å; D68-Q70 PolarHBondContact OD1-N 3.39Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 PolarHBondContact O-N 2.73Å |
| 71 | N | 78 | Confident | 70.2 | Confident | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -80.8 | -9.4 | 177.3 | -57 | -30.7 | 0 | 0 | 0 | 112.8 | D68 L69 R73 | D68-N71 PolarHBondContact OD2-ND2 3.39Å; L69-N71 PolarHBondContact O-N 3.13Å; N71-R73 PolarHBondContact O-N 3.08Å; N71-R73 VanDerWaalsContact O-N 3.17Å |
| 72 | I | 79.1 | Confident | 69.2 | Low | 112 Ų | 112 | 135.4 Ų | 135.4 | 57% | 0.574 | 70% | 0.696 | S | S | * | * | | | trans | -85.9 | 90.5 | 178 | -54.6 | -179.1 | 0 | 0 | 0 | 108.9 | L69 Q70 V74 | L69-I72 HydrophobicContact CD2-CD1 3.74Å; L69-I72 PolarHBondContact O-N 3.4Å; L69-I72 VanDerWaalsContact O-N 3.14Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 PolarHBondContact O-N 2.73Å; I72-V74 PolarHBondContact O-N 2.89Å; I72-V74 VanDerWaalsContact O-N 3.12Å |
| 73 | R | 82.5 | Confident | 68.5 | Low | 200 Ų | 200 | 137.4 Ų | 137.4 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | trans | -75.6 | 100.9 | 174.9 | -147.8 | 174.7 | -159.8 | -165 | 6.5 | 109.8 | N71 Y75 | N71-R73 PolarHBondContact O-N 3.08Å; N71-R73 VanDerWaalsContact O-N 3.17Å; R73-Y75 HydrophobicContact CG-CE2 4.45Å; R73-Y75 PolarHBondContact O-N 3.49Å; R73-Y75 VanDerWaalsContact O-N 3.1Å |
| 74 | V | 80.9 | Confident | 67.9 | Low | 119 Ų | 119 | 137.4 Ų | 137.4 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | | | trans | -71 | 103.4 | 170.5 | -175.8 | 0 | 0 | 0 | 0 | 108 | I72 N76 | I72-V74 PolarHBondContact O-N 2.89Å; I72-V74 VanDerWaalsContact O-N 3.12Å; V74-N76 PolarHBondContact O-N 3.31Å |
| 75 | Y | 82.4 | Confident | 67.1 | Low | 173 Ų | 173 | 134.2 Ų | 134.2 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | | | trans | -74.9 | 121.5 | 168.1 | -95.1 | -91.2 | 0 | 0 | 0 | 108.8 | R73 L77 | R73-Y75 HydrophobicContact CG-CE2 4.45Å; R73-Y75 PolarHBondContact O-N 3.49Å; R73-Y75 VanDerWaalsContact O-N 3.1Å; Y75-L77 PolarHBondContact O-N 3.45Å |
| 76 | N | 74.9 | Confident | 66.2 | Low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | | | trans | -61.7 | 102.1 | 168.1 | -73.5 | -28.4 | 0 | 0 | 0 | 108.2 | V74 S78 | V74-N76 PolarHBondContact O-N 3.31Å; N76-S78 VanDerWaalsContact C-N 3.28Å; N76-S78 PolarHBondContact O-N 2.98Å |
| 77 | L | 71.1 | Confident | 65.1 | Low | 160 Ų | 160 | 131.8 Ų | 131.8 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | | | trans | -67.6 | 93.9 | 165.3 | -80.4 | 150.3 | 0 | 0 | 0 | 106.6 | Y75 S79 | Y75-L77 PolarHBondContact O-N 3.45Å; L77-S79 PolarHBondContact O-N 2.95Å |
| 78 | S | 64 | Low | 63.8 | Low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | | | trans | -66 | 90.1 | 166.7 | 59.4 | 0 | 0 | 0 | 0 | 107.1 | N76 T80 | N76-S78 VanDerWaalsContact C-N 3.28Å; N76-S78 PolarHBondContact O-N 2.98Å; S78-T80 PolarHBondContact O-N 2.92Å |
| 79 | S | 57.6 | Low | 62 | Low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | trans | -60.9 | 95.2 | 160.3 | -50.7 | 0 | 0 | 0 | 0 | 105.6 | L77 I81 | L77-S79 PolarHBondContact O-N 2.95Å; S79-I81 PolarHBondContact O-N 3.23Å |
| 80 | T | 47.3 | Very low | 60.4 | Low | 115 Ų | 115 | 135.7 Ų | 135.7 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | -61.7 | 93.5 | 159.7 | 48.7 | 0 | 0 | 0 | 0 | 105 | S78 T82 | S78-T80 PolarHBondContact O-N 2.92Å; T80-T82 PolarHBondContact O-N 3.19Å |
| 81 | I | 50.4 | Low | 58.8 | Low | 134 Ų | 134 | 136.1 Ų | 136.1 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | trans | -53.1 | 95.5 | 154.6 | -71.5 | 166.4 | 0 | 0 | 0 | 103.5 | S79 D83 | S79-I81 PolarHBondContact O-N 3.23Å; I81-D83 PolarHBondContact O-N 3.48Å |
| 82 | T | 44.9 | Very low | 57 | Low | 105 Ų | 105 | 136.4 Ų | 136.4 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | | | trans | -63.7 | 93.3 | 160.3 | 35.8 | 0 | 0 | 0 | 0 | 104.9 | T80 D84 | T80-T82 PolarHBondContact O-N 3.19Å; T82-D84 PolarHBondContact O-N 2.7Å |
| 83 | D | 47.8 | Very low | 55.5 | Low | 121 Ų | 121 | 139.6 Ų | 139.6 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | | | trans | -59.4 | 75.9 | 163.2 | -83.1 | -38.5 | 0 | 0 | 0 | 108.7 | I81 S85 | I81-D83 PolarHBondContact O-N 3.48Å; D83-S85 PolarHBondContact O-N 2.64Å |
| 84 | D | 49.6 | Very low | 53.7 | Low | 154 Ų | 154 | 135.9 Ų | 135.9 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 35 | 170.9 | -82.4 | -26.9 | 0 | 0 | 0 | 111.6 | T82 | T82-D84 PolarHBondContact O-N 2.7Š|
| 85 | S | 49.6 | Very low | 51.9 | Low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 18.6 | -176.7 | 74.4 | 0 | 0 | 0 | 0 | 115.3 | D83 | D83-S85 PolarHBondContact O-N 2.64Š|
| 86 | A | 49.2 | Very low | 50.2 | Low | 74 Ų | 74 | 136.1 Ų | 136.1 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | | | trans | -132.6 | 25 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117 | N88 | A86-N88 PolarHBondContact O-ND2 2.84Š|
| 87 | K | 47.9 | Very low | 49 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | | | trans | -125.2 | 75.8 | 168.1 | -147.5 | 166.2 | -171.7 | 170.7 | 0 | 110.7 | | |
| 88 | N | 46.8 | Very low | 47.8 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | | 50.2 | 90.3 | 98.4 | -77 | -50.9 | 0 | 0 | 0 | 113.8 | A86 | A86-N88 PolarHBondContact O-ND2 2.84Š|
| 89 | L | 40.6 | Very low | 46.8 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | | | | 48.2 | 84.6 | 108.6 | -145.5 | 82.6 | 0 | 0 | 0 | 115.2 | | |
| 90 | S | 46 | Very low | 46.2 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | trans | 179 | 127.7 | 136 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 91 | K | 44.5 | Very low | 46 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | | | trans | 56.1 | 99.3 | 138.5 | -69.5 | -179.2 | 178.4 | 173.4 | 0 | 118 | | |
| 92 | T | 40.6 | Very low | 45.9 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | | 57.5 | 113.2 | 98.4 | 49.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 93 | K | 46.7 | Very low | 46.1 | Very low | 179 Ų | 179 | 135 Ų | 135 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | | | | 109.6 | 131.8 | 128.2 | -137.9 | -166.4 | 168.3 | -173.2 | 0 | 117 | | |
| 94 | D | 45.9 | Very low | 46 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | | | trans | 76.4 | 98.9 | 160.7 | -59.5 | -35 | 0 | 0 | 0 | 116 | | |
| 95 | S | 42.1 | Very low | 46.3 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | 81.2 | 119 | 74.3 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 96 | R | 46.7 | Very low | 46.2 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | | | trans | 113.7 | 114.1 | 131.9 | -156.8 | 161.1 | -163.4 | -143.7 | -24.1 | 117.6 | | |
| 97 | E | 50 | Low | 46.5 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | 62.8 | 126.9 | 146.9 | -67 | 149 | -167.7 | 0 | 0 | 117.1 | | |
| 98 | G | 45.1 | Very low | 46.7 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | cis | 121.9 | 138.8 | 40.5 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 99 | D | 42.8 | Very low | 46.6 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 96% | 0.963 | 75% | 0.754 | S | S | * | * | | | trans | 75.1 | 138.1 | 168.8 | -143.7 | 36.6 | 0 | 0 | 0 | 115.5 | | |
| 100 | G | 45.1 | Very low | 46.6 | Very low | 57 Ų | 57 | 139.8 Ų | 139.8 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | | | cis | 167.8 | 134.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 101 | E | 44.4 | Very low | 46.7 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | 58.8 | 123.9 | 144.2 | -157 | 140.4 | -167.5 | 0 | 0 | 123.4 | | |
| 102 | S | 48.6 | Very low | 47.3 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 71.3 | 134.9 | 150.6 | 75.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 103 | V | 47.8 | Very low | 47.5 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | | | | -161.9 | 138.3 | 61.9 | 161 | 0 | 0 | 0 | 0 | 108.6 | E105 | V103-E105 HydrophobicContact CG1-CG 4.06Å; V103-E105 PolarHBondContact O-N 3.34Å |
| 104 | V | 46.3 | Very low | 47.9 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -81.1 | 107.5 | 175.8 | -158.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 105 | E | 54.9 | Low | 48.2 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 64% | 0.64 | 77% | 0.773 | S | S | * | * | | | trans | -126.1 | 106.7 | 169.2 | -86.1 | -171.1 | -152.5 | 0 | 0 | 112.1 | V103 K107 | V103-E105 HydrophobicContact CG1-CG 4.06Å; V103-E105 PolarHBondContact O-N 3.34Å; E105-K107 IonicContact OE2-NZ 2.85Å; E105-K107 PolarHBondContact OE2-NZ 3.14Å |
| 106 | K | 47.8 | Very low | 48.6 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -67.9 | 118.6 | 166.8 | -63.4 | 167.5 | 177.9 | 169.9 | 0 | 109.6 | | |
| 107 | K | 54.8 | Low | 48.7 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | | | trans | -141.7 | 102.9 | 162.8 | -90.1 | 152.4 | -179.5 | 153.7 | 0 | 105 | E105 | E105-K107 IonicContact OE2-NZ 2.85Å; E105-K107 PolarHBondContact OE2-NZ 3.14Å |
| 108 | V | 52.3 | Low | 49.2 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | cis | 63.8 | 49.4 | 48.2 | -155.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 109 | W | 45.8 | Very low | 49.5 | Very low | 224 Ų | 224 | 140.5 Ų | 140.5 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | -143.2 | 109.8 | 161.8 | -68.8 | 85.5 | 0 | 0 | 0 | 111.5 | | |
| 110 | A | 39.5 | Very low | 50.2 | Low | 104 Ų | 104 | 138.9 Ų | 138.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -54.7 | 131 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 111 | A | 49.2 | Very low | 50.8 | Low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -139.9 | 120.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 112 | K | 55.9 | Low | 50.9 | Low | 195 Ų | 195 | 140.9 Ų | 140.9 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -57.5 | 162 | 179.5 | -99.3 | 171.9 | 168.7 | 174.8 | 0 | 113.2 | | |
| 113 | P | 46.1 | Very low | 51.3 | Low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -73.8 | 139.9 | -173.2 | 32.6 | -33.6 | 0 | 0 | 0 | 110.9 | | |
| 114 | V | 54.9 | Low | 51.5 | Low | 145 Ų | 145 | 143.4 Ų | 143.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -106.2 | 127.7 | 170.8 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 115 | E | 51.4 | Low | 52.2 | Low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -71.2 | 150.8 | -176.2 | -174.1 | 174.4 | 171 | 0 | 0 | 113 | | |
| 116 | A | 51.1 | Low | 52.8 | Low | 92 Ų | 92 | 143.6 Ų | 143.6 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -70.5 | 160.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 117 | P | 48.7 | Very low | 53.7 | Low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | | -143.4 | 167.2 | 104.1 | 21.5 | 1.4 | 0 | 0 | 0 | 111.2 | | |
| 118 | E | 61.6 | Low | 54.1 | Low | 180 Ų | 180 | 138.7 Ų | 138.7 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | cis | -165.7 | 170.1 | 16 | -121.1 | 177.2 | -172.7 | 0 | 0 | 107.2 | | |
| 119 | P | 49.7 | Very low | 54.9 | Low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -90.7 | 137.5 | -153.5 | 36.1 | -35.6 | 0 | 0 | 0 | 114 | | |
| 120 | V | 57.9 | Low | 56 | Low | 146 Ų | 146 | 136.4 Ų | 136.4 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -118.9 | 104.2 | 166.7 | -72.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 121 | E | 58.9 | Low | 57.4 | Low | 193 Ų | 193 | 139.4 Ų | 139.4 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | 24.2 | 127.4 | 147.1 | -131.9 | 166.6 | -175.8 | 0 | 0 | 120.9 | | |
| 122 | A | 46.6 | Very low | 58.9 | Low | 92 Ų | 92 | 140.3 Ų | 140.3 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -74.4 | 131.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 123 | V | 55.5 | Low | 60.1 | Low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -115.5 | 108.8 | 152.7 | 179 | 0 | 0 | 0 | 0 | 107.6 | Q125 | V123-Q125 PolarHBondContact O-N 3.44Š|
| 124 | V | 53 | Low | 61.7 | Low | 136 Ų | 136 | 136.6 Ų | 136.6 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -64.5 | 98.9 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 109 | | |
| 125 | Q | 60.2 | Low | 62.8 | Low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 135.6 | 167.1 | -70.6 | -174 | 48.4 | 0 | 0 | 109.2 | V123 | V123-Q125 PolarHBondContact O-N 3.44Š|
| 126 | P | 67 | Low | 63.7 | Low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 147.3 | 179.2 | 27.2 | -33.9 | 0 | 0 | 0 | 110.2 | | |
| 127 | P | 67.4 | Low | 64.8 | Low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -59 | 131.6 | -177.6 | 25 | -33.4 | 0 | 0 | 0 | 109.5 | K129 | P127-K129 PolarHBondContact O-N 3.24Å; P127-K129 VanDerWaalsContact O-N 3.13Å |
| 128 | P | 63.2 | Low | 65.8 | Low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124.6 | 171.3 | 23.9 | -30.7 | 0 | 0 | 0 | 107.3 | | |
| 129 | K | 69.7 | Low | 66.6 | Low | 185 Ų | 185 | 122.7 Ų | 122.7 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 134.5 | 176.2 | -62.2 | 175.2 | -175.8 | 173.2 | 0 | 107.6 | P127 N131 | P127-K129 PolarHBondContact O-N 3.24Å; P127-K129 VanDerWaalsContact O-N 3.13Å; K129-N131 PolarHBondContact O-N 3.26Å; K129-N131 VanDerWaalsContact O-N 3.08Å |
| 130 | P | 67.7 | Low | 67.5 | Low | 114 Ų | 114 | 125.8 Ų | 125.8 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 124.1 | 178.8 | 24.3 | -32.9 | 0 | 0 | 0 | 107.8 | V132 | P130-V132 PolarHBondContact O-N 2.98Š|
| 131 | N | 69.6 | Low | 67.7 | Low | 167 Ų | 167 | 122.6 Ų | 122.6 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | | | trans | -64.1 | 86.6 | 176.5 | -75.7 | -33 | 0 | 0 | 0 | 108.3 | K129 Y133 | K129-N131 PolarHBondContact O-N 3.26Å; K129-N131 VanDerWaalsContact O-N 3.08Å; N131-Y133 PolarHBondContact O-N 3.24Å; N131-Y133 VanDerWaalsContact O-N 3.14Å |
| 132 | V | 80.3 | Confident | 67.2 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | | | trans | -65.4 | 114.2 | 170.9 | 177.2 | 0 | 0 | 0 | 0 | 106.5 | P130 I134 | P130-V132 PolarHBondContact O-N 2.98Å; V132-I134 PolarHBondContact O-N 3.19Å |
| 133 | Y | 82.3 | Confident | 67.5 | Low | 169 Ų | 169 | 114.1 Ų | 114.1 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | | | trans | -63.2 | 111.5 | 174.7 | 176.2 | -100.6 | 0 | 0 | 0 | 109.1 | N131 P135 | N131-Y133 PolarHBondContact O-N 3.24Å; N131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-P135 HydrophobicContact CD1-CG 4.45Å; Y133-P135 HydrophobicContact CE1-CB 4.35Å; Y133-P135 HydrophobicContact CE1-CG 4.2Å; Y133-P135 WeakPolarHBondContact O-CD 3.47Å |
| 134 | I | 79 | Confident | 67.3 | Low | 74 Ų | 74 | 111.9 Ų | 111.9 | 38% | 0.379 | 66% | 0.663 | S | S | . | * | | | trans | -89.8 | 119.8 | 168.8 | -56.8 | 176.9 | 0 | 0 | 0 | 106.9 | V132 L138 R139 | V132-I134 PolarHBondContact O-N 3.19Å; I134-L138 HydrophobicContact CG2-CB 3.61Å; I134-L138 VanDerWaalsContact CG2-O 3.32Å; I134-L138 WeakPolarHBondContact CG2-O 3.5Å; I134-R139 HydrophobicContact CB-CG 3.96Å; I134-R139 HydrophobicContact CG2-CB 4.48Å; I134-R139 HydrophobicContact CG2-CG 3.81Å; I134-R139 VanDerWaalsContact O-CZ 3.25Å; I134-R139 PolarHBondContact O-NE 3.02Å; I134-R139 PolarHBondContact O-NH2 3.2Å |
| 135 | P | 78.7 | Confident | 67.1 | Low | 55 Ų | 55 | 110 Ų | 110 | 36% | 0.357 | 66% | 0.655 | S | S | . | * | | | trans | -52.5 | 142.8 | 174.2 | -26.4 | 34.9 | 0 | 0 | 0 | 111 | Y133 P137 L138 R139 | Y133-P135 HydrophobicContact CD1-CG 4.45Å; Y133-P135 HydrophobicContact CE1-CB 4.35Å; Y133-P135 HydrophobicContact CE1-CG 4.2Å; Y133-P135 WeakPolarHBondContact O-CD 3.47Å; P135-P137 WeakPolarHBondContact O-CD 3.37Å; P135-L138 HydrophobicContact CG-CD1 4.3Å; P135-L138 PolarHBondContact O-N 3.14Å; P135-R139 PolarHBondContact O-N 3.15Å |
| 136 | A | 69.6 | Low | 67 | Low | 34 Ų | 34 | 104.4 Ų | 104.4 | 28% | 0.281 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -44.9 | -38.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L138 S143 | A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.25Å; A136-S143 WeakPolarHBondContact O-CA 3.4Å; A136-S143 WeakPolarHBondContact O-CB 3.48Å; A136-S143 PolarHBondContact O-N 2.95Å |
| 137 | P | 73.7 | Confident | 66.5 | Low | 98 Ų | 98 | 105.5 Ų | 105.5 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -66.7 | -24.3 | 176.8 | -17.3 | 30.2 | 0 | 0 | 0 | 114.9 | P135 | P135-P137 WeakPolarHBondContact O-CD 3.37Š|
| 138 | L | 70.5 | Confident | 66.3 | Low | 124 Ų | 124 | 106 Ų | 106 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -104.4 | -0.6 | -169.7 | -63.4 | 177.2 | 0 | 0 | 0 | 113.3 | I134 P135 A136 L140 | I134-L138 HydrophobicContact CG2-CB 3.61Å; I134-L138 VanDerWaalsContact CG2-O 3.32Å; I134-L138 WeakPolarHBondContact CG2-O 3.5Å; P135-L138 HydrophobicContact CG-CD1 4.3Å; P135-L138 PolarHBondContact O-N 3.14Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.25Å; L138-L140 PolarHBondContact O-N 3.28Å |
| 139 | R | 79.1 | Confident | 66.5 | Low | 116 Ų | 116 | 103.9 Ų | 103.9 | 44% | 0.438 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -69.5 | 128.1 | 175.7 | -66.8 | 178.8 | -174 | 147.3 | 4.8 | 109.1 | I134 P135 G141 G142 | I134-R139 HydrophobicContact CB-CG 3.96Å; I134-R139 HydrophobicContact CG2-CB 4.48Å; I134-R139 HydrophobicContact CG2-CG 3.81Å; I134-R139 VanDerWaalsContact O-CZ 3.25Å; I134-R139 PolarHBondContact O-NE 3.02Å; I134-R139 PolarHBondContact O-NH2 3.2Å; P135-R139 PolarHBondContact O-N 3.15Å; R139-G141 PolarHBondContact O-N 3.26Å; R139-G142 PolarHBondContact O-N 3.05Å |
| 140 | L | 67.6 | Low | 66.6 | Low | 182 Ų | 182 | 100.6 Ų | 100.6 | 95% | 0.953 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 100.9 | 166.8 | -81.3 | 103.4 | 0 | 0 | 0 | 107.7 | L138 | L138-L140 PolarHBondContact O-N 3.28Š|
| 141 | G | 61.7 | Low | 67 | Low | 80 Ų | 80 | 103.1 Ų | 103.1 | 83% | 0.825 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140 | -13.9 | -167 | 0 | 0 | 0 | 0 | 0 | 113.2 | R139 | R139-G141 PolarHBondContact O-N 3.26Š|
| 142 | G | 49.7 | Very low | 67.4 | Low | 50 Ų | 50 | 99.7 Ų | 99.7 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | | | trans | 73.3 | 128.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | R139 G144 | R139-G142 PolarHBondContact O-N 3.05Å; G142-G144 PolarHBondContact O-N 3.18Å |
| 143 | S | 52.2 | Low | 67.4 | Low | 57 Ų | 57 | 98.1 Ų | 98.1 | 40% | 0.399 | 61% | 0.614 | S | S | . | * | | | trans | -42.4 | 139.8 | 158.3 | -178.7 | 0 | 0 | 0 | 0 | 109 | A136 C145 | A136-S143 WeakPolarHBondContact O-CA 3.4Å; A136-S143 WeakPolarHBondContact O-CB 3.48Å; A136-S143 PolarHBondContact O-N 2.95Å; S143-C145 PolarHBondContact O-N 2.83Å |
| 144 | G | 50.5 | Low | 67.4 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 85% | 0.845 | 62% | 0.616 | S | S | * | * | | | trans | -62.5 | 49.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G142 G146 | G142-G144 PolarHBondContact O-N 3.18Å; G144-G146 PolarHBondContact O-N 3.09Å |
| 145 | C | 48.8 | Very low | 67.6 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | | | trans | -67.3 | 83.9 | 153.6 | -82.2 | 0 | 0 | 0 | 0 | 107.1 | S143 | S143-C145 PolarHBondContact O-N 2.83Š|
| 146 | G | 59.4 | Low | 67.7 | Low | 49 Ų | 49 | 96.5 Ų | 96.5 | 51% | 0.505 | 63% | 0.625 | S | S | . | * | | | trans | -47.3 | 161.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G144 V148 | G144-G146 PolarHBondContact O-N 3.09Å; G146-V148 PolarHBondContact O-N 2.91Å |
| 147 | P | 56.1 | Low | 68.3 | Low | 132 Ų | 132 | 99.5 Ų | 99.5 | 86% | 0.857 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -40.8 | 115.6 | -167.5 | 19.9 | -33.7 | 0 | 0 | 0 | 109.7 | A149 | P147-A149 PolarHBondContact O-N 2.79Š|
| 148 | V | 62.5 | Low | 68.7 | Low | 121 Ų | 121 | 102.6 Ų | 102.6 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | | | trans | -44.1 | 113.4 | -176.7 | -164.1 | 0 | 0 | 0 | 0 | 105.9 | G146 | G146-V148 PolarHBondContact O-N 2.91Š|
| 149 | A | 67 | Low | 69.4 | Low | 80 Ų | 80 | 101.6 Ų | 101.6 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | | | trans | -49.6 | 126.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | P147 K151 | P147-A149 PolarHBondContact O-N 2.79Å; A149-K151 PolarHBondContact O-N 2.87Å |
| 150 | P | 73.4 | Confident | 69.8 | Low | 117 Ų | 117 | 100.5 Ų | 100.5 | 76% | 0.76 | 65% | 0.646 | S | S | * | * | | | trans | -51.2 | 134.6 | -177.1 | 19.3 | -30.2 | 0 | 0 | 0 | 107.4 | P152 | P150-P152 VanDerWaalsContact O-N 3.12Š|
| 151 | K | 74.8 | Confident | 70.6 | Confident | 167 Ų | 167 | 96.9 Ų | 96.9 | 73% | 0.726 | 63% | 0.633 | S | S | * | * | | | trans | -45.2 | 127.9 | -179.6 | -71.2 | 175.9 | -178.6 | 172.2 | 0 | 107.3 | A149 N153 | A149-K151 PolarHBondContact O-N 2.87Å; K151-N153 PolarHBondContact O-N 2.84Å; K151-N153 VanDerWaalsContact O-N 3.13Å |
| 152 | P | 78.1 | Confident | 71.6 | Confident | 94 Ų | 94 | 97 Ų | 97 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | | | trans | -56.1 | 127 | -175.9 | 25.7 | -35.2 | 0 | 0 | 0 | 107.9 | P150 V154 F160 | P150-P152 VanDerWaalsContact O-N 3.12Å; P152-V154 PolarHBondContact O-N 3.28Å; P152-F160 HydrophobicContact CB-CE2 3.83Å; P152-F160 HydrophobicContact CB-CZ 3.84Å; P152-F160 HydrophobicContact CG-CZ 4.35Å |
| 153 | N | 81.9 | Confident | 72.8 | Confident | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.444 | 63% | 0.63 | S | S | . | * | | | trans | -76.6 | 99.2 | -171 | -176.6 | 7 | 0 | 0 | 0 | 109.6 | K151 T155 S156 F160 | K151-N153 PolarHBondContact O-N 2.84Å; K151-N153 VanDerWaalsContact O-N 3.13Å; N153-T155 PolarHBondContact ND2-OG1 2.99Å; N153-T155 PolarHBondContact O-N 3.35Å; N153-T155 PolarHBondContact OD1-N 2.89Å; N153-T155 VanDerWaalsContact OD1-N 3.09Å; N153-T155 PolarHBondContact OD1-OG1 3.31Å; N153-S156 WeakPolarHBondContact O-CB 3.41Å; N153-S156 PolarHBondContact O-N 3.41Å; N153-F160 VanDerWaalsContact O-CD2 3.31Å; N153-F160 WeakPolarHBondContact O-CD2 3.32Å |
| 154 | V | 82.1 | Confident | 74.1 | Confident | 116 Ų | 116 | 104.1 Ų | 104.1 | 70% | 0.703 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -10.1 | 179.3 | -62.1 | 0 | 0 | 0 | 0 | 114.3 | P152 F160 | P152-V154 PolarHBondContact O-N 3.28Å; V154-F160 HydrophobicContact CG1-CE2 4.36Å |
| 155 | T | 82.6 | Confident | 74.8 | Confident | 119 Ų | 119 | 103.1 Ų | 103.1 | 73% | 0.73 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -8.4 | 174.4 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | N153 S157 | N153-T155 PolarHBondContact ND2-OG1 2.99Å; N153-T155 PolarHBondContact O-N 3.35Å; N153-T155 PolarHBondContact OD1-N 2.89Å; N153-T155 VanDerWaalsContact OD1-N 3.09Å; N153-T155 PolarHBondContact OD1-OG1 3.31Å; T155-S157 PolarHBondContact O-N 2.81Å |
| 156 | S | 81.1 | Confident | 75.4 | Confident | 29 Ų | 29 | 103 Ų | 103 | 20% | 0.203 | 62% | 0.623 | C | S | . | * | | | trans | -77.7 | 112.9 | 178.7 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | N153 M158 D159 F160 | N153-S156 WeakPolarHBondContact O-CB 3.41Å; N153-S156 PolarHBondContact O-N 3.41Å; S156-M158 PolarHBondContact O-N 3.04Å; S156-D159 VanDerWaalsContact CB-OD2 3.22Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact O-N 3.29Å; S156-D159 PolarHBondContact OG-N 3.13Å; S156-D159 PolarHBondContact OG-OD2 3.01Å; S156-F160 PolarHBondContact O-N 3.13Å |
| 157 | S | 82.1 | Confident | 75.7 | Confident | 97 Ų | 97 | 106.2 Ų | 106.2 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -19.3 | 175.5 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | T155 | T155-S157 PolarHBondContact O-N 2.81Š|
| 158 | M | 82.6 | Confident | 76 | Confident | 164 Ų | 164 | 105.7 Ų | 105.7 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -40.2 | 176.1 | -169.3 | 68.2 | -170.8 | 0 | 0 | 111.9 | S156 | S156-M158 PolarHBondContact O-N 3.04Š|
| 159 | D | 84.3 | Confident | 75.8 | Confident | 103 Ų | 103 | 107.6 Ų | 107.6 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -32.1 | -177.6 | -58.4 | -52 | 0 | 0 | 0 | 112.2 | S156 | S156-D159 VanDerWaalsContact CB-OD2 3.22Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact O-N 3.29Å; S156-D159 PolarHBondContact OG-N 3.13Å; S156-D159 PolarHBondContact OG-OD2 3.01Å |
| 160 | F | 86.7 | Confident | 75.2 | Confident | 92 Ų | 92 | 109 Ų | 109 | 40% | 0.404 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -132.1 | 85 | 177.4 | -63.5 | -85.9 | 0 | 0 | 0 | 109.8 | P152 N153 V154 S156 T162 | P152-F160 HydrophobicContact CB-CE2 3.83Å; P152-F160 HydrophobicContact CB-CZ 3.84Å; P152-F160 HydrophobicContact CG-CZ 4.35Å; N153-F160 VanDerWaalsContact O-CD2 3.31Å; N153-F160 WeakPolarHBondContact O-CD2 3.32Å; V154-F160 HydrophobicContact CG1-CE2 4.36Å; S156-F160 PolarHBondContact O-N 3.13Å; F160-T162 PolarHBondContact O-N 3.14Å; F160-T162 VanDerWaalsContact O-N 3.11Å |
| 161 | P | 84.9 | Confident | 74.1 | Confident | 106 Ų | 106 | 112.2 Ų | 112.2 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | | | trans | -60 | 117.8 | 174.6 | 24 | -32.9 | 0 | 0 | 0 | 110.2 | | |
| 162 | T | 82.2 | Confident | 72.9 | Confident | 83 Ų | 83 | 113.7 Ų | 113.7 | 51% | 0.509 | 64% | 0.637 | S | S | . | * | | | trans | -68.4 | 134 | 177.2 | -47.9 | 0 | 0 | 0 | 0 | 110.1 | F160 D164 A165 | F160-T162 PolarHBondContact O-N 3.14Å; F160-T162 VanDerWaalsContact O-N 3.11Å; T162-D164 HydrophobicContact CG2-CB 4.23Å; T162-D164 PolarHBondContact O-N 2.97Å; T162-D164 VanDerWaalsContact O-N 3.14Å; T162-A165 WeakPolarHBondContact O-CB 3.38Å; T162-A165 PolarHBondContact O-N 2.75Å |
| 163 | L | 76.7 | Confident | 71.4 | Confident | 147 Ų | 147 | 119 Ų | 119 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -53.5 | -35.8 | 178.5 | -76.9 | 166.3 | 0 | 0 | 0 | 112.8 | A165 S166 | L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 3.08Å; L163-S166 PolarHBondContact O-N 3.27Å; L163-S166 PolarHBondContact O-OG 3.34Å |
| 164 | D | 77.9 | Confident | 69.8 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 58% | 0.583 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67.3 | -24.2 | -179.7 | -59.2 | -29.6 | 0 | 0 | 0 | 113.9 | T162 S166 V167 N168 | T162-D164 HydrophobicContact CG2-CB 4.23Å; T162-D164 PolarHBondContact O-N 2.97Å; T162-D164 VanDerWaalsContact O-N 3.14Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 3.32Å; D164-V167 PolarHBondContact O-N 3.32Å; D164-N168 PolarHBondContact O-N 3.41Å; D164-N168 VanDerWaalsContact O-N 3.12Å; D164-N168 PolarHBondContact O-ND2 3.23Å; D164-N168 VanDerWaalsContact O-ND2 3.17Å |
| 165 | A | 65.9 | Low | 67.9 | Low | 62 Ų | 62 | 124.3 Ų | 124.3 | 51% | 0.512 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -71.2 | -25.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T162 L163 V167 E169 | T162-A165 WeakPolarHBondContact O-CB 3.38Å; T162-A165 PolarHBondContact O-N 2.75Å; L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 3.08Å; A165-V167 VanDerWaalsContact C-N 3.31Å; A165-E169 PolarHBondContact O-N 3.17Å |
| 166 | S | 61.4 | Low | 65.8 | Low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.9 | -21.6 | 175 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | L163 D164 | L163-S166 PolarHBondContact O-N 3.27Å; L163-S166 PolarHBondContact O-OG 3.34Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 3.32Å |
| 167 | V | 66.7 | Low | 63.9 | Low | 115 Ų | 115 | 130.1 Ų | 130.1 | 70% | 0.697 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -94.6 | -28.1 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | D164 A165 | D164-V167 PolarHBondContact O-N 3.32Å; A165-V167 VanDerWaalsContact C-N 3.31Å |
| 168 | N | 62.1 | Low | 61.8 | Low | 122 Ų | 122 | 129.1 Ų | 129.1 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -104.8 | 16.6 | -176.8 | -68.7 | -53.7 | 0 | 0 | 0 | 114.4 | D164 P170 | D164-N168 PolarHBondContact O-N 3.41Å; D164-N168 VanDerWaalsContact O-N 3.12Å; D164-N168 PolarHBondContact O-ND2 3.23Å; D164-N168 VanDerWaalsContact O-ND2 3.17Å; N168-P170 WeakPolarHBondContact O-CD 3.49Å |
| 169 | E | 58.3 | Low | 60 | Low | 161 Ų | 161 | 129 Ų | 129 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | | | trans | -73.8 | 103.8 | 167 | -159.5 | 173.1 | -158.3 | 0 | 0 | 107.6 | A165 Q171 | A165-E169 PolarHBondContact O-N 3.17Å; E169-Q171 PolarHBondContact O-N 3.5Å |
| 170 | P | 54.5 | Low | 58.2 | Low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | | | trans | -61.8 | 119.4 | 168.8 | 28.7 | -33.1 | 0 | 0 | 0 | 105.1 | N168 K172 | N168-P170 WeakPolarHBondContact O-CD 3.49Å; P170-K172 PolarHBondContact O-N 3.01Å |
| 171 | Q | 50.1 | Low | 56.5 | Low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | | | trans | -44.4 | 112.7 | 165.7 | -64.5 | -151 | -65.7 | 0 | 0 | 106.9 | E169 K173 | E169-Q171 PolarHBondContact O-N 3.5Å; Q171-K173 PolarHBondContact O-N 2.99Å |
| 172 | K | 49.7 | Very low | 55 | Low | 197 Ų | 197 | 136.2 Ų | 136.2 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | | | trans | -52.2 | 101.3 | 169.2 | -108.3 | 178.8 | 173.7 | 177.6 | 0 | 105.2 | P170 E174 | P170-K172 PolarHBondContact O-N 3.01Å; K172-E174 PolarHBondContact O-N 2.87Å |
| 173 | K | 45.6 | Very low | 53.9 | Low | 205 Ų | 205 | 139.7 Ų | 139.7 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | | | trans | -62.4 | 87.1 | 155.5 | -96.7 | -179.4 | 171.4 | 176.8 | 0 | 104.7 | Q171 T175 | Q171-K173 PolarHBondContact O-N 2.99Å; K173-T175 PolarHBondContact O-N 2.79Å |
| 174 | E | 48.1 | Very low | 53.1 | Low | 175 Ų | 175 | 141.8 Ų | 141.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -64.1 | 119 | 156.2 | -118 | 170.9 | 176 | 0 | 0 | 106.4 | K172 E176 | K172-E174 PolarHBondContact O-N 2.87Å; E174-E176 PolarHBondContact O-N 3.12Å; E174-E176 VanDerWaalsContact O-N 3.17Å |
| 175 | T | 42.9 | Very low | 52.2 | Low | 137 Ų | 137 | 143.9 Ų | 143.9 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -60.4 | 110.5 | 174.9 | -51.9 | 0 | 0 | 0 | 0 | 108.8 | K173 | K173-T175 PolarHBondContact O-N 2.79Š|
| 176 | E | 37.7 | Very low | 52.1 | Low | 153 Ų | 153 | 146.2 Ų | 146.2 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | -33 | 142 | 156.3 | -83.4 | -92.7 | 156.7 | 0 | 0 | 112.3 | E174 S178 | E174-E176 PolarHBondContact O-N 3.12Å; E174-E176 VanDerWaalsContact O-N 3.17Å; E176-S178 PolarHBondContact OE2-N 3.32Å |
| 177 | P | 42.6 | Very low | 51.8 | Low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | | -134.8 | 129.1 | 87.7 | 35.3 | -22.6 | 0 | 0 | 0 | 114.5 | | |
| 178 | S | 36.6 | Very low | 51.8 | Low | 76 Ų | 76 | 151.2 Ų | 151.2 | 53% | 0.531 | 77% | 0.773 | S | S | . | * | | | trans | 59.7 | 99.1 | 136 | 69.6 | 0 | 0 | 0 | 0 | 116.5 | E176 | E176-S178 PolarHBondContact OE2-N 3.32Š|
| 179 | N | 46.2 | Very low | 51.6 | Low | 161 Ų | 161 | 152.9 Ų | 152.9 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | -145.9 | 104.5 | 132.3 | -100.1 | -41.3 | 0 | 0 | 0 | 108.6 | N181 | N179-N181 PolarHBondContact O-N 3.17Š|
| 180 | D | 44.8 | Very low | 51.5 | Low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -52.3 | 115.4 | 168.5 | -61.9 | -56.5 | 0 | 0 | 0 | 109.9 | | |
| 181 | N | 53 | Low | 51.4 | Low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | -151.5 | 102.6 | 147.4 | -81.5 | -64.2 | 0 | 0 | 0 | 107.3 | N179 D183 | N179-N181 PolarHBondContact O-N 3.17Å; N181-D183 PolarHBondContact O-N 3.47Å |
| 182 | D | 52.6 | Low | 51.6 | Low | 153 Ų | 153 | 146.1 Ų | 146.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -51.5 | 118.4 | 165.2 | -70.2 | -64.5 | 0 | 0 | 0 | 110.6 | | |
| 183 | D | 59.7 | Low | 51.9 | Low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -149.8 | 85.4 | 154.5 | -101.9 | -32 | 0 | 0 | 0 | 110.4 | N181 N185 | N181-D183 PolarHBondContact O-N 3.47Å; D183-N185 PolarHBondContact O-N 2.8Å |
| 184 | K | 58.5 | Low | 52 | Low | 190 Ų | 190 | 143.4 Ų | 143.4 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | trans | -72.7 | 100.4 | 162.4 | -62.6 | -144.3 | -177.7 | -174 | 0 | 108.4 | | |
| 185 | N | 59.6 | Low | 52.1 | Low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 158.1 | 87.3 | 147.1 | -87.8 | -47.8 | 0 | 0 | 0 | 110 | D183 | D183-N185 PolarHBondContact O-N 2.8Š|
| 186 | V | 63.9 | Low | 52.6 | Low | 112 Ų | 112 | 144.7 Ų | 144.7 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | -128.7 | 100.1 | 161.1 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 187 | P | 55.8 | Low | 53.2 | Low | 80 Ų | 80 | 144.6 Ų | 144.6 | 52% | 0.519 | 77% | 0.769 | S | S | . | * | | | trans | -82.2 | 115.4 | 177.8 | 30.5 | -28.6 | 0 | 0 | 0 | 110.2 | Q189 | P187-Q189 PolarHBondContact O-N 3.19Š|
| 188 | W | 65.5 | Low | 53.7 | Low | 233 Ų | 233 | 144.4 Ų | 144.4 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 34.5 | 12.5 | 154.4 | 64.7 | -78.1 | 0 | 0 | 0 | 122 | | |
| 189 | Q | 58.7 | Low | 54.4 | Low | 157 Ų | 157 | 146.1 Ų | 146.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -102.5 | 8.5 | -175.9 | -67.4 | -169.7 | 9.6 | 0 | 0 | 114.4 | P187 A191 | P187-Q189 PolarHBondContact O-N 3.19Å; Q189-A191 VanDerWaalsContact C-N 3.29Å; Q189-A191 PolarHBondContact O-N 3.34Å |
| 190 | Q | 56.3 | Low | 54.8 | Low | 139 Ų | 139 | 144.8 Ų | 144.8 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | -84.6 | 12 | -176.9 | -162.5 | 154.2 | 1.5 | 0 | 0 | 115.3 | G192 V193 | Q190-G192 PolarHBondContact O-N 3.14Å; Q190-V193 HydrophobicContact CG-CG2 3.92Å |
| 191 | A | 51.9 | Low | 55.4 | Low | 112 Ų | 112 | 142.2 Ų | 142.2 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 10 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q189 | Q189-A191 VanDerWaalsContact C-N 3.29Å; Q189-A191 PolarHBondContact O-N 3.34Å |
| 192 | G | 54.5 | Low | 55.8 | Low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -4.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q190 R194 | Q190-G192 PolarHBondContact O-N 3.14Å; G192-R194 PolarHBondContact O-N 3.03Å |
| 193 | V | 54.7 | Low | 56.4 | Low | 109 Ų | 109 | 139.5 Ų | 139.5 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | trans | -84.6 | 108.4 | -178.2 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | Q190 R195 | Q190-V193 HydrophobicContact CG-CG2 3.92Å; V193-R195 PolarHBondContact O-N 3.46Å |
| 194 | R | 49.4 | Very low | 56.7 | Low | 237 Ų | 237 | 137.5 Ų | 137.5 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 120.6 | -178.2 | -58.7 | -163.1 | 175.2 | -125.6 | 1.2 | 110.6 | G192 | G192-R194 PolarHBondContact O-N 3.03Š|
| 195 | R | 49.4 | Very low | 56.9 | Low | 242 Ų | 242 | 136 Ų | 136 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 134.7 | 157.6 | -74.4 | -173.7 | 178.6 | -129.1 | 1.3 | 107.9 | V193 N197 | V193-R195 PolarHBondContact O-N 3.46Å; R195-N197 PolarHBondContact O-N 2.83Å |
| 196 | A | 54 | Low | 56.8 | Low | 97 Ų | 97 | 132.9 Ų | 132.9 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 124.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P198 | A196-P198 WeakPolarHBondContact O-CD 2.92Š|
| 197 | N | 50.2 | Low | 56.6 | Low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 126.4 | 176.3 | -73.4 | -35.7 | 0 | 0 | 0 | 110.9 | R195 | R195-N197 PolarHBondContact O-N 2.83Š|
| 198 | P | 53 | Low | 56.6 | Low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -83.5 | 134.8 | 145.8 | 32.5 | -24.7 | 0 | 0 | 0 | 108.2 | A196 | A196-P198 WeakPolarHBondContact O-CD 2.92Š|
| 199 | V | 50.2 | Low | 56.4 | Low | 112 Ų | 112 | 130.9 Ų | 130.9 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | | | trans | 84.4 | 86.2 | 166.9 | -147.9 | 0 | 0 | 0 | 0 | 117.2 | S201 | V199-S201 WeakPolarHBondContact CG1-OG 3.38Å; V199-S201 PolarHBondContact O-N 3.06Å |
| 200 | S | 56.3 | Low | 56.4 | Low | 132 Ų | 132 | 126.6 Ų | 126.6 | 92% | 0.923 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 36.8 | 172.1 | -47.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 201 | S | 57.2 | Low | 56.6 | Low | 91 Ų | 91 | 127.6 Ų | 127.6 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 2 | -179.1 | 69 | 0 | 0 | 0 | 0 | 116 | V199 L203 | V199-S201 WeakPolarHBondContact CG1-OG 3.38Å; V199-S201 PolarHBondContact O-N 3.06Å; S201-L203 PolarHBondContact O-N 3.24Å |
| 202 | A | 60.4 | Low | 57.5 | Low | 95 Ų | 95 | 126.6 Ų | 126.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -84.6 | 102.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 203 | L | 64.7 | Low | 58.5 | Low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -58.8 | 142.8 | 169.3 | -66.6 | 174.5 | 0 | 0 | 0 | 109.9 | S201 I205 | S201-L203 PolarHBondContact O-N 3.24Å; L203-I205 PolarHBondContact O-N 3Å |
| 204 | P | 66.9 | Low | 59.8 | Low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -59.1 | 136.7 | 175.8 | 25.8 | -33.5 | 0 | 0 | 0 | 109.9 | A206 | P204-A206 PolarHBondContact O-N 2.79Š|
| 205 | I | 61.9 | Low | 61.3 | Low | 159 Ų | 159 | 122.6 Ų | 122.6 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | | | trans | -58.9 | 102.9 | 168.6 | -62.5 | 166.8 | 0 | 0 | 0 | 106.4 | L203 I207 | L203-I205 PolarHBondContact O-N 3Å; I205-I207 PolarHBondContact O-N 3.46Å |
| 206 | A | 58.7 | Low | 62.9 | Low | 88 Ų | 88 | 113.4 Ų | 113.4 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | | | trans | -66.5 | 108 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | P204 S208 | P204-A206 PolarHBondContact O-N 2.79Å; A206-S208 VanDerWaalsContact C-N 3.27Å; A206-S208 PolarHBondContact O-N 2.79Å |
| 207 | I | 58.6 | Low | 64 | Low | 154 Ų | 154 | 113.2 Ų | 113.2 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | | | trans | -74 | 88.2 | 167.5 | -55.7 | 169.9 | 0 | 0 | 0 | 105.5 | I205 T209 | I205-I207 PolarHBondContact O-N 3.46Å; I207-T209 PolarHBondContact O-N 2.84Å |
| 208 | S | 55.2 | Low | 65.3 | Low | 82 Ų | 82 | 111.3 Ų | 111.3 | 57% | 0.573 | 70% | 0.703 | S | S | * | * | | | trans | -75.4 | 121.2 | 168.9 | 53.2 | 0 | 0 | 0 | 0 | 108.4 | A206 A210 | A206-S208 VanDerWaalsContact C-N 3.27Å; A206-S208 PolarHBondContact O-N 2.79Å; S208-A210 PolarHBondContact O-N 2.74Å |
| 209 | T | 61.4 | Low | 66.2 | Low | 146 Ų | 146 | 111.9 Ų | 111.9 | 90% | 0.896 | 70% | 0.699 | S | S | * | * | | | trans | -77.9 | 14.8 | 173.5 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | I207 | I207-T209 PolarHBondContact O-N 2.84Š|
| 210 | A | 59 | Low | 67.4 | Low | 68 Ų | 68 | 113.2 Ų | 113.2 | 56% | 0.562 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -88.6 | 142.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S208 S212 | S208-A210 PolarHBondContact O-N 2.74Å; A210-S212 PolarHBondContact O-N 2.86Å |
| 211 | T | 61.2 | Low | 67.9 | Low | 159 Ų | 159 | 116.3 Ų | 116.3 | 98% | 0.975 | 69% | 0.692 | S | S | * | * | | | trans | -64.6 | 69.9 | 173 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 212 | S | 71.3 | Confident | 68 | Low | 91 Ų | 91 | 117.3 Ų | 117.3 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | | | trans | -106.1 | 127.7 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 107.6 | A210 Y214 | A210-S212 PolarHBondContact O-N 2.86Å; S212-Y214 PolarHBondContact O-N 3.04Å |
| 213 | A | 75.2 | Confident | 67.5 | Low | 86 Ų | 86 | 116.5 Ų | 116.5 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 121.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V215 | A213-V215 PolarHBondContact O-N 2.83Å; A213-V215 VanDerWaalsContact O-N 3.09Å |
| 214 | Y | 82 | Confident | 66.6 | Low | 178 Ų | 178 | 112.9 Ų | 112.9 | 70% | 0.698 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 116.4 | 175.9 | 171.9 | -98.4 | 0 | 0 | 0 | 109.9 | S212 P216 | S212-Y214 PolarHBondContact O-N 3.04Å; Y214-P216 HydrophobicContact CE1-CB 4.01Å |
| 215 | V | 81.3 | Confident | 65.9 | Low | 61 Ų | 61 | 114 Ų | 114 | 37% | 0.37 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -95.5 | 116 | 170.6 | -176 | 0 | 0 | 0 | 0 | 108.1 | A213 L219 R220 | A213-V215 PolarHBondContact O-N 2.83Å; A213-V215 VanDerWaalsContact O-N 3.09Å; V215-L219 HydrophobicContact CG1-CB 3.75Å; V215-R220 HydrophobicContact CG1-CG 4.12Å; V215-R220 PolarHBondContact O-NE 3.4Å; V215-R220 VanDerWaalsContact O-NE 3.13Å; V215-R220 PolarHBondContact O-NH2 3.39Å |
| 216 | P | 81.3 | Confident | 65.4 | Low | 48 Ų | 48 | 109.9 Ų | 109.9 | 31% | 0.312 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 147.8 | 179.3 | 24.3 | -31.4 | 0 | 0 | 0 | 109.9 | Y214 S218 L219 R220 | Y214-P216 HydrophobicContact CE1-CB 4.01Å; P216-S218 PolarHBondContact O-N 3.23Å; P216-L219 HydrophobicContact CG-CB 4.12Å; P216-L219 PolarHBondContact O-N 2.64Å; P216-R220 PolarHBondContact O-N 2.97Å |
| 217 | P | 77.1 | Confident | 64.7 | Low | 94 Ų | 94 | 114.4 Ų | 114.4 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -51.2 | -32.2 | -176.4 | -29.2 | 34.9 | 0 | 0 | 0 | 114.6 | L219 R220 | P217-L219 PolarHBondContact O-N 2.92Å; P217-R220 PolarHBondContact O-N 3.48Å |
| 218 | S | 78.1 | Confident | 64.2 | Low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -65.1 | -22.4 | 176.9 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | P216 | P216-S218 PolarHBondContact O-N 3.23Š|
| 219 | L | 72 | Confident | 63.6 | Low | 124 Ų | 124 | 117.3 Ų | 117.3 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -107.3 | 1.7 | -176.4 | -136.4 | 79.7 | 0 | 0 | 0 | 112.6 | V215 P216 P217 Q221 | V215-L219 HydrophobicContact CG1-CB 3.75Å; P216-L219 HydrophobicContact CG-CB 4.12Å; P216-L219 PolarHBondContact O-N 2.64Å; P217-L219 PolarHBondContact O-N 2.92Å; L219-Q221 PolarHBondContact O-N 3.11Å |
| 220 | R | 75.6 | Confident | 63.1 | Low | 140 Ų | 140 | 118.7 Ų | 118.7 | 53% | 0.528 | 70% | 0.704 | S | S | . | * | | | trans | -73.7 | 108 | 177.2 | -67.3 | -177.7 | -178.9 | -127.7 | -3 | 109.1 | V215 P216 P217 T222 | V215-R220 HydrophobicContact CG1-CG 4.12Å; V215-R220 PolarHBondContact O-NE 3.4Å; V215-R220 VanDerWaalsContact O-NE 3.13Å; V215-R220 PolarHBondContact O-NH2 3.39Å; P216-R220 PolarHBondContact O-N 2.97Å; P217-R220 PolarHBondContact O-N 3.48Å; R220-T222 PolarHBondContact O-N 3.22Å |
| 221 | Q | 66.7 | Low | 62.4 | Low | 198 Ų | 198 | 118 Ų | 118 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | | | trans | -70.7 | 66.4 | 167.7 | -64.7 | -175 | 2.2 | 0 | 0 | 109.8 | L219 | L219-Q221 PolarHBondContact O-N 3.11Š|
| 222 | T | 59.9 | Low | 61.7 | Low | 112 Ų | 112 | 116.2 Ų | 116.2 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | | | trans | -134 | 117.5 | 172.9 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | R220 A224 | R220-T222 PolarHBondContact O-N 3.22Å; T222-A224 PolarHBondContact O-N 2.92Å |
| 223 | G | 49.1 | Very low | 60.4 | Low | 77 Ų | 77 | 114.1 Ų | 114.1 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | | | trans | -44.8 | 130.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 224 | A | 45.6 | Very low | 59 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | | | trans | -52.4 | 127.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | T222 G226 | T222-A224 PolarHBondContact O-N 2.92Å; A224-G226 VanDerWaalsContact C-N 3.26Å; A224-G226 PolarHBondContact O-N 2.9Å |
| 225 | P | 52.5 | Low | 57.4 | Low | 137 Ų | 137 | 118.6 Ų | 118.6 | 89% | 0.89 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 86.8 | 170 | 31.3 | -31 | 0 | 0 | 0 | 107.1 | | |
| 226 | G | 51.4 | Low | 55.6 | Low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174 | -15.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | A224 | A224-G226 VanDerWaalsContact C-N 3.26Å; A224-G226 PolarHBondContact O-N 2.9Å |
| 227 | F | 44.7 | Very low | 53.9 | Low | 182 Ų | 182 | 124.7 Ų | 124.7 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | | | trans | -105.7 | 108.1 | 176.5 | -150.3 | -99.1 | 0 | 0 | 0 | 110.2 | S229 | F227-S229 PolarHBondContact O-N 3.36Š|
| 228 | K | 47.5 | Very low | 52.3 | Low | 189 Ų | 189 | 123.3 Ų | 123.3 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -63.4 | 91.3 | 165.8 | -61 | -179.8 | -176.5 | -177.8 | 0 | 107.1 | M230 | K228-M230 PolarHBondContact O-N 3.44Š|
| 229 | S | 43.8 | Very low | 50.7 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | -70.7 | 91.1 | 164.6 | -169 | 0 | 0 | 0 | 0 | 106.7 | F227 G231 | F227-S229 PolarHBondContact O-N 3.36Å; S229-G231 VanDerWaalsContact C-N 3.27Å; S229-G231 PolarHBondContact O-N 2.98Å |
| 230 | M | 50.8 | Low | 49.7 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | | | trans | -67.8 | 95.7 | 162.2 | -67.3 | -74.1 | -92.7 | 0 | 0 | 105.7 | K228 | K228-M230 PolarHBondContact O-N 3.44Š|
| 231 | G | 42.9 | Very low | 48.4 | Very low | 53 Ų | 53 | 131.1 Ų | 131.1 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | | | trans | -60.8 | 149.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | S229 G233 | S229-G231 VanDerWaalsContact C-N 3.27Å; S229-G231 PolarHBondContact O-N 2.98Å; G231-G233 PolarHBondContact O-N 3.49Å; G231-G233 VanDerWaalsContact O-N 3.14Å |
| 232 | P | 46.9 | Very low | 47.7 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -76.7 | 108.3 | -173.6 | 31.2 | -30.4 | 0 | 0 | 0 | 109 | Y234 | P232-Y234 WeakPolarHBondContact O-CE1 3.31Š|
| 233 | G | 44 | Very low | 47.1 | Very low | 46 Ų | 46 | 129.7 Ų | 129.7 | 47% | 0.474 | 76% | 0.763 | S | S | . | * | | | trans | -139.6 | 80.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | G231 | G231-G233 PolarHBondContact O-N 3.49Å; G231-G233 VanDerWaalsContact O-N 3.14Å |
| 234 | Y | 45.8 | Very low | 47 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | 24 | 98.3 | 141.5 | 14.3 | -92.6 | 0 | 0 | 0 | 117.4 | P232 | P232-Y234 WeakPolarHBondContact O-CE1 3.31Š|
| 235 | T | 49.4 | Very low | 47.3 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | trans | 179.2 | 111.5 | 141.1 | 38.5 | 0 | 0 | 0 | 0 | 103.4 | | |
| 236 | G | 43.1 | Very low | 47.1 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | | 116.9 | 112.3 | 57.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 237 | D | 45 | Very low | 46.8 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | 90.3 | 132.8 | 158.4 | -124.7 | -16.5 | 0 | 0 | 0 | 120.3 | | |
| 238 | G | 43.9 | Very low | 46.5 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | | | trans | 126.6 | 47.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 239 | F | 43.6 | Very low | 46.3 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 15.8 | 117.6 | 146.1 | -63.5 | -91.4 | 0 | 0 | 0 | 120.8 | | |
| 240 | R | 51.9 | Low | 46.2 | Very low | 247 Ų | 247 | 133.9 Ų | 133.9 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | | | | 177.9 | 122.6 | 117.8 | -101.5 | 176.1 | -175.6 | -98.4 | 0.7 | 112.3 | | |
| 241 | P | 48.3 | Very low | 45.9 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | trans | -105.4 | 140.2 | 165.7 | 35.7 | -24.9 | 0 | 0 | 0 | 111.4 | | |
| 242 | H | 50.8 | Low | 45.8 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -160.4 | 102.2 | 155.8 | -131 | -89.3 | 0 | 0 | 0 | 106.5 | | |
| 243 | N | 48.1 | Very low | 45.9 | Very low | 110 Ų | 110 | 137 Ų | 137 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | | 60.7 | 117.1 | 90.4 | -58.2 | -23.6 | 0 | 0 | 0 | 110 | | |
| 244 | D | 48.1 | Very low | 45.6 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | cis | -165 | 162.6 | 27.2 | -70 | -53.9 | 0 | 0 | 0 | 111 | | |
| 245 | P | 50.6 | Low | 45.4 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | trans | -107.5 | -163.3 | 172.4 | 43.1 | -32.3 | 0 | 0 | 0 | 113 | | |
| 246 | P | 48.6 | Very low | 45.4 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | | -95.8 | 158.9 | -108.5 | 36.7 | -19.4 | 0 | 0 | 0 | 115.5 | | |
| 247 | F | 45.4 | Very low | 45.4 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | | | trans | -114.1 | 122.5 | 170 | -87.9 | -79.2 | 0 | 0 | 0 | 113.6 | | |
| 248 | C | 38.3 | Very low | 45.3 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | | | trans | -83.7 | 150.6 | 169.8 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 249 | S | 43.7 | Very low | 45.3 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | 154.5 | 108.3 | 146.2 | 45.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 250 | D | 40 | Very low | 45.1 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | | 79.2 | 134 | 81.6 | -69.2 | -45 | 0 | 0 | 0 | 113.1 | | |
| 251 | I | 45.9 | Very low | 44.9 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | 116 | 95 | 158.1 | -54.1 | 153.3 | 0 | 0 | 0 | 116 | | |
| 252 | D | 40.2 | Very low | 44.6 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | trans | -71.5 | -173.1 | 155.7 | -158.3 | 24.2 | 0 | 0 | 0 | 110.5 | | |
| 253 | P | 49.9 | Very low | 43.9 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | | | cis | -125.5 | 165.9 | -30.7 | 13.2 | 11.2 | 0 | 0 | 0 | 113.2 | | |
| 254 | G | 36.7 | Very low | 43.8 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | | | trans | 102.2 | 104.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 255 | F | 41.3 | Very low | 43.5 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | | | trans | -146 | 139.7 | 140.2 | -144.8 | -97.3 | 0 | 0 | 0 | 111.7 | | |
| 256 | K | 50.2 | Low | 43 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | trans | -88.5 | 151.4 | -167.3 | -71.1 | -163.4 | 176.1 | -162.2 | 0 | 112.4 | | |
| 257 | R | 42.2 | Very low | 42.9 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | | | trans | 86.9 | 148 | 136.3 | -81.7 | 175.5 | -73.8 | -152.8 | 4.6 | 120.3 | | |
| 258 | F | 44.2 | Very low | 42.8 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | 93 | 90.5 | 167.3 | -58.2 | -74 | 0 | 0 | 0 | 114.9 | | |
| 259 | T | 43.9 | Very low | 43 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | | 68.7 | 127.7 | 84.2 | 59 | 0 | 0 | 0 | 0 | 113.6 | | |
| 260 | E | 38.8 | Very low | 43.2 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | trans | 84.9 | 90.5 | 162.8 | -58.7 | 166.9 | -146.6 | 0 | 0 | 117.4 | | |
| 261 | N | 47.6 | Very low | 43.8 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -159 | 116.2 | 138.5 | -138.9 | -26.4 | 0 | 0 | 0 | 111.3 | G263 | N261-G263 PolarHBondContact O-N 2.83Š|
| 262 | P | 42.3 | Very low | 44 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -91.3 | 101.2 | 173.9 | 33.5 | -24.5 | 0 | 0 | 0 | 108.4 | | |
| 263 | G | 36.5 | Very low | 44.7 | Very low | 61 Ų | 61 | 133.3 Ų | 133.3 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | 165.3 | 73.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N261 | N261-G263 PolarHBondContact O-N 2.83Š|
| 264 | L | 45.6 | Very low | 44.4 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | -166.2 | 100 | 148 | -104.4 | 139.8 | 0 | 0 | 0 | 108.9 | E266 | L264-E266 PolarHBondContact O-N 3.16Å; L264-E266 VanDerWaalsContact O-N 3.09Å |
| 265 | R | 41.9 | Very low | 45.7 | Very low | 228 Ų | 228 | 140.2 Ų | 140.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -31.7 | 107.8 | 159.9 | 49.4 | -174.5 | 174.6 | -92.1 | -5 | 111.5 | T267 | R265-T267 PolarHBondContact O-N 3.11Š|
| 266 | E | 40.7 | Very low | 46.2 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -67.7 | 116.9 | 168.7 | -71.2 | -174.8 | 161 | 0 | 0 | 109 | L264 A268 | L264-E266 PolarHBondContact O-N 3.16Å; L264-E266 VanDerWaalsContact O-N 3.09Å; E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 3.47Å |
| 267 | T | 45.3 | Very low | 46.3 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | trans | -70 | 93.8 | 158.7 | 49.3 | 0 | 0 | 0 | 0 | 107 | R265 S269 | R265-T267 PolarHBondContact O-N 3.11Å; T267-S269 PolarHBondContact O-N 3.18Å |
| 268 | A | 44.1 | Very low | 47 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -57.7 | 105.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | E266 S270 | E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 3.47Å; A268-S270 VanDerWaalsContact C-N 3.29Å; A268-S270 PolarHBondContact O-N 2.89Å |
| 269 | S | 43 | Very low | 47.8 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -64.5 | 92.5 | 169.4 | -159.4 | 0 | 0 | 0 | 0 | 107.4 | T267 A271 | T267-S269 PolarHBondContact O-N 3.18Å; S269-A271 VanDerWaalsContact C-N 3.28Å; S269-A271 PolarHBondContact O-N 3.17Å |
| 270 | S | 47.8 | Very low | 48.5 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -77 | 82.5 | -179.9 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | A268 G272 | A268-S270 VanDerWaalsContact C-N 3.29Å; A268-S270 PolarHBondContact O-N 2.89Å; S270-G272 PolarHBondContact O-N 3.38Å |
| 271 | A | 51.9 | Low | 49.3 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -74.2 | 58.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S269 | S269-A271 VanDerWaalsContact C-N 3.28Å; S269-A271 PolarHBondContact O-N 3.17Å |
| 272 | G | 49.5 | Very low | 49.9 | Very low | 53 Ų | 53 | 133 Ų | 133 | 55% | 0.546 | 79% | 0.789 | S | S | . | * | | | trans | -94.9 | 104.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S270 | S270-G272 PolarHBondContact O-N 3.38Š|
| 273 | G | 55 | Low | 50.3 | Low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -55.5 | 147.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A275 | G273-A275 VanDerWaalsContact C-N 3.35Å; G273-A275 PolarHBondContact O-N 3.2Å |
| 274 | W | 43.5 | Very low | 50.8 | Low | 237 Ų | 237 | 136 Ų | 136 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -65.4 | 91.4 | -179.4 | -66 | 72.1 | 0 | 0 | 0 | 110.1 | | |
| 275 | A | 64.3 | Low | 51.2 | Low | 89 Ų | 89 | 135.1 Ų | 135.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -85.4 | 121.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | G273 G277 | G273-A275 VanDerWaalsContact C-N 3.35Å; G273-A275 PolarHBondContact O-N 3.2Å; A275-G277 PolarHBondContact O-N 2.85Å |
| 276 | R | 52.7 | Low | 51.4 | Low | 255 Ų | 255 | 131.3 Ų | 131.3 | 96% | 0.962 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -69.3 | 126.1 | 168.8 | -85.9 | 176.8 | 144 | -168.5 | -6 | 109 | | |
| 277 | G | 51.6 | Low | 51.7 | Low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | 89.3 | 73.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A275 | A275-G277 PolarHBondContact O-N 2.85Š|
| 278 | N | 57.2 | Low | 51.5 | Low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | -103.8 | 113.3 | 154.8 | -94.4 | 16.8 | 0 | 0 | 0 | 108.7 | | |
| 279 | I | 60.1 | Low | 51.6 | Low | 163 Ų | 163 | 129.7 Ų | 129.7 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -78.9 | 124.6 | 171 | -58 | 169.5 | 0 | 0 | 0 | 106.9 | S281 | I279-S281 PolarHBondContact O-N 2.9Å; I279-S281 VanDerWaalsContact O-N 3.11Å |
| 280 | I | 59.6 | Low | 51.5 | Low | 149 Ų | 149 | 127.6 Ų | 127.6 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -72.1 | 103.1 | 171.8 | -59.5 | 170.3 | 0 | 0 | 0 | 107 | V282 | I280-V282 HydrophobicContact CG2-CG1 4.45Å; I280-V282 PolarHBondContact O-N 2.96Å; I280-V282 VanDerWaalsContact O-N 3.16Å |
| 281 | S | 55.9 | Low | 51.4 | Low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -73.9 | 98.5 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | I279 | I279-S281 PolarHBondContact O-N 2.9Å; I279-S281 VanDerWaalsContact O-N 3.11Å |
| 282 | V | 59.3 | Low | 50.9 | Low | 123 Ų | 123 | 133.7 Ų | 133.7 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | | | trans | -81.8 | 110.6 | 164.8 | -86.1 | 0 | 0 | 0 | 0 | 108.8 | I280 | I280-V282 HydrophobicContact CG2-CG1 4.45Å; I280-V282 PolarHBondContact O-N 2.96Å; I280-V282 VanDerWaalsContact O-N 3.16Å |
| 283 | N | 50 | Low | 50.7 | Low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -53.1 | 128.7 | 170.9 | -86.5 | -28.2 | 0 | 0 | 0 | 111 | T285 | N283-T285 PolarHBondContact O-N 3.37Š|
| 284 | P | 48.9 | Very low | 50.4 | Low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | trans | -88.3 | 101.8 | 161.6 | 32.5 | -23.7 | 0 | 0 | 0 | 107.7 | N286 | P284-N286 PolarHBondContact O-N 3Š|
| 285 | T | 53.4 | Low | 50.1 | Low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | -70 | 112.1 | 168.4 | 46.7 | 0 | 0 | 0 | 0 | 109.4 | N283 | N283-T285 PolarHBondContact O-N 3.37Š|
| 286 | N | 45.5 | Very low | 49.1 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | -49.3 | 128.4 | 168.3 | -73.1 | -44.6 | 0 | 0 | 0 | 113.3 | P284 | P284-N286 PolarHBondContact O-N 3Š|
| 287 | N | 46.8 | Very low | 48.6 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | | 152.8 | 128.6 | 117.4 | -98.8 | -15.6 | 0 | 0 | 0 | 112.7 | | |
| 288 | P | 42.3 | Very low | 48.2 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -105.4 | 107.9 | 159 | 34.2 | -20.7 | 0 | 0 | 0 | 109.8 | | |
| 289 | A | 45.9 | Very low | 47.5 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -148.7 | 132.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 290 | G | 40.7 | Very low | 46.7 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -67.3 | 151.9 | -155 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 291 | H | 44.7 | Very low | 45.7 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | | -167.7 | 118.7 | 129.5 | -130.7 | -72.3 | 0 | 0 | 0 | 109.9 | | |
| 292 | L | 41.6 | Very low | 45.3 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -79.5 | 153.7 | 155.7 | -69.7 | 173.1 | 0 | 0 | 0 | 107.6 | | |
| 293 | P | 46.8 | Very low | 44.3 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | | -157 | -157.3 | 69.7 | 38.3 | -13.4 | 0 | 0 | 0 | 114 | | |
| 294 | P | 47.1 | Very low | 44.3 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | | -114.4 | 168.2 | -71.3 | 35.2 | -19.9 | 0 | 0 | 0 | 113.2 | S296 | P294-S296 PolarHBondContact O-N 3.04Š|
| 295 | N | 37.3 | Very low | 44 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -46 | 128.9 | 170.4 | -91.5 | -20.7 | 0 | 0 | 0 | 113.8 | | |
| 296 | S | 43.8 | Very low | 43.5 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -135.8 | 121.9 | 148.1 | -84 | 0 | 0 | 0 | 0 | 109 | P294 | P294-S296 PolarHBondContact O-N 3.04Š|
| 297 | S | 42.3 | Very low | 43.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -56.2 | 127.1 | 170 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 298 | D | 43.6 | Very low | 43.9 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -153.3 | 117.9 | 140.1 | -108.1 | -25.9 | 0 | 0 | 0 | 110.3 | S300 | D298-S300 PolarHBondContact O-N 3.01Š|
| 299 | A | 42.2 | Very low | 44 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -75.1 | 116.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 300 | S | 43.7 | Very low | 44.2 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | -140.4 | 111.7 | 161.5 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | D298 H302 | D298-S300 PolarHBondContact O-N 3.01Å; S300-H302 PolarHBondContact O-N 2.82Å |
| 301 | F | 38.9 | Very low | 44.6 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | -66.8 | 112.8 | 171.5 | -68.1 | -92.7 | 0 | 0 | 0 | 108.6 | | |
| 302 | H | 46.5 | Very low | 45.2 | Very low | 166 Ų | 166 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -130.9 | 111.8 | 162.4 | -95.7 | -62.8 | 0 | 0 | 0 | 110.8 | S300 | S300-H302 PolarHBondContact O-N 2.82Š|
| 303 | T | 37.9 | Very low | 46 | Very low | 133 Ų | 133 | 141 Ų | 141 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | | | trans | -64.8 | 120.3 | 166.6 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 304 | V | 51.2 | Low | 46.3 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -148.2 | 109.8 | 157.8 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 305 | S | 42.8 | Very low | 46.8 | Very low | 95 Ų | 95 | 143 Ų | 143 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | | | trans | 54.3 | 95.8 | 152.6 | 70.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 306 | E | 41.5 | Very low | 47.9 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -84.6 | 111.2 | 158 | -70.3 | 173.9 | 151.6 | 0 | 0 | 109.6 | | |
| 307 | N | 46.4 | Very low | 48.7 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -127.2 | 64.8 | 164.6 | 56.5 | -2.1 | 0 | 0 | 0 | 109 | | |
| 308 | T | 53.6 | Low | 49.8 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | | | trans | -109.1 | 69.5 | 178 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | G310 | T308-G310 PolarHBondContact O-N 3.09Š|
| 309 | N | 45.7 | Very low | 50.9 | Low | 182 Ų | 182 | 144.4 Ų | 144.4 | 97% | 0.973 | 78% | 0.784 | S | S | * | * | | | trans | -74 | 79.2 | 156.1 | -78.6 | -6.8 | 0 | 0 | 0 | 108.3 | | |
| 310 | G | 50.5 | Low | 51.6 | Low | 54 Ų | 54 | 150.3 Ų | 150.3 | 56% | 0.557 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -162.5 | 108.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | T308 S312 | T308-G310 PolarHBondContact O-N 3.09Å; G310-S312 PolarHBondContact O-N 3.13Å |
| 311 | W | 49.4 | Very low | 52.6 | Low | 238 Ų | 238 | 155 Ų | 155 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -31.7 | 123.1 | 179.3 | -74.9 | -38.6 | 0 | 0 | 0 | 112.6 | R313 | W311-R313 VanDerWaalsContact C-N 3.32Å; W311-R313 PolarHBondContact O-N 3.21Å |
| 312 | S | 57.3 | Low | 53.5 | Low | 111 Ų | 111 | 152.6 Ų | 152.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -57.9 | 94.3 | 172.8 | -48 | 0 | 0 | 0 | 0 | 109.4 | G310 N314 | G310-S312 PolarHBondContact O-N 3.13Å; S312-N314 PolarHBondContact O-N 2.85Å |
| 313 | R | 56.6 | Low | 53.7 | Low | 220 Ų | 220 | 151.2 Ų | 151.2 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -79.4 | 63.5 | 172.2 | -70.4 | 178.3 | 175.9 | 153.9 | -1.2 | 109.2 | W311 | W311-R313 VanDerWaalsContact C-N 3.32Å; W311-R313 PolarHBondContact O-N 3.21Å |
| 314 | N | 55 | Low | 54.3 | Low | 156 Ų | 156 | 155.3 Ų | 155.3 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -111.4 | 23.4 | 173.1 | -72.6 | 34.9 | 0 | 0 | 0 | 111.7 | S312 | S312-N314 PolarHBondContact O-N 2.85Š|
| 315 | V | 57 | Low | 54.3 | Low | 123 Ų | 123 | 158 Ų | 158 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -82.3 | 124.2 | 166.9 | -118.3 | 0 | 0 | 0 | 0 | 108.7 | V317 | V315-V317 VanDerWaalsContact C-N 3.3Å; V315-V317 WeakPolarHBondContact O-CG2 3.39Å; V315-V317 PolarHBondContact O-N 2.99Å |
| 316 | N | 59.7 | Low | 55 | Low | 165 Ų | 165 | 159.5 Ų | 159.5 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | trans | -66.9 | 81.3 | -177 | -150.4 | -6.7 | 0 | 0 | 0 | 110.1 | K318 | N316-K318 PolarHBondContact O-N 3.37Š|
| 317 | V | 60 | Low | 55.5 | Low | 114 Ų | 114 | 156.8 Ų | 156.8 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | trans | -78.3 | 111.9 | 176.3 | -171.6 | 0 | 0 | 0 | 0 | 108 | V315 T319 | V315-V317 VanDerWaalsContact C-N 3.3Å; V315-V317 WeakPolarHBondContact O-CG2 3.39Å; V315-V317 PolarHBondContact O-N 2.99Å; V317-T319 PolarHBondContact O-N 3.33Å |
| 318 | K | 65.4 | Low | 55.8 | Low | 183 Ų | 183 | 153.2 Ų | 153.2 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -57.1 | 107.9 | 163.3 | -103.7 | 107.7 | 159.2 | -171.3 | 0 | 107.6 | N316 Y320 | N316-K318 PolarHBondContact O-N 3.37Å; K318-Y320 PolarHBondContact O-N 2.94Å; K318-Y320 VanDerWaalsContact O-N 3.14Å |
| 319 | T | 66.7 | Low | 55.9 | Low | 127 Ų | 127 | 155.1 Ų | 155.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -70.9 | 103.4 | 166.6 | 45.6 | 0 | 0 | 0 | 0 | 107.5 | V317 K321 | V317-T319 PolarHBondContact O-N 3.33Å; T319-K321 PolarHBondContact O-N 3.49Å |
| 320 | Y | 57.9 | Low | 56.6 | Low | 217 Ų | 217 | 155.4 Ų | 155.4 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -64.8 | 117.9 | 161.8 | -90.7 | -94 | 0 | 0 | 0 | 106.9 | K318 D322 | K318-Y320 PolarHBondContact O-N 2.94Å; K318-Y320 VanDerWaalsContact O-N 3.14Å; Y320-D322 PolarHBondContact O-N 3.46Å |
| 321 | K | 64.3 | Low | 57.2 | Low | 193 Ų | 193 | 159 Ų | 159 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -63.9 | 118.6 | 167.3 | -75 | -170.4 | 173 | -173 | 0 | 107.3 | T319 V323 | T319-K321 PolarHBondContact O-N 3.49Å; K321-V323 PolarHBondContact O-N 2.97Å |
| 322 | D | 57.2 | Low | 58 | Low | 148 Ų | 148 | 152.7 Ų | 152.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -59.1 | 104 | 166.9 | -83.9 | -41 | 0 | 0 | 0 | 108.8 | Y320 R324 | Y320-D322 PolarHBondContact O-N 3.46Å; D322-R324 VanDerWaalsContact C-N 3.27Å; D322-R324 PolarHBondContact O-N 3.02Å |
| 323 | V | 51.6 | Low | 58.5 | Low | 137 Ų | 137 | 153 Ų | 153 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -84.9 | 79.7 | 162.7 | -177.3 | 0 | 0 | 0 | 0 | 106.1 | K321 | K321-V323 PolarHBondContact O-N 2.97Š|
| 324 | R | 51 | Low | 59 | Low | 220 Ų | 220 | 150.7 Ų | 150.7 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | | | trans | -124.9 | 66.7 | 165.3 | -74.8 | -168.2 | -168.8 | -161.6 | 2.8 | 109.5 | D322 | D322-R324 VanDerWaalsContact C-N 3.27Å; D322-R324 PolarHBondContact O-N 3.02Å |
| 325 | E | 51.4 | Low | 59.3 | Low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -119 | 78 | 156.4 | -67.7 | -161.6 | -173.9 | 0 | 0 | 107.9 | P327 | E325-P327 WeakPolarHBondContact O-CD 3.22Š|
| 326 | T | 56.8 | Low | 59.6 | Low | 125 Ų | 125 | 152.3 Ų | 152.3 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | | | trans | -94.7 | 104.6 | 155.6 | 41.6 | 0 | 0 | 0 | 0 | 107 | G328 | T326-G328 PolarHBondContact O-N 2.9Š|
| 327 | P | 51.4 | Low | 59.7 | Low | 135 Ų | 135 | 153.3 Ų | 153.3 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | trans | -75.6 | 107.1 | 172.1 | 31.3 | -28 | 0 | 0 | 0 | 106.6 | E325 | E325-P327 WeakPolarHBondContact O-CD 3.22Š|
| 328 | G | 53.4 | Low | 59.8 | Low | 67 Ų | 67 | 152.8 Ų | 152.8 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | 173.8 | -0.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | T326 | T326-G328 PolarHBondContact O-N 2.9Š|
| 329 | L | 56.4 | Low | 59.5 | Low | 157 Ų | 157 | 148.6 Ų | 148.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | -125.5 | 75.3 | 177.8 | -67.7 | 169.1 | 0 | 0 | 0 | 110.2 | I331 | L329-I331 PolarHBondContact O-N 3.04Š|
| 330 | E | 60.4 | Low | 59 | Low | 188 Ų | 188 | 152.1 Ų | 152.1 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | -69.7 | 102.9 | 165.4 | -173.7 | 172.6 | -173 | 0 | 0 | 108.1 | D332 | E330-D332 PolarHBondContact O-N 2.92Å; E330-D332 VanDerWaalsContact O-N 3.15Å |
| 331 | I | 62.5 | Low | 58.9 | Low | 131 Ų | 131 | 146.8 Ų | 146.8 | 67% | 0.672 | 76% | 0.762 | S | S | * | * | | | trans | -77.8 | 97.3 | 173.8 | -59.2 | 170.9 | 0 | 0 | 0 | 106.9 | L329 L333 | L329-I331 PolarHBondContact O-N 3.04Å; I331-L333 HydrophobicContact CG2-CD2 4.28Å; I331-L333 PolarHBondContact O-N 3.14Å; I331-L333 VanDerWaalsContact O-N 3.14Å |
| 332 | D | 65.6 | Low | 58.4 | Low | 105 Ų | 105 | 146.7 Ų | 146.7 | 56% | 0.561 | 77% | 0.765 | S | S | * | * | | | trans | -68.9 | 108.2 | 173.9 | -163.1 | 4.9 | 0 | 0 | 0 | 109.6 | E330 K334 | E330-D332 PolarHBondContact O-N 2.92Å; E330-D332 VanDerWaalsContact O-N 3.15Å; D332-K334 PolarHBondContact O-N 3.3Å; D332-K334 WeakPolarHBondContact OD1-CD 3.34Å; D332-K334 WeakPolarHBondContact OD1-CG 3.33Å; D332-K334 IonicContact OD1-NZ 3.99Å |
| 333 | L | 67.7 | Low | 58.2 | Low | 118 Ų | 118 | 150.2 Ų | 150.2 | 62% | 0.618 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -78.5 | 3.3 | -173.3 | -72.6 | 165.9 | 0 | 0 | 0 | 113.6 | I331 N335 | I331-L333 HydrophobicContact CG2-CD2 4.28Å; I331-L333 PolarHBondContact O-N 3.14Å; I331-L333 VanDerWaalsContact O-N 3.14Å; L333-N335 PolarHBondContact O-N 3.09Å |
| 334 | K | 67.5 | Low | 58.5 | Low | 170 Ų | 170 | 150.9 Ų | 150.9 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -78.6 | -16.2 | -166.1 | -70 | 172.5 | -171.5 | 157.6 | 0 | 115.4 | D332 | D332-K334 PolarHBondContact O-N 3.3Å; D332-K334 WeakPolarHBondContact OD1-CD 3.34Å; D332-K334 WeakPolarHBondContact OD1-CG 3.33Å; D332-K334 IonicContact OD1-NZ 3.99Å |
| 335 | N | 61.5 | Low | 58.9 | Low | 120 Ų | 120 | 147.3 Ų | 147.3 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -127 | 43.1 | -171.4 | -70.5 | -16.7 | 0 | 0 | 0 | 114.4 | L333 F337 | L333-N335 PolarHBondContact O-N 3.09Å; N335-F337 PolarHBondContact O-N 3.5Å |
| 336 | R | 63 | Low | 59.3 | Low | 193 Ų | 193 | 145.2 Ų | 145.2 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -73.9 | -6.8 | 175.2 | -82.1 | -169.2 | 176.7 | -169.9 | -0.2 | 115.2 | | |
| 337 | F | 62.7 | Low | 59.5 | Low | 186 Ų | 186 | 146.4 Ų | 146.4 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -119.8 | 0.6 | -170.7 | -71.2 | -77 | 0 | 0 | 0 | 115.9 | N335 | N335-F337 PolarHBondContact O-N 3.5Š|
| 338 | T | 60.6 | Low | 60 | Low | 104 Ų | 104 | 147.1 Ų | 147.1 | 64% | 0.638 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -95 | 8.3 | -172.9 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 339 | A | 59 | Low | 60.4 | Low | 94 Ų | 94 | 152.4 Ų | 152.4 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | -100.9 | 23.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 340 | F | 57.4 | Low | 60.7 | Low | 202 Ų | 202 | 152.1 Ų | 152.1 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -115.4 | 24.1 | -173.4 | -86.4 | -73.4 | 0 | 0 | 0 | 115.5 | | |
| 341 | S | 55.2 | Low | 60.7 | Low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -145.2 | 65.2 | 177.2 | 65.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 342 | E | 54.4 | Low | 60.6 | Low | 191 Ų | 191 | 150.8 Ų | 150.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | | | trans | -169.8 | 85.1 | 160.4 | -117.5 | 170.9 | -175.1 | 0 | 0 | 109.3 | | |
| 343 | T | 52.2 | Low | 60.1 | Low | 222 Ų | 222 | 155 Ų | 155 | 100% | 1.362 | 80% | 0.803 | S | S | * | * | | | trans | -165.5 | 0 | 150.5 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | | |