| 1 | M | 40.5 | Very low | 47.4 | Very low | 243 Ų | 243 | 157 Ų | 157 | 100% | 1.197 | 83% | 0.83 | S | S | * | * | | | | 0 | 114.2 | 0 | -74.9 | 168.4 | -172.9 | 0 | 0 | 105.8 | | |
| 2 | G | 46.9 | Very low | 47.3 | Very low | 76 Ų | 76 | 154.8 Ų | 154.8 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 127.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L4 | G2-L4 PolarHBondContact O-N 3.28Š|
| 3 | D | 49.5 | Very low | 46.8 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122 | 176 | -74 | -31.8 | 0 | 0 | 0 | 109.9 | | |
| 4 | L | 49.1 | Very low | 46.5 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 123.9 | 175.9 | -83.4 | 146.9 | 0 | 0 | 0 | 109 | G2 T6 | G2-L4 PolarHBondContact O-N 3.28Å; L4-T6 PolarHBondContact O-N 3.23Å |
| 5 | P | 55.1 | Low | 46.7 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 124.8 | 178.7 | 23.9 | -30.9 | 0 | 0 | 0 | 109.5 | | |
| 6 | T | 50.8 | Low | 47.1 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.7 | 175.6 | 17 | 0 | 0 | 0 | 0 | 109.9 | L4 R8 | L4-T6 PolarHBondContact O-N 3.23Å; T6-R8 PolarHBondContact O-N 2.92Å |
| 7 | P | 46.9 | Very low | 47.1 | Very low | 123 Ų | 123 | 156 Ų | 156 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | | | trans | -63.6 | 107 | 179.5 | 25.3 | -32.1 | 0 | 0 | 0 | 108.3 | N9 | P7-N9 PolarHBondContact O-N 2.82Š|
| 8 | R | 45.8 | Very low | 47.2 | Very low | 229 Ų | 229 | 157.7 Ų | 157.7 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -56.7 | 116.3 | 166.6 | -78.5 | -178.3 | 177.1 | 142.6 | 0 | 105.8 | T6 I10 | T6-R8 PolarHBondContact O-N 2.92Å; R8-I10 PolarHBondContact O-N 2.83Å |
| 9 | N | 46 | Very low | 46.8 | Very low | 137 Ų | 137 | 155.8 Ų | 155.8 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | | | trans | -65.4 | 91.3 | 171.7 | -170.4 | -23.1 | 0 | 0 | 0 | 106.3 | P7 R11 | P7-N9 PolarHBondContact O-N 2.82Å; N9-R11 PolarHBondContact O-N 3.46Å; N9-R11 PolarHBondContact OD1-N 2.81Å |
| 10 | I | 44.9 | Very low | 46.6 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | | | trans | -71.9 | 74.4 | 169.8 | -52.4 | 166.9 | 0 | 0 | 0 | 104.8 | R8 D12 | R8-I10 PolarHBondContact O-N 2.83Å; I10-D12 HydrophobicContact CG2-CB 4.49Å; I10-D12 WeakPolarHBondContact CG2-OD1 3.05Å; I10-D12 PolarHBondContact O-N 2.97Å |
| 11 | R | 46 | Very low | 46.6 | Very low | 224 Ų | 224 | 154.1 Ų | 154.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | trans | -67.9 | 86.1 | 151.4 | -98.6 | -176.2 | -179.2 | -177.5 | 0.5 | 104.2 | N9 G13 | N9-R11 PolarHBondContact O-N 3.46Å; N9-R11 PolarHBondContact OD1-N 2.81Å; R11-G13 VanDerWaalsContact C-N 3.3Å; R11-G13 PolarHBondContact O-N 3.02Å |
| 12 | D | 46.5 | Very low | 46.4 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -47.8 | 100.4 | 167.4 | -78 | -46.8 | 0 | 0 | 0 | 107.6 | I10 F14 | I10-D12 HydrophobicContact CG2-CB 4.49Å; I10-D12 WeakPolarHBondContact CG2-OD1 3.05Å; I10-D12 PolarHBondContact O-N 2.97Å; D12-F14 PolarHBondContact O-N 2.93Å |
| 13 | G | 40.8 | Very low | 46.1 | Very low | 77 Ų | 77 | 153.1 Ų | 153.1 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 32.5 | 13.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | R11 E15 | R11-G13 VanDerWaalsContact C-N 3.3Å; R11-G13 PolarHBondContact O-N 3.02Å; G13-E15 PolarHBondContact O-N 2.63Å |
| 14 | F | 42.9 | Very low | 45.6 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -83.7 | 65.7 | 176.2 | -118.4 | -87.6 | 0 | 0 | 0 | 108.5 | D12 P16 | D12-F14 PolarHBondContact O-N 2.93Å; F14-P16 WeakPolarHBondContact O-CD 3.37Å |
| 15 | E | 48.7 | Very low | 45.2 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -63.9 | 119.5 | 162.4 | -132.8 | 177.2 | -170.5 | 0 | 0 | 106.6 | G13 R17 | G13-E15 PolarHBondContact O-N 2.63Å; E15-R17 PolarHBondContact O-N 2.91Å |
| 16 | P | 52.8 | Low | 44.8 | Very low | 110 Ų | 110 | 153.6 Ų | 153.6 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | | | trans | -60.5 | 113.9 | 178.1 | 22.6 | -30 | 0 | 0 | 0 | 107.6 | F14 Q18 | F14-P16 WeakPolarHBondContact O-CD 3.37Å; P16-Q18 PolarHBondContact O-N 2.85Å |
| 17 | R | 47.5 | Very low | 44.3 | Very low | 235 Ų | 235 | 155.4 Ų | 155.4 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | -54.5 | 109.8 | 169.5 | -68.8 | -175.5 | 178.5 | -160.6 | -0.8 | 106.4 | E15 T19 | E15-R17 PolarHBondContact O-N 2.91Å; R17-T19 VanDerWaalsContact C-N 3.32Å; R17-T19 PolarHBondContact O-N 2.9Å |
| 18 | Q | 48.5 | Very low | 44.1 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -58.9 | 102.6 | 171.6 | -64.4 | -174.7 | 9.7 | 0 | 0 | 106.1 | P16 | P16-Q18 PolarHBondContact O-N 2.85Š|
| 19 | T | 40.9 | Very low | 44.3 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -62.5 | 132.3 | 168.6 | 41.3 | 0 | 0 | 0 | 0 | 106.2 | R17 L21 | R17-T19 VanDerWaalsContact C-N 3.32Å; R17-T19 PolarHBondContact O-N 2.9Å; T19-L21 PolarHBondContact O-N 3.28Å; T19-L21 VanDerWaalsContact O-N 3.09Å |
| 20 | P | 42.8 | Very low | 44.5 | Very low | 104 Ų | 104 | 151 Ų | 151 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | trans | -53.4 | 126.4 | -178.2 | -22.2 | 31.3 | 0 | 0 | 0 | 108 | Y22 | P20-Y22 PolarHBondContact O-N 2.71Š|
| 21 | L | 45.4 | Very low | 44.8 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | -52.3 | 93.4 | 164 | -144.2 | 86.8 | 0 | 0 | 0 | 104.7 | T19 S23 | T19-L21 PolarHBondContact O-N 3.28Å; T19-L21 VanDerWaalsContact O-N 3.09Å; L21-S23 PolarHBondContact O-N 2.71Å |
| 22 | Y | 37.5 | Very low | 45.1 | Very low | 209 Ų | 209 | 146 Ų | 146 | 82% | 0.82 | 78% | 0.78 | S | S | * | * | | | trans | -72.6 | 86.8 | 178.7 | -131.7 | -88.2 | 0 | 0 | 0 | 104.5 | P20 N24 | P20-Y22 PolarHBondContact O-N 2.71Å; Y22-N24 PolarHBondContact O-N 3.09Å |
| 23 | S | 39.4 | Very low | 45 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | | | trans | -48.8 | 120.3 | 170.8 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | L21 | L21-S23 PolarHBondContact O-N 2.71Š|
| 24 | N | 39.7 | Very low | 45.2 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 21.9 | 124.2 | 137.9 | -63.1 | -14.8 | 0 | 0 | 0 | 115.7 | Y22 | Y22-N24 PolarHBondContact O-N 3.09Š|
| 25 | N | 41.2 | Very low | 45.3 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | trans | 139 | 19.4 | 140.1 | -62.9 | -22.6 | 0 | 0 | 0 | 115.8 | M27 | N25-M27 PolarHBondContact O-N 2.7Å; N25-M27 VanDerWaalsContact O-N 3.09Å |
| 26 | M | 44.7 | Very low | 45.1 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | | | trans | -83.7 | 62.8 | 149.2 | -62.3 | -168.4 | -169.1 | 0 | 0 | 108.5 | G28 | M26-G28 PolarHBondContact O-N 2.92Š|
| 27 | M | 41.7 | Very low | 44.6 | Very low | 163 Ų | 163 | 148 Ų | 148 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | | | trans | -66.7 | 65.9 | 157.7 | -70.6 | -157.8 | -68.4 | 0 | 0 | 107.7 | N25 E29 | N25-M27 PolarHBondContact O-N 2.7Å; N25-M27 VanDerWaalsContact O-N 3.09Å; M27-E29 PolarHBondContact O-N 3.05Å |
| 28 | G | 42.9 | Very low | 44.5 | Very low | 58 Ų | 58 | 141.5 Ų | 141.5 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | | | trans | -69.9 | 109.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | M26 L30 | M26-G28 PolarHBondContact O-N 2.92Å; G28-L30 VanDerWaalsContact C-N 3.28Å; G28-L30 PolarHBondContact O-N 2.78Å |
| 29 | E | 50 | Low | 44.2 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -51 | 87.7 | 179 | -62 | 175.2 | 168.3 | 0 | 0 | 110.3 | M27 P31 | M27-E29 PolarHBondContact O-N 3.05Å; E29-P31 WeakPolarHBondContact O-CD 3.19Å |
| 30 | L | 49.4 | Very low | 44.4 | Very low | 152 Ų | 152 | 139 Ų | 139 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | -72.2 | 123.3 | 166.7 | -74 | 175.7 | 0 | 0 | 0 | 106.1 | G28 V32 | G28-L30 VanDerWaalsContact C-N 3.28Å; G28-L30 PolarHBondContact O-N 2.78Å; L30-V32 PolarHBondContact O-N 2.76Å |
| 31 | P | 51.7 | Low | 44.8 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -55.6 | 109.4 | 177.1 | -20.9 | 30.9 | 0 | 0 | 0 | 107.8 | E29 P33 | E29-P31 WeakPolarHBondContact O-CD 3.19Å; P31-P33 VanDerWaalsContact O-CD 3.29Å; P31-P33 WeakPolarHBondContact O-CD 3.36Å; P31-P33 VanDerWaalsContact O-N 3.11Å |
| 32 | V | 51.7 | Low | 45.2 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | | | trans | -58.4 | 122.1 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 105.5 | L30 R34 | L30-V32 PolarHBondContact O-N 2.76Å; V32-R34 PolarHBondContact O-N 2.82Å |
| 33 | P | 44.6 | Very low | 46 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | | | trans | -55.1 | 112.4 | 173.9 | -21 | 31.2 | 0 | 0 | 0 | 106.3 | P31 N35 | P31-P33 VanDerWaalsContact O-CD 3.29Å; P31-P33 WeakPolarHBondContact O-CD 3.36Å; P31-P33 VanDerWaalsContact O-N 3.11Å; P33-N35 PolarHBondContact O-N 3.22Å |
| 34 | R | 44.7 | Very low | 46.5 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | | | trans | -62.8 | 90.1 | 165.4 | -82.6 | -177.3 | 171.5 | 164 | -1.6 | 104.6 | V32 T36 | V32-R34 PolarHBondContact O-N 2.82Å; R34-T36 HydrophobicContact CB-CG2 4.42Å; R34-T36 PolarHBondContact O-N 3.19Å |
| 35 | N | 46.4 | Very low | 47 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -66.9 | 74.3 | 163 | -77.9 | -17.2 | 0 | 0 | 0 | 105.9 | P33 H37 | P33-N35 PolarHBondContact O-N 3.22Å; N35-H37 PolarHBondContact O-N 3.13Å |
| 36 | T | 43.8 | Very low | 47.2 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | | | trans | -70.8 | 63.3 | 154.4 | 53.8 | 0 | 0 | 0 | 0 | 106.4 | R34 T38 | R34-T36 HydrophobicContact CB-CG2 4.42Å; R34-T36 PolarHBondContact O-N 3.19Å; T36-T38 PolarHBondContact O-N 3.17Å |
| 37 | H | 42.2 | Very low | 47.4 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | -71.8 | 78.2 | 147.3 | -81.1 | -38.1 | 0 | 0 | 0 | 104.8 | N35 G39 | N35-H37 PolarHBondContact O-N 3.13Å; H37-G39 PolarHBondContact O-N 2.82Å; H37-G39 VanDerWaalsContact O-N 3.08Å |
| 38 | T | 45.2 | Very low | 47.7 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 61% | 0.613 | 74% | 0.741 | S | S | * | * | | | trans | -42.1 | 117.7 | 155.1 | 49.5 | 0 | 0 | 0 | 0 | 105.2 | T36 Y40 | T36-T38 PolarHBondContact O-N 3.17Å; T38-Y40 VanDerWaalsContact C-N 3.28Å; T38-Y40 PolarHBondContact O-N 3.09Å |
| 39 | G | 41.7 | Very low | 47.7 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | -49.7 | 96 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | H37 E41 | H37-G39 PolarHBondContact O-N 2.82Å; H37-G39 VanDerWaalsContact O-N 3.08Å; G39-E41 PolarHBondContact O-N 2.65Å |
| 40 | Y | 46.4 | Very low | 47.5 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | | | trans | -82.5 | 83.5 | 170.5 | -125.2 | -88.7 | 0 | 0 | 0 | 103.1 | T38 | T38-Y40 VanDerWaalsContact C-N 3.28Å; T38-Y40 PolarHBondContact O-N 3.09Å |
| 41 | E | 50.1 | Low | 47.1 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | trans | -51.1 | 128 | 162.5 | -111.6 | -170.7 | 165.4 | 0 | 0 | 106.6 | G39 R43 | G39-E41 PolarHBondContact O-N 2.65Å; E41-R43 PolarHBondContact O-N 2.88Å |
| 42 | P | 54.2 | Low | 46.9 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | | | trans | -56.9 | 111.5 | 174.9 | -17.9 | 29.2 | 0 | 0 | 0 | 106.5 | H44 | P42-H44 VanDerWaalsContact C-N 3.32Å; P42-H44 PolarHBondContact O-N 3Å |
| 43 | R | 54.3 | Low | 46.6 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | | | trans | -55.8 | 107.4 | 167.7 | -77.3 | -172.5 | -87.2 | 167.9 | -7.5 | 105.2 | E41 L45 | E41-R43 PolarHBondContact O-N 2.88Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 2.87Å |
| 44 | H | 50.8 | Low | 46.4 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -54.3 | 105.2 | 169.8 | -71.7 | -84.7 | 0 | 0 | 0 | 105.2 | P42 S46 | P42-H44 VanDerWaalsContact C-N 3.32Å; P42-H44 PolarHBondContact O-N 3Å; H44-S46 PolarHBondContact O-N 3.07Å |
| 45 | L | 48.7 | Very low | 46.7 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | | | trans | -58.3 | 103.1 | 167.3 | -73.9 | 165.9 | 0 | 0 | 0 | 103.9 | R43 P47 | R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 2.87Å; L45-P47 WeakPolarHBondContact O-CD 3.31Å; L45-P47 VanDerWaalsContact O-N 3.15Å |
| 46 | S | 45.5 | Very low | 46.8 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 56% | 0.559 | 75% | 0.751 | S | S | * | * | | | trans | -51.6 | 126 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 105.9 | H44 Y48 G49 | H44-S46 PolarHBondContact O-N 3.07Å; S46-Y48 PolarHBondContact O-N 2.81Å; S46-G49 PolarHBondContact O-N 2.83Å |
| 47 | P | 49.7 | Very low | 46.9 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -9.1 | -177.3 | -25 | 32.7 | 0 | 0 | 0 | 113.7 | L45 | L45-P47 WeakPolarHBondContact O-CD 3.31Å; L45-P47 VanDerWaalsContact O-N 3.15Å |
| 48 | Y | 48.1 | Very low | 47.5 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 28 | -178.7 | -53.7 | -71.3 | 0 | 0 | 0 | 113.3 | S46 S50 | S46-Y48 PolarHBondContact O-N 2.81Å; Y48-S50 PolarHBondContact O-N 3Å |
| 49 | G | 43.4 | Very low | 47.8 | Very low | 64 Ų | 64 | 140.4 Ų | 140.4 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | | | trans | -61.7 | 83.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | S46 | S46-G49 PolarHBondContact O-N 2.83Š|
| 50 | S | 43.9 | Very low | 48.5 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | 45.8 | 92.6 | 151.7 | -52.4 | 0 | 0 | 0 | 0 | 116.3 | Y48 S52 | Y48-S50 PolarHBondContact O-N 3Å; S50-S52 PolarHBondContact O-N 3.1Å; S50-S52 VanDerWaalsContact O-N 3.12Å |
| 51 | R | 41.9 | Very low | 49 | Very low | 250 Ų | 250 | 140.6 Ų | 140.6 | 94% | 0.943 | 76% | 0.756 | S | S | * | * | | | trans | -43.6 | 113.3 | 155.1 | -66 | 172.5 | 173.4 | -179 | -3.8 | 110.7 | | |
| 52 | S | 47.8 | Very low | 49.1 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | trans | 171.5 | 103 | 136.5 | 55.2 | 0 | 0 | 0 | 0 | 107.7 | S50 | S50-S52 PolarHBondContact O-N 3.1Å; S50-S52 VanDerWaalsContact O-N 3.12Å |
| 53 | N | 44.3 | Very low | 49 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | -172.4 | 91.3 | 139.5 | -87.7 | -19.7 | 0 | 0 | 0 | 106.2 | L55 | N53-L55 HydrophobicContact CB-CD1 4.47Å; N53-L55 PolarHBondContact O-N 3.29Å |
| 54 | N | 41.4 | Very low | 49 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | | | trans | -65.4 | 55.5 | 175.5 | -61.6 | -33.3 | 0 | 0 | 0 | 111.4 | | |
| 55 | L | 51.3 | Low | 49.3 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | | | trans | -92.9 | -12.1 | 176.8 | -92.4 | 151.9 | 0 | 0 | 0 | 112.7 | N53 | N53-L55 HydrophobicContact CB-CD1 4.47Å; N53-L55 PolarHBondContact O-N 3.29Å |
| 56 | M | 47.5 | Very low | 49.7 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -102 | 88.1 | 168 | -135 | 79.2 | 72 | 0 | 0 | 106.9 | D58 I59 | M56-D58 PolarHBondContact O-N 3.36Å; M56-I59 HydrophobicContact CG-CD1 4.05Å; M56-I59 HydrophobicContact CG-CG1 4.49Å |
| 57 | G | 46.6 | Very low | 50.5 | Low | 62 Ų | 62 | 139.6 Ų | 139.6 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | | | trans | -50.7 | 137.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I59 | G57-I59 PolarHBondContact O-N 2.73Š|
| 58 | D | 54.3 | Low | 51.3 | Low | 160 Ų | 160 | 140.3 Ų | 140.3 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | trans | -21 | 90.3 | 178.3 | -52.7 | -35.3 | 0 | 0 | 0 | 113 | M56 P60 | M56-D58 PolarHBondContact O-N 3.36Å; D58-P60 WeakPolarHBondContact O-CD 3.4Å; D58-P60 VanDerWaalsContact O-N 3.16Å |
| 59 | I | 52.4 | Low | 52.3 | Low | 125 Ų | 125 | 140.1 Ų | 140.1 | 64% | 0.641 | 75% | 0.754 | S | S | * | * | | | trans | -71.2 | 110.2 | 161.2 | -59.7 | 176.3 | 0 | 0 | 0 | 102.3 | M56 G57 D61 | M56-I59 HydrophobicContact CG-CD1 4.05Å; M56-I59 HydrophobicContact CG-CG1 4.49Å; G57-I59 PolarHBondContact O-N 2.73Å; I59-D61 PolarHBondContact O-N 2.9Å; I59-D61 VanDerWaalsContact O-N 3.1Å |
| 60 | P | 56.1 | Low | 53.9 | Low | 107 Ų | 107 | 144.9 Ų | 144.9 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | trans | -53.8 | 129.8 | 175.8 | 23.6 | -31.7 | 0 | 0 | 0 | 105.5 | D58 A62 | D58-P60 WeakPolarHBondContact O-CD 3.4Å; D58-P60 VanDerWaalsContact O-N 3.16Å; P60-A62 PolarHBondContact O-N 3.02Å |
| 61 | D | 56.9 | Low | 55.5 | Low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | trans | -48.1 | 95.9 | 176 | -73.9 | -37.8 | 0 | 0 | 0 | 106.6 | I59 K63 | I59-D61 PolarHBondContact O-N 2.9Å; I59-D61 VanDerWaalsContact O-N 3.1Å; D61-K63 PolarHBondContact O-N 3.3Å |
| 62 | A | 51.6 | Low | 57.1 | Low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | -69.1 | 85.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 100.3 | P60 L64 | P60-A62 PolarHBondContact O-N 3.02Å; A62-L64 PolarHBondContact O-N 2.79Å |
| 63 | K | 53.3 | Low | 58.4 | Low | 178 Ų | 178 | 146.9 Ų | 146.9 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | | | trans | -47.7 | 101.9 | 165.7 | -79.4 | -177.5 | 178.3 | 178.5 | 0 | 101.6 | D61 V65 | D61-K63 PolarHBondContact O-N 3.3Å; K63-V65 HydrophobicContact CB-CG2 4.28Å; K63-V65 WeakPolarHBondContact O-CG2 3.32Å; K63-V65 PolarHBondContact O-N 2.96Å |
| 64 | L | 54.7 | Low | 60.1 | Low | 131 Ų | 131 | 147 Ų | 147 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | | | trans | -70.2 | 81.1 | 178.4 | -175.1 | 74.8 | 0 | 0 | 0 | 101.9 | A62 R66 | A62-L64 PolarHBondContact O-N 2.79Å; L64-R66 HydrophobicContact CD2-CG 3.85Å; L64-R66 VanDerWaalsContact CD2-NE 3.34Å; L64-R66 HydrophobicContact CG-CG 3.8Å; L64-R66 PolarHBondContact O-N 2.86Å |
| 65 | V | 56.8 | Low | 61.7 | Low | 110 Ų | 110 | 144.5 Ų | 144.5 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | | | trans | -67.4 | 81.9 | 167.9 | -175.5 | 0 | 0 | 0 | 0 | 101.9 | K63 E67 | K63-V65 HydrophobicContact CB-CG2 4.28Å; K63-V65 WeakPolarHBondContact O-CG2 3.32Å; K63-V65 PolarHBondContact O-N 2.96Å; V65-E67 HydrophobicContact CG1-CG 4.07Å; V65-E67 PolarHBondContact O-N 3.11Å |
| 66 | R | 55.8 | Low | 62.8 | Low | 198 Ų | 198 | 142.8 Ų | 142.8 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | trans | -63.9 | 93.6 | 158.5 | -66.1 | -168.3 | 170.8 | -153.7 | -3.5 | 102.2 | L64 T68 | L64-R66 HydrophobicContact CD2-CG 3.85Å; L64-R66 VanDerWaalsContact CD2-NE 3.34Å; L64-R66 HydrophobicContact CG-CG 3.8Å; L64-R66 PolarHBondContact O-N 2.86Å; R66-T68 PolarHBondContact O-N 3.46Å |
| 67 | E | 63.3 | Low | 64.1 | Low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | trans | -54.7 | 101.8 | 162.2 | -66.3 | -178.1 | 178.2 | 0 | 0 | 104.2 | V65 Y69 | V65-E67 HydrophobicContact CG1-CG 4.07Å; V65-E67 PolarHBondContact O-N 3.11Å; E67-Y69 VanDerWaalsContact C-N 3.28Å; E67-Y69 PolarHBondContact O-N 3.36Å |
| 68 | T | 66.9 | Low | 64.9 | Low | 130 Ų | 130 | 151.7 Ų | 151.7 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | -60.2 | 102 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 105.1 | R66 E70 | R66-T68 PolarHBondContact O-N 3.46Å; T68-E70 PolarHBondContact O-N 3.23Å |
| 69 | Y | 67.6 | Low | 65.1 | Low | 202 Ų | 202 | 151.1 Ų | 151.1 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -65.1 | 103.1 | 179 | 177.2 | -100.4 | 0 | 0 | 0 | 108 | E67 P71 | E67-Y69 VanDerWaalsContact C-N 3.28Å; E67-Y69 PolarHBondContact O-N 3.36Å; Y69-P71 HydrophobicContact CE1-CB 4.44Å |
| 70 | E | 76.9 | Confident | 65.3 | Low | 163 Ų | 163 | 155.9 Ų | 155.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -86.9 | 118.3 | 173.7 | -163.2 | 175.3 | -169.1 | 0 | 0 | 108.1 | T68 H72 | T68-E70 PolarHBondContact O-N 3.23Å; E70-H72 PolarHBondContact O-N 3.34Å |
| 71 | P | 78.1 | Confident | 65.4 | Low | 89 Ų | 89 | 154.9 Ų | 154.9 | 58% | 0.578 | 76% | 0.759 | S | S | * | * | | | trans | -67.8 | 120.6 | -178.1 | 26.1 | -32.5 | 0 | 0 | 0 | 110.4 | Y69 Y73 | Y69-P71 HydrophobicContact CE1-CB 4.44Å; P71-Y73 PolarHBondContact O-N 2.89Å |
| 72 | H | 74.7 | Confident | 64.9 | Low | 183 Ų | 183 | 153.7 Ų | 153.7 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | | | trans | -69.2 | 114.9 | 170.4 | -96.6 | -169 | 0 | 0 | 0 | 110.8 | E70 I74 | E70-H72 PolarHBondContact O-N 3.34Å; H72-I74 PolarHBondContact O-N 3.08Å |
| 73 | Y | 76.1 | Confident | 64.8 | Low | 222 Ų | 222 | 156.1 Ų | 156.1 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 118.4 | 174.5 | -125.1 | -91.8 | 0 | 0 | 0 | 110.3 | P71 P75 | P71-Y73 PolarHBondContact O-N 2.89Å; Y73-P75 WeakPolarHBondContact O-CD 3.29Å |
| 74 | I | 79.4 | Confident | 64.6 | Low | 144 Ų | 144 | 155.9 Ų | 155.9 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 120.1 | 172.6 | -59.5 | 172.1 | 0 | 0 | 0 | 108.2 | H72 V76 | H72-I74 PolarHBondContact O-N 3.08Å; I74-V76 PolarHBondContact O-N 2.87Å |
| 75 | P | 76.3 | Confident | 64.2 | Low | 113 Ų | 113 | 156.6 Ų | 156.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.6 | 176.9 | -20.8 | 31.8 | 0 | 0 | 0 | 111.2 | Y73 K77 | Y73-P75 WeakPolarHBondContact O-CD 3.29Å; P75-K77 PolarHBondContact O-N 3.21Å |
| 76 | V | 73.9 | Confident | 63.5 | Low | 117 Ų | 117 | 158.2 Ų | 158.2 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | trans | -79.1 | 112.3 | 170.3 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | I74 Y78 | I74-V76 PolarHBondContact O-N 2.87Å; V76-Y78 PolarHBondContact O-N 2.72Å; V76-Y78 VanDerWaalsContact O-N 3.11Å |
| 77 | K | 74 | Confident | 63.1 | Low | 191 Ų | 191 | 154 Ų | 154 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | | | trans | -69.9 | 105.8 | 168.9 | -65.4 | -174.1 | -178 | -177.2 | 0 | 108.4 | P75 N79 | P75-K77 PolarHBondContact O-N 3.21Å; K77-N79 PolarHBondContact O-N 3.18Å |
| 78 | Y | 64.8 | Low | 62.5 | Low | 213 Ų | 213 | 151.8 Ų | 151.8 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | trans | -70.8 | 95.8 | 165.7 | -89 | -88.5 | 0 | 0 | 0 | 108.7 | V76 R80 | V76-Y78 PolarHBondContact O-N 2.72Å; V76-Y78 VanDerWaalsContact O-N 3.11Å; Y78-R80 PolarHBondContact O-N 3.31Å |
| 79 | N | 57.8 | Low | 61.7 | Low | 148 Ų | 148 | 151 Ų | 151 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -70.4 | 85.3 | 163.1 | -91.7 | -19.2 | 0 | 0 | 0 | 108 | K77 S81 | K77-N79 PolarHBondContact O-N 3.18Å; N79-S81 PolarHBondContact O-N 2.86Å |
| 80 | R | 56.6 | Low | 60.8 | Low | 224 Ų | 224 | 148.2 Ų | 148.2 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -71.5 | 75.8 | 164.7 | -156.7 | -177.9 | -138 | -161.5 | 5 | 107.2 | Y78 N82 | Y78-R80 PolarHBondContact O-N 3.31Å; R80-N82 PolarHBondContact O-N 2.74Å |
| 81 | S | 57.3 | Low | 59.5 | Low | 86 Ų | 86 | 149.4 Ų | 149.4 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | | | trans | -68.9 | 106.8 | 171.8 | 43.9 | 0 | 0 | 0 | 0 | 107.1 | N79 N83 | N79-S81 PolarHBondContact O-N 2.86Å; S81-N83 PolarHBondContact O-N 3.42Å |
| 82 | N | 47.4 | Very low | 57.9 | Low | 130 Ų | 130 | 151.3 Ų | 151.3 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | -69.8 | 63.3 | 170 | -70.8 | -35.5 | 0 | 0 | 0 | 109.3 | R80 L84 | R80-N82 PolarHBondContact O-N 2.74Å; N82-L84 VanDerWaalsContact C-N 3.29Å |
| 83 | N | 48.3 | Very low | 57 | Low | 135 Ų | 135 | 149.8 Ų | 149.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | -98.7 | 33 | 174.5 | -69.5 | -18.8 | 0 | 0 | 0 | 110.9 | S81 L85 | S81-N83 PolarHBondContact O-N 3.42Å; N83-L85 PolarHBondContact O-N 2.88Å; N83-L85 VanDerWaalsContact O-N 3.13Å |
| 84 | L | 50.3 | Low | 55.8 | Low | 174 Ų | 174 | 149.3 Ų | 149.3 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | | | trans | -77.2 | 23.9 | 169 | -68.1 | -178 | 0 | 0 | 0 | 112.7 | N82 | N82-L84 VanDerWaalsContact C-N 3.29Š|
| 85 | L | 45.5 | Very low | 54.3 | Low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -120.4 | 91 | 176.5 | -80.9 | 162.9 | 0 | 0 | 0 | 108.5 | N83 | N83-L85 PolarHBondContact O-N 2.88Å; N83-L85 VanDerWaalsContact O-N 3.13Å |
| 86 | N | 43.5 | Very low | 52.9 | Low | 144 Ų | 144 | 154.1 Ų | 154.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | 59.2 | 121.3 | 161.2 | -65.7 | -25.1 | 0 | 0 | 0 | 114.3 | | |
| 87 | V | 46.5 | Very low | 51.6 | Low | 111 Ų | 111 | 158 Ų | 158 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | | | | -163.9 | 139.9 | 70.1 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | E89 | V87-E89 HydrophobicContact CG1-CG 4.04Å; V87-E89 PolarHBondContact O-N 3.26Å |
| 88 | S | 51.5 | Low | 50.3 | Low | 123 Ų | 123 | 156.4 Ų | 156.4 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -60.6 | 36.8 | 175.3 | -37.4 | 0 | 0 | 0 | 0 | 115.5 | T90 | S88-T90 PolarHBondContact O-N 3.45Š|
| 89 | E | 49 | Very low | 49.8 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 54% | 0.537 | 76% | 0.762 | S | S | . | * | | | trans | -88.8 | 94.5 | 171.5 | -73.8 | 179.2 | -172.3 | 0 | 0 | 108.2 | V87 R91 | V87-E89 HydrophobicContact CG1-CG 4.04Å; V87-E89 PolarHBondContact O-N 3.26Å; E89-R91 HydrophobicContact CB-CG 3.96Å; E89-R91 PolarHBondContact O-N 3.14Å; E89-R91 IonicContact OE2-CZ 3.23Å; E89-R91 VanDerWaalsContact OE2-CZ 3.23Å; E89-R91 IonicContact OE2-NE 2.82Å; E89-R91 PolarHBondContact OE2-NE 3.28Å; E89-R91 IonicContact OE2-NH2 2.76Å; E89-R91 PolarHBondContact OE2-NH2 2.92Å |
| 90 | T | 49.4 | Very low | 49.3 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | trans | -59.7 | 72.7 | 158.3 | 49.6 | 0 | 0 | 0 | 0 | 108.6 | S88 N92 | S88-T90 PolarHBondContact O-N 3.45Å; T90-N92 PolarHBondContact O-N 3.08Å |
| 91 | R | 49.1 | Very low | 48.9 | Very low | 188 Ų | 188 | 154.2 Ų | 154.2 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | trans | -70.1 | 106.1 | 170.9 | -63 | -171.2 | -164.1 | 151.6 | 5.6 | 105.7 | E89 I93 | E89-R91 HydrophobicContact CB-CG 3.96Å; E89-R91 PolarHBondContact O-N 3.14Å; E89-R91 IonicContact OE2-CZ 3.23Å; E89-R91 VanDerWaalsContact OE2-CZ 3.23Å; E89-R91 IonicContact OE2-NE 2.82Å; E89-R91 PolarHBondContact OE2-NE 3.28Å; E89-R91 IonicContact OE2-NH2 2.76Å; E89-R91 PolarHBondContact OE2-NH2 2.92Å; R91-I93 WeakPolarHBondContact O-CG1 3.47Å; R91-I93 PolarHBondContact O-N 2.75Å |
| 92 | N | 45.5 | Very low | 48.4 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | | | trans | -49 | 102.2 | 176.4 | -166.5 | -14.3 | 0 | 0 | 0 | 109.5 | T90 R94 | T90-N92 PolarHBondContact O-N 3.08Å; N92-R94 PolarHBondContact O-N 2.91Å; N92-R94 VanDerWaalsContact O-N 3.17Å; N92-R94 WeakPolarHBondContact OD1-CB 3.49Å |
| 93 | I | 55.3 | Low | 48.3 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -74.3 | -1.1 | -174.3 | -53.3 | 179.9 | 0 | 0 | 0 | 111 | R91 D95 | R91-I93 WeakPolarHBondContact O-CG1 3.47Å; R91-I93 PolarHBondContact O-N 2.75Å; I93-D95 VanDerWaalsContact C-N 3.28Å; I93-D95 PolarHBondContact O-N 3.22Å |
| 94 | R | 50.2 | Low | 48.1 | Very low | 212 Ų | 212 | 157.6 Ų | 157.6 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -66.6 | -24.4 | -168.7 | -159 | 168.9 | -144.4 | -172.3 | 4.6 | 114.6 | N92 | N92-R94 PolarHBondContact O-N 2.91Å; N92-R94 VanDerWaalsContact O-N 3.17Å; N92-R94 WeakPolarHBondContact OD1-CB 3.49Å |
| 95 | D | 48.4 | Very low | 47.6 | Very low | 139 Ų | 139 | 159.2 Ų | 159.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -105.7 | 7.2 | -166.1 | -63.4 | -18.7 | 0 | 0 | 0 | 115.3 | I93 | I93-D95 VanDerWaalsContact C-N 3.28Å; I93-D95 PolarHBondContact O-N 3.22Å |
| 96 | R | 45.8 | Very low | 47.6 | Very low | 220 Ų | 220 | 157 Ų | 157 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | -102.5 | 16 | -175.2 | -138.9 | -178.5 | -173 | 174.7 | 3.6 | 116.5 | E98 | R96-E98 PolarHBondContact O-N 3.4Š|
| 97 | F | 47 | Very low | 47.7 | Very low | 197 Ų | 197 | 156.3 Ų | 156.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -79.4 | 67.1 | 160.8 | -83.2 | -86.9 | 0 | 0 | 0 | 109.3 | S99 | F97-S99 PolarHBondContact O-N 3.06Å; F97-S99 VanDerWaalsContact O-N 3.1Å |
| 98 | E | 46.2 | Very low | 47.7 | Very low | 159 Ų | 159 | 158.1 Ų | 158.1 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -64.4 | 109.8 | 158 | -77.3 | 178.9 | -177.3 | 0 | 0 | 106.7 | R96 R100 | R96-E98 PolarHBondContact O-N 3.4Å; E98-R100 VanDerWaalsContact C-N 3.31Å; E98-R100 PolarHBondContact O-N 2.74Å |
| 99 | S | 54.6 | Low | 47.8 | Very low | 115 Ų | 115 | 161 Ų | 161 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -52.7 | 96.4 | 171.7 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | F97 Q101 | F97-S99 PolarHBondContact O-N 3.06Å; F97-S99 VanDerWaalsContact O-N 3.1Å; S99-Q101 PolarHBondContact O-N 2.94Å |
| 100 | R | 48.3 | Very low | 47.9 | Very low | 233 Ų | 233 | 162.9 Ų | 162.9 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -59.7 | 111.7 | 173.9 | -68.7 | -175.7 | 179.4 | -135.5 | -1 | 106.3 | E98 T102 | E98-R100 VanDerWaalsContact C-N 3.31Å; E98-R100 PolarHBondContact O-N 2.74Å; R100-T102 PolarHBondContact O-N 3.03Å |
| 101 | Q | 47.1 | Very low | 48.1 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -52.3 | 104.6 | 176.6 | -63.1 | 176.1 | 5.1 | 0 | 0 | 107.6 | S99 | S99-Q101 PolarHBondContact O-N 2.94Š|
| 102 | T | 48.1 | Very low | 48.5 | Very low | 126 Ų | 126 | 159 Ų | 159 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -67.3 | 137.2 | 174 | 43.5 | 0 | 0 | 0 | 0 | 108.1 | R100 L104 | R100-T102 PolarHBondContact O-N 3.03Å; T102-L104 PolarHBondContact O-N 2.69Å |
| 103 | P | 44 | Very low | 49 | Very low | 118 Ų | 118 | 159.6 Ų | 159.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -57.8 | 135.4 | -172.3 | -20.9 | 31.7 | 0 | 0 | 0 | 111.6 | Y105 | P103-Y105 PolarHBondContact O-N 2.88Š|
| 104 | L | 45.5 | Very low | 49.3 | Very low | 178 Ų | 178 | 156 Ų | 156 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -63.2 | 66.4 | 170.8 | -79.2 | 148.6 | 0 | 0 | 0 | 110.9 | T102 | T102-L104 PolarHBondContact O-N 2.69Š|
| 105 | Y | 38.4 | Very low | 49.8 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -149.1 | 61.2 | 170.2 | -108.8 | -82.6 | 0 | 0 | 0 | 109.2 | P103 | P103-Y105 PolarHBondContact O-N 2.88Š|
| 106 | S | 45.9 | Very low | 50.2 | Low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -126.4 | 80.6 | 162.4 | 151.9 | 0 | 0 | 0 | 0 | 106.1 | N108 | S106-N108 PolarHBondContact O-N 2.83Š|
| 107 | N | 46 | Very low | 50.9 | Low | 128 Ų | 128 | 139.1 Ų | 139.1 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | | | trans | -66.3 | 89 | 165.9 | -73.7 | -31.7 | 0 | 0 | 0 | 107.8 | M109 | N107-M109 VanDerWaalsContact C-N 3.27Å; N107-M109 PolarHBondContact O-N 2.95Å |
| 108 | N | 46.7 | Very low | 51.3 | Low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 30.3 | 37.4 | 143.4 | -57.5 | -16.9 | 0 | 0 | 0 | 119.9 | S106 M110 | S106-N108 PolarHBondContact O-N 2.83Å; N108-M110 VanDerWaalsContact C-N 3.34Å |
| 109 | M | 52.6 | Low | 51.6 | Low | 185 Ų | 185 | 129.8 Ų | 129.8 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | | | trans | -84.2 | -13.3 | 167.7 | -68.7 | -170.5 | -178.1 | 0 | 0 | 112.7 | N107 G111 | N107-M109 VanDerWaalsContact C-N 3.27Å; N107-M109 PolarHBondContact O-N 2.95Å; M109-G111 PolarHBondContact O-N 2.82Å |
| 110 | M | 52.2 | Low | 51.5 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -77 | 81.5 | 166.3 | -65.3 | -73.1 | -77.2 | 0 | 0 | 106.7 | N108 E112 L113 | N108-M110 VanDerWaalsContact C-N 3.34Å; M110-E112 PolarHBondContact O-N 2.94Å; M110-L113 HydrophobicContact CE-CD1 4.46Å |
| 111 | G | 54 | Low | 52.2 | Low | 55 Ų | 55 | 121.8 Ų | 121.8 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | | | trans | -44.9 | 132.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | M109 L113 | M109-G111 PolarHBondContact O-N 2.82Å; G111-L113 PolarHBondContact O-N 3.1Å |
| 112 | E | 57.1 | Low | 53 | Low | 193 Ų | 193 | 117.2 Ų | 117.2 | 90% | 0.902 | 68% | 0.677 | S | S | * | * | | | trans | -45.4 | 106.7 | -172.9 | -65.8 | 179 | 173.8 | 0 | 0 | 109.9 | M110 | M110-E112 PolarHBondContact O-N 2.94Š|
| 113 | L | 56.2 | Low | 53.4 | Low | 141 Ų | 141 | 112.9 Ų | 112.9 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 130.3 | 172.8 | -71.7 | 174.7 | 0 | 0 | 0 | 106.5 | M110 G111 A115 | M110-L113 HydrophobicContact CE-CD1 4.46Å; G111-L113 PolarHBondContact O-N 3.1Å; L113-A115 PolarHBondContact O-N 2.81Å; L113-A115 VanDerWaalsContact O-N 3.08Å |
| 114 | P | 60.1 | Low | 54.1 | Low | 75 Ų | 75 | 113.9 Ų | 113.9 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 122.6 | -179.4 | 19.9 | -31 | 0 | 0 | 0 | 109.3 | | |
| 115 | A | 62.4 | Low | 54.7 | Low | 85 Ų | 85 | 109.2 Ų | 109.2 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L113 S117 | L113-A115 PolarHBondContact O-N 2.81Å; L113-A115 VanDerWaalsContact O-N 3.08Å; A115-S117 PolarHBondContact O-N 2.81Å |
| 116 | P | 56.7 | Low | 55.7 | Low | 53 Ų | 53 | 105 Ų | 105 | 34% | 0.344 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 133 | 176.2 | 24.2 | -31.8 | 0 | 0 | 0 | 109.3 | S118 Y126 Y128 | P116-S118 PolarHBondContact O-N 2.73Å; P116-Y126 HydrophobicContact CB-CD1 3.94Å; P116-Y126 HydrophobicContact CG-CD1 3.89Å; P116-Y128 HydrophobicContact CB-CE1 4.36Å |
| 117 | S | 59.6 | Low | 56.4 | Low | 79 Ų | 79 | 103.4 Ų | 103.4 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -72.8 | -15.9 | -175.1 | 56.2 | 0 | 0 | 0 | 0 | 113 | A115 S127 | A115-S117 PolarHBondContact O-N 2.81Å; S117-S127 PolarHBondContact N-O 2.67Å; S117-S127 PolarHBondContact OG-O 2.87Å |
| 118 | S | 54.7 | Low | 57.2 | Low | 68 Ų | 68 | 103.8 Ų | 103.8 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -164.6 | 152.1 | 170.5 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | P116 | P116-S118 PolarHBondContact O-N 2.73Å |
| 119 | V | 52.9 | Low | 58.1 | Low | 93 Ų | 93 | 100.6 Ų | 100.6 | 56% | 0.564 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.4 | 168.7 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | Y126 | V119-Y126 HydrophobicContact CG2-CD1 4.49Å; V119-Y126 HydrophobicContact CG2-CE1 4.25Å |
| 120 | S | 53.5 | Low | 58.8 | Low | 45 Ų | 45 | 99 Ų | 99 | 32% | 0.315 | 58% | 0.584 | S | S | . | * | | | trans | -61 | 143.3 | 171.2 | 170 | 0 | 0 | 0 | 0 | 110.3 | N122 G123 T125 | S120-N122 VanDerWaalsContact CB-OD1 3.31Å; S120-N122 WeakPolarHBondContact CB-OD1 3.44Å; S120-N122 PolarHBondContact O-N 3.29Å; S120-N122 PolarHBondContact OG-OD1 2.96Å; S120-G123 PolarHBondContact O-N 2.81Å; S120-T125 PolarHBondContact N-O 2.79Å |
| 121 | S | 62.7 | Low | 59.5 | Low | 134 Ų | 134 | 96.7 Ų | 96.7 | 94% | 0.937 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -17.8 | -178.8 | 58.8 | 0 | 0 | 0 | 0 | 114 | G123 | S121-G123 VanDerWaalsContact C-N 3.31Š|
| 122 | N | 62.8 | Low | 60.1 | Low | 95 Ų | 95 | 103.1 Ų | 103.1 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | 7.1 | 174.1 | 69.5 | -0.7 | 0 | 0 | 0 | 114.2 | S120 N124 | S120-N122 VanDerWaalsContact CB-OD1 3.31Å; S120-N122 WeakPolarHBondContact CB-OD1 3.44Å; S120-N122 PolarHBondContact O-N 3.29Å; S120-N122 PolarHBondContact OG-OD1 2.96Å; N122-N124 PolarHBondContact O-N 3Å |
| 123 | G | 58 | Low | 60.5 | Low | 35 Ų | 35 | 104.1 Ų | 104.1 | 36% | 0.361 | 59% | 0.591 | S | S | . | * | S | Bend | trans | 66 | -5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S120 S121 | S120-G123 PolarHBondContact O-N 2.81Å; S121-G123 VanDerWaalsContact C-N 3.31Å |
| 124 | N | 58.5 | Low | 61.3 | Low | 140 Ų | 140 | 103 Ų | 103 | 75% | 0.749 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -116 | 7.3 | -166.8 | -69 | -21.1 | 0 | 0 | 0 | 113.4 | N122 | N122-N124 PolarHBondContact O-N 3Š|
| 125 | T | 58.5 | Low | 61.7 | Low | 80 Ų | 80 | 107 Ų | 107 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | | | trans | -136.8 | 112.6 | 178.7 | -45.7 | 0 | 0 | 0 | 0 | 109.9 | S120 | S120-T125 PolarHBondContact N-O 2.79Š|
| 126 | Y | 59.6 | Low | 61.7 | Low | 118 Ų | 118 | 110.3 Ų | 110.3 | 46% | 0.463 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.1 | 170 | -61.4 | -78.4 | 0 | 0 | 0 | 107.7 | P116 V119 Y128 | P116-Y126 HydrophobicContact CB-CD1 3.94Å; P116-Y126 HydrophobicContact CG-CD1 3.89Å; V119-Y126 HydrophobicContact CG2-CD1 4.49Å; V119-Y126 HydrophobicContact CG2-CE1 4.25Å; Y126-Y128 VanDerWaalsContact CB-CZ 3.46Å; Y126-Y128 WeakPolarHBondContact CB-OH 3.49Å |
| 127 | S | 59.5 | Low | 62.2 | Low | 67 Ų | 67 | 116.8 Ų | 116.8 | 47% | 0.469 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.6 | 171.6 | -164.2 | 0 | 0 | 0 | 0 | 108.6 | S117 | S117-S127 PolarHBondContact N-O 2.67Å; S117-S127 PolarHBondContact OG-O 2.87Å |
| 128 | Y | 62.7 | Low | 62.7 | Low | 135 Ų | 135 | 119.9 Ų | 119.9 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | | | trans | -106.4 | 129.9 | 175.5 | -47.8 | -83.5 | 0 | 0 | 0 | 109 | P116 Y126 I130 | P116-Y128 HydrophobicContact CB-CE1 4.36Å; Y126-Y128 VanDerWaalsContact CB-CZ 3.46Å; Y126-Y128 WeakPolarHBondContact CB-OH 3.49Å; Y128-I130 PolarHBondContact O-N 2.66Å |
| 129 | S | 65.4 | Low | 63.3 | Low | 82 Ų | 82 | 122.5 Ų | 122.5 | 57% | 0.573 | 65% | 0.654 | S | S | * | * | | | trans | -76.8 | 110.5 | 171.8 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | P131 | S129-P131 WeakPolarHBondContact O-CD 3.47Š|
| 130 | I | 67.2 | Low | 63.8 | Low | 151 Ų | 151 | 126.5 Ų | 126.5 | 77% | 0.774 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -67 | 126.3 | 173.6 | -59.4 | 172.1 | 0 | 0 | 0 | 107.6 | Y128 Q132 | Y128-I130 PolarHBondContact O-N 2.66Å; I130-Q132 PolarHBondContact O-N 3.47Å |
| 131 | P | 67.3 | Low | 64.3 | Low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 124.2 | 174.6 | -23.7 | 32.4 | 0 | 0 | 0 | 110.2 | S129 R133 | S129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-R133 PolarHBondContact O-N 2.76Å; P131-R133 VanDerWaalsContact O-N 3.14Å |
| 132 | Q | 67.4 | Low | 64 | Low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118.3 | 174.5 | -70.3 | -178.2 | -8.4 | 0 | 0 | 108 | I130 | I130-Q132 PolarHBondContact O-N 3.47Š|
| 133 | R | 65.7 | Low | 63.6 | Low | 215 Ų | 215 | 132.4 Ų | 132.4 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 136 | 171.7 | -72 | -175.2 | 167.3 | -163.7 | -4.2 | 108 | P131 N135 | P131-R133 PolarHBondContact O-N 2.76Å; P131-R133 VanDerWaalsContact O-N 3.14Å; R133-N135 PolarHBondContact O-N 2.68Å |
| 134 | P | 71.6 | Confident | 63.4 | Low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 140.3 | 170 | 22.8 | -30.8 | 0 | 0 | 0 | 108.8 | L136 | P134-L136 PolarHBondContact O-N 2.6Š|
| 135 | N | 69.4 | Low | 63.2 | Low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 118.8 | 179 | -68.2 | -50.4 | 0 | 0 | 0 | 109.1 | R133 K137 | R133-N135 PolarHBondContact O-N 2.68Å; N135-K137 PolarHBondContact O-N 2.9Å |
| 136 | L | 62.5 | Low | 62.9 | Low | 154 Ų | 154 | 139.2 Ų | 139.2 | 81% | 0.806 | 69% | 0.687 | S | S | * | * | | | trans | -60.2 | 108.7 | 170.6 | -112.6 | 92.7 | 0 | 0 | 0 | 106.8 | P134 I138 | P134-L136 PolarHBondContact O-N 2.6Å; L136-I138 PolarHBondContact O-N 3.1Å; L136-I138 VanDerWaalsContact O-N 3.1Å |
| 137 | K | 67.4 | Low | 62.5 | Low | 188 Ų | 188 | 144.3 Ų | 144.3 | 82% | 0.817 | 71% | 0.705 | S | S | * | * | | | trans | -70.6 | 107.8 | 170.1 | -164.6 | 178.4 | -175.5 | -170.5 | 0 | 106.1 | N135 I139 | N135-K137 PolarHBondContact O-N 2.9Å; K137-I139 VanDerWaalsContact C-N 3.33Å; K137-I139 PolarHBondContact O-N 3.02Å |
| 138 | I | 69 | Low | 62.3 | Low | 145 Ų | 145 | 150.6 Ų | 150.6 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | | | trans | -65.5 | 102 | 167.2 | -58.5 | 172.7 | 0 | 0 | 0 | 105.3 | L136 R140 | L136-I138 PolarHBondContact O-N 3.1Å; L136-I138 VanDerWaalsContact O-N 3.1Å; I138-R140 PolarHBondContact O-N 3.14Å |
| 139 | I | 68.7 | Low | 61.7 | Low | 122 Ų | 122 | 149.1 Ų | 149.1 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | | | trans | -70.3 | 114.5 | 166.8 | -57.9 | 172 | 0 | 0 | 0 | 104.3 | K137 | K137-I139 VanDerWaalsContact C-N 3.33Å; K137-I139 PolarHBondContact O-N 3.02Å |
| 140 | R | 63.6 | Low | 60.8 | Low | 178 Ų | 178 | 156.5 Ų | 156.5 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | | | trans | -77.8 | 130.1 | 169.9 | -62.8 | -176.2 | -153.7 | 167.9 | 5.5 | 106.3 | I138 E142 D143 | I138-R140 PolarHBondContact O-N 3.14Å; R140-E142 PolarHBondContact O-N 3.43Å; R140-D143 PolarHBondContact O-N 3.2Å |
| 141 | D | 62.3 | Low | 60.5 | Low | 126 Ų | 126 | 156.8 Ų | 156.8 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -2.2 | -179.6 | -61.3 | -42.8 | 0 | 0 | 0 | 113.9 | D143 T144 | D141-D143 PolarHBondContact O-N 3.34Å; D141-T144 WeakPolarHBondContact O-CB 3.14Å; D141-T144 PolarHBondContact O-N 3.12Å; D141-T144 PolarHBondContact O-OG1 2.78Å |
| 142 | E | 57.1 | Low | 60.2 | Low | 139 Ų | 139 | 159.5 Ų | 159.5 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -58.7 | -24.3 | 174.8 | -67.7 | 178.9 | 178.4 | 0 | 0 | 113 | R140 T144 | R140-E142 PolarHBondContact O-N 3.43Å; E142-T144 PolarHBondContact O-N 2.83Å |
| 143 | D | 54.7 | Low | 59.8 | Low | 132 Ų | 132 | 157.8 Ų | 157.8 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -73.1 | -14.4 | 175.5 | -69.7 | -20.1 | 0 | 0 | 0 | 113.3 | R140 D141 | R140-D143 PolarHBondContact O-N 3.2Å; D141-D143 PolarHBondContact O-N 3.34Å |
| 144 | T | 54 | Low | 59.4 | Low | 80 Ų | 80 | 154.4 Ų | 154.4 | 49% | 0.491 | 75% | 0.751 | S | S | . | * | H | α-helix | trans | -83.5 | -26 | -177.6 | -34.8 | 0 | 0 | 0 | 0 | 112.2 | D141 E142 N146 | D141-T144 WeakPolarHBondContact O-CB 3.14Å; D141-T144 PolarHBondContact O-N 3.12Å; D141-T144 PolarHBondContact O-OG1 2.78Å; E142-T144 PolarHBondContact O-N 2.83Å; T144-N146 PolarHBondContact O-N 3.37Å |
| 145 | Y | 53 | Low | 58.6 | Low | 192 Ų | 192 | 156.8 Ų | 156.8 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -76.5 | -21.9 | -174.9 | -99 | -83.5 | 0 | 0 | 0 | 114.2 | R147 | Y145-R147 VanDerWaalsContact C-N 3.27Å; Y145-R147 PolarHBondContact O-N 3.49Å |
| 146 | N | 52.4 | Low | 57.9 | Low | 127 Ų | 127 | 156.5 Ų | 156.5 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -3.5 | 179.3 | -70.9 | -24.2 | 0 | 0 | 0 | 114 | T144 | T144-N146 PolarHBondContact O-N 3.37Š|
| 147 | R | 52.2 | Low | 57.6 | Low | 225 Ų | 225 | 156.7 Ų | 156.7 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -5.9 | -179.5 | -115.8 | -174.9 | -148.2 | -170.1 | 6.9 | 115.2 | Y145 | Y145-R147 VanDerWaalsContact C-N 3.27Å; Y145-R147 PolarHBondContact O-N 3.49Å |
| 148 | Y | 54.6 | Low | 56.8 | Low | 198 Ų | 198 | 154.3 Ų | 154.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -115.7 | 12.3 | -176.5 | -65.5 | -74.3 | 0 | 0 | 0 | 113.6 | | |
| 149 | T | 49.7 | Very low | 55.8 | Low | 105 Ų | 105 | 155.1 Ų | 155.1 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | | | trans | -124.3 | 69.6 | 173.7 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 150 | D | 47.8 | Very low | 54.7 | Low | 237 Ų | 237 | 158.1 Ų | 158.1 | 100% | 1.267 | 74% | 0.742 | S | S | * | * | | | trans | -140.3 | 0 | 155.1 | -84.6 | -32.1 | 0 | 0 | 0 | 107.9 | | |