| 1 | M | 59.4 | Low | 59.4 | Low | 245 Ų | 245 | 165 Ų | 165 | 100% | 1.207 | 81% | 0.809 | S | S | * | * | | | | 0 | 125.1 | 0 | -75.7 | -167.2 | 166.1 | 0 | 0 | 107.7 | | |
| 2 | S | 58.6 | Low | 59.5 | Low | 97 Ų | 97 | 157.3 Ų | 157.3 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | trans | -4 | 127.1 | 166.1 | -44.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 3 | E | 62.6 | Low | 58.7 | Low | 170 Ų | 170 | 160.4 Ų | 160.4 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | | 97.7 | 106.5 | 89.3 | -79.1 | 172.7 | 165 | 0 | 0 | 110.7 | | |
| 4 | T | 57.8 | Low | 58.4 | Low | 128 Ų | 128 | 161 Ų | 161 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | | 49.2 | 114.4 | 85.7 | 53.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 5 | R | 58.9 | Low | 58.5 | Low | 239 Ų | 239 | 158.9 Ų | 158.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | | 165 | 117 | 123.6 | -127.7 | 162.6 | 172.4 | 169.8 | -2.2 | 108.5 | | |
| 6 | S | 54.7 | Low | 58.1 | Low | 89 Ų | 89 | 159.8 Ų | 159.8 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | | | | 68 | 126.1 | 69.5 | -142.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 7 | E | 59.9 | Low | 57.7 | Low | 166 Ų | 166 | 159 Ų | 159 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | trans | 75.6 | 114.2 | 138.3 | -107.5 | 167.9 | 139.3 | 0 | 0 | 119.8 | | |
| 8 | M | 63.7 | Low | 57.9 | Low | 133 Ų | 133 | 156.9 Ų | 156.9 | 66% | 0.655 | 81% | 0.805 | S | S | * | * | | | | 177.8 | 116.7 | 91 | -100.6 | 174.3 | 78.9 | 0 | 0 | 109.9 | R10 | M8-R10 HydrophobicContact CE-CG 4.13Å; M8-R10 VanDerWaalsContact CE-NE 3.28Å |
| 9 | Q | 54.5 | Low | 58.1 | Low | 180 Ų | 180 | 159 Ų | 159 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | | | trans | -89.4 | 126.5 | 162.7 | -154.3 | 172.4 | -3.2 | 0 | 0 | 106.3 | | |
| 10 | R | 65.7 | Low | 58.3 | Low | 211 Ų | 211 | 160.1 Ų | 160.1 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | | | trans | -125.2 | 105.7 | 165.3 | -81 | -163.7 | -159 | -178.6 | 7.8 | 108.3 | M8 | M8-R10 HydrophobicContact CE-CG 4.13Å; M8-R10 VanDerWaalsContact CE-NE 3.28Å |
| 11 | D | 57.5 | Low | 58.5 | Low | 157 Ų | 157 | 157.8 Ų | 157.8 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -75.4 | 136.1 | 149.6 | -75.7 | -43.7 | 0 | 0 | 0 | 108.1 | | |
| 12 | G | 60.8 | Low | 58.4 | Low | 73 Ų | 73 | 153.3 Ų | 153.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -158.4 | 94.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 13 | Q | 49 | Very low | 58.6 | Low | 197 Ų | 197 | 154 Ų | 154 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -51.2 | 136.1 | 155.3 | -78.3 | 174.7 | -90.1 | 0 | 0 | 109 | | |
| 14 | E | 54.3 | Low | 58.6 | Low | 169 Ų | 169 | 150.8 Ų | 150.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -173.7 | 145.4 | 135.6 | -116.6 | -175.8 | -173.8 | 0 | 0 | 113.2 | | |
| 15 | N | 59.8 | Low | 59.4 | Low | 130 Ų | 130 | 152.4 Ų | 152.4 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | 86.4 | 96.3 | 149.1 | -55.3 | -26.5 | 0 | 0 | 0 | 119.2 | | |
| 16 | Q | 51.6 | Low | 60.4 | Low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | -58.9 | 164.6 | 140.3 | -68.9 | -179.7 | -20.7 | 0 | 0 | 110.6 | | |
| 17 | D | 52.7 | Low | 62 | Low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | 82.1 | 86.1 | 165.8 | -51 | -25.8 | 0 | 0 | 0 | 117.3 | | |
| 18 | S | 60.3 | Low | 63.4 | Low | 121 Ų | 121 | 140.6 Ų | 140.6 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | | -160.9 | 99 | 127.4 | -19 | 0 | 0 | 0 | 0 | 109.1 | E20 | S18-E20 PolarHBondContact O-N 2.98Š|
| 19 | E | 61.6 | Low | 64.5 | Low | 197 Ų | 197 | 141.3 Ų | 141.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | -65.9 | 114.1 | 161.3 | -73 | -165.8 | 143 | 0 | 0 | 108 | S21 | E19-S21 PolarHBondContact O-N 2.87Š|
| 20 | E | 62.1 | Low | 66 | Low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -69.7 | 91.7 | 179.3 | -162.8 | 173.5 | -169.8 | 0 | 0 | 109 | S18 L22 | S18-E20 PolarHBondContact O-N 2.98Å; E20-L22 PolarHBondContact O-N 2.86Å |
| 21 | S | 62.5 | Low | 67.2 | Low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -66.9 | 104.4 | 171.7 | 63.1 | 0 | 0 | 0 | 0 | 109.1 | E19 | E19-S21 PolarHBondContact O-N 2.87Š|
| 22 | L | 57.7 | Low | 68.8 | Low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | -53.8 | 134.7 | 173.7 | -72.9 | 167.3 | 0 | 0 | 0 | 110.4 | E20 A24 | E20-L22 PolarHBondContact O-N 2.86Å; L22-A24 PolarHBondContact O-N 3.11Å |
| 23 | P | 62.3 | Low | 70.2 | Confident | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | | | trans | -60.3 | 123.4 | -179.1 | 24.4 | -32.5 | 0 | 0 | 0 | 109.4 | L25 | P23-L25 PolarHBondContact O-N 3.46Š|
| 24 | A | 63.4 | Low | 72.3 | Confident | 102 Ų | 102 | 130.6 Ų | 130.6 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | | | trans | -58.9 | 99.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L22 S26 | L22-A24 PolarHBondContact O-N 3.11Å; A24-S26 PolarHBondContact O-N 3.14Å |
| 25 | L | 73.2 | Confident | 74 | Confident | 162 Ų | 162 | 124.5 Ų | 124.5 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | | | trans | -52.8 | 113.8 | 172.3 | -74.5 | 166.5 | 0 | 0 | 0 | 107.9 | P23 L27 | P23-L25 PolarHBondContact O-N 3.46Å; L25-L27 PolarHBondContact O-N 3.1Å |
| 26 | S | 81.9 | Confident | 75.7 | Confident | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | | | trans | -68 | 96.5 | 179.6 | 71.6 | 0 | 0 | 0 | 0 | 108.7 | A24 S28 | A24-S26 PolarHBondContact O-N 3.14Å; S26-S28 PolarHBondContact O-N 2.86Å |
| 27 | L | 86.8 | Confident | 77.5 | Confident | 84 Ų | 84 | 124.1 Ų | 124.1 | 44% | 0.44 | 67% | 0.665 | S | S | . | * | | | trans | -55.6 | 133.9 | 173.8 | -70.2 | 158.3 | 0 | 0 | 0 | 109.3 | L25 Q31 R32 | L25-L27 PolarHBondContact O-N 3.1Å; L27-Q31 HydrophobicContact CB-CB 3.96Å; L27-Q31 HydrophobicContact CD2-CB 3.81Å; L27-Q31 HydrophobicContact CD2-CG 4.33Å; L27-Q31 HydrophobicContact CG-CB 4.47Å; L27-R32 HydrophobicContact CB-CG 4.03Å |
| 28 | S | 89.6 | Confident | 79.3 | Confident | 56 Ų | 56 | 121.5 Ų | 121.5 | 39% | 0.392 | 65% | 0.647 | S | S | . | * | | | trans | -58.4 | 157.5 | 173.4 | 73.1 | 0 | 0 | 0 | 0 | 110.6 | S26 T30 Q31 R32 | S26-S28 PolarHBondContact O-N 2.86Å; S28-T30 PolarHBondContact O-N 3.17Å; S28-T30 VanDerWaalsContact O-N 3.16Å; S28-Q31 VanDerWaalsContact N-OE1 3.09Å; S28-Q31 PolarHBondContact O-N 3.12Å; S28-Q31 WeakPolarHBondContact OG-CG 3.44Å; S28-Q31 PolarHBondContact OG-N 2.97Å; S28-R32 PolarHBondContact O-N 3.35Å |
| 29 | M | 87.6 | Confident | 80.7 | Confident | 148 Ų | 148 | 122.4 Ų | 122.4 | 73% | 0.729 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -55 | -36.3 | 178.2 | -165.9 | -176.3 | -118.9 | 0 | 0 | 111.5 | R32 N33 | M29-R32 PolarHBondContact O-N 3.34Å; M29-N33 WeakPolarHBondContact O-CB 3.36Å; M29-N33 VanDerWaalsContact O-CG 3.27Å; M29-N33 PolarHBondContact O-N 3.31Å; M29-N33 PolarHBondContact O-ND2 3.39Å |
| 30 | T | 86.1 | Confident | 82 | Confident | 110 Ų | 110 | 120.6 Ų | 120.6 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.5 | -44.2 | 174.6 | -46.2 | 0 | 0 | 0 | 0 | 112.3 | S28 N33 Y34 | S28-T30 PolarHBondContact O-N 3.17Å; S28-T30 VanDerWaalsContact O-N 3.16Å; T30-N33 PolarHBondContact O-N 2.98Å; T30-Y34 PolarHBondContact O-N 3.47Å |
| 31 | Q | 90 | Very high | 83 | Confident | 103 Ų | 103 | 115.6 Ų | 115.6 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.8 | -38.3 | 176.4 | -77.2 | 172.3 | -22.3 | 0 | 0 | 112.2 | L27 S28 Y34 A35 | L27-Q31 HydrophobicContact CB-CB 3.96Å; L27-Q31 HydrophobicContact CD2-CB 3.81Å; L27-Q31 HydrophobicContact CD2-CG 4.33Å; L27-Q31 HydrophobicContact CG-CB 4.47Å; S28-Q31 VanDerWaalsContact N-OE1 3.09Å; S28-Q31 PolarHBondContact O-N 3.12Å; S28-Q31 WeakPolarHBondContact OG-CG 3.44Å; S28-Q31 PolarHBondContact OG-N 2.97Å; Q31-Y34 PolarHBondContact O-N 3.18Å; Q31-A35 WeakPolarHBondContact O-CB 3.38Å; Q31-A35 PolarHBondContact O-N 3.48Å |
| 32 | R | 91.5 | Very high | 84.1 | Confident | 141 Ų | 141 | 114.1 Ų | 114.1 | 53% | 0.532 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.5 | -44.2 | 172.6 | -74.2 | -168.9 | -175.9 | 119.3 | -0.6 | 112 | L27 S28 M29 Y34 A35 Q36 | L27-R32 HydrophobicContact CB-CG 4.03Å; S28-R32 PolarHBondContact O-N 3.35Å; M29-R32 PolarHBondContact O-N 3.34Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 2.89Å; R32-A35 PolarHBondContact O-N 3.38Å; R32-Q36 WeakPolarHBondContact O-CG 3.37Å; R32-Q36 PolarHBondContact O-N 3.03Å |
| 33 | N | 90.5 | Very high | 85.3 | Confident | 78 Ų | 78 | 111.5 Ų | 111.5 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.9 | -40.3 | 177.1 | -73.5 | -20.9 | 0 | 0 | 0 | 111.8 | M29 T30 R37 | M29-N33 WeakPolarHBondContact O-CB 3.36Å; M29-N33 VanDerWaalsContact O-CG 3.27Å; M29-N33 PolarHBondContact O-N 3.31Å; M29-N33 PolarHBondContact O-ND2 3.39Å; T30-N33 PolarHBondContact O-N 2.98Å; N33-R37 WeakPolarHBondContact O-CG 3.31Å; N33-R37 PolarHBondContact O-N 3.26Å |
| 34 | Y | 91.8 | Very high | 86.4 | Confident | 161 Ų | 161 | 115.9 Ų | 115.9 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.8 | -48.5 | 174.1 | 179.3 | -93.6 | 0 | 0 | 0 | 111.8 | T30 Q31 R32 Q36 R37 F38 | T30-Y34 PolarHBondContact O-N 3.47Å; Q31-Y34 PolarHBondContact O-N 3.18Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 2.89Å; Y34-Q36 VanDerWaalsContact C-N 3.31Å; Y34-Q36 PolarHBondContact O-N 3.24Å; Y34-R37 PolarHBondContact O-N 3.27Å; Y34-R37 VanDerWaalsContact O-N 3.14Å; Y34-F38 WeakPolarHBondContact O-CB 3.44Å; Y34-F38 PolarHBondContact O-N 3.39Å |
| 35 | A | 91.7 | Very high | 87.1 | Confident | 42 Ų | 42 | 114.1 Ų | 114.1 | 35% | 0.347 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.2 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q31 R32 F38 Q39 | Q31-A35 WeakPolarHBondContact O-CB 3.38Å; Q31-A35 PolarHBondContact O-N 3.48Å; R32-A35 PolarHBondContact O-N 3.38Å; A35-F38 PolarHBondContact O-N 3.22Å; A35-Q39 PolarHBondContact O-N 2.88Å |
| 36 | Q | 94 | Very high | 86.8 | Confident | 104 Ų | 104 | 110 Ų | 110 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -42.1 | 174.2 | -77 | -175.3 | -5.6 | 0 | 0 | 112.8 | R32 Y34 F38 Q39 R40 | R32-Q36 WeakPolarHBondContact O-CG 3.37Å; R32-Q36 PolarHBondContact O-N 3.03Å; Y34-Q36 VanDerWaalsContact C-N 3.31Å; Y34-Q36 PolarHBondContact O-N 3.24Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; Q36-Q39 PolarHBondContact O-N 3.21Å; Q36-R40 WeakPolarHBondContact O-CG 3.47Å; Q36-R40 PolarHBondContact O-N 3.37Å |
| 37 | R | 90.4 | Very high | 85.5 | Confident | 191 Ų | 191 | 108.5 Ų | 108.5 | 72% | 0.721 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 175 | -74.4 | -179.4 | -171.5 | -173.6 | 2.5 | 111.4 | N33 Y34 R40 F41 | N33-R37 WeakPolarHBondContact O-CG 3.31Å; N33-R37 PolarHBondContact O-N 3.26Å; Y34-R37 PolarHBondContact O-N 3.27Å; Y34-R37 VanDerWaalsContact O-N 3.14Å; R37-R40 PolarHBondContact O-N 3.14Å; R37-F41 WeakPolarHBondContact O-CB 3.4Å; R37-F41 PolarHBondContact O-N 2.74Å |
| 38 | F | 89.7 | Confident | 83.9 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 40% | 0.395 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 177.3 | -172 | -107.4 | 0 | 0 | 0 | 111.9 | Y34 A35 Q36 R40 F41 L42 | Y34-F38 WeakPolarHBondContact O-CB 3.44Å; Y34-F38 PolarHBondContact O-N 3.39Å; A35-F38 PolarHBondContact O-N 3.22Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; F38-R40 PolarHBondContact O-N 3.47Å; F38-F41 WeakPolarHBondContact O-CB 3.4Å; F38-F41 PolarHBondContact O-N 3.4Å; F38-F41 VanDerWaalsContact O-N 3.15Å; F38-L42 HydrophobicContact CD1-CD1 3.92Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.53Å; F38-L42 HydrophobicContact CE1-CD2 4.49Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 4.11Å; F38-L42 HydrophobicContact CZ-CD2 4.25Å; F38-L42 HydrophobicContact CZ-CG 4.27Å; F38-L42 WeakPolarHBondContact O-CG 3.44Å; F38-L42 PolarHBondContact O-N 3.27Å |
| 39 | Q | 90.9 | Very high | 82.2 | Confident | 140 Ų | 140 | 113.4 Ų | 113.4 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.2 | -42.8 | 172.5 | -80.2 | -170.6 | -18 | 0 | 0 | 112.5 | A35 Q36 F41 L42 S43 | A35-Q39 PolarHBondContact O-N 2.88Å; Q36-Q39 PolarHBondContact O-N 3.21Å; Q39-F41 VanDerWaalsContact C-N 3.25Å; Q39-F41 PolarHBondContact O-N 3.17Å; Q39-L42 PolarHBondContact O-N 3.07Å; Q39-S43 WeakPolarHBondContact O-CB 3.33Å; Q39-S43 PolarHBondContact O-N 3.02Å; Q39-S43 PolarHBondContact O-OG 3.03Å |
| 40 | R | 88.7 | Confident | 80.5 | Confident | 159 Ų | 159 | 111.6 Ų | 111.6 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -31.3 | 174.3 | -73.9 | 180 | -174.1 | 170.4 | 3.6 | 112.8 | Q36 R37 F38 S43 R44 | Q36-R40 WeakPolarHBondContact O-CG 3.47Å; Q36-R40 PolarHBondContact O-N 3.37Å; R37-R40 PolarHBondContact O-N 3.14Å; F38-R40 PolarHBondContact O-N 3.47Å; R40-S43 WeakPolarHBondContact CA-OG 3.5Å; R40-S43 PolarHBondContact O-OG 3.31Å; R40-R44 VanDerWaalsContact O-CG 3.31Å; R40-R44 WeakPolarHBondContact O-CG 3.42Å; R40-R44 PolarHBondContact O-N 2.98Å |
| 41 | F | 82 | Confident | 78.5 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 34% | 0.338 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.6 | -46.4 | 175.9 | 179 | -102.4 | 0 | 0 | 0 | 111.3 | R37 F38 Q39 S43 R44 V46 P48 | R37-F41 WeakPolarHBondContact O-CB 3.4Å; R37-F41 PolarHBondContact O-N 2.74Å; F38-F41 WeakPolarHBondContact O-CB 3.4Å; F38-F41 PolarHBondContact O-N 3.4Å; F38-F41 VanDerWaalsContact O-N 3.15Å; Q39-F41 VanDerWaalsContact C-N 3.25Å; Q39-F41 PolarHBondContact O-N 3.17Å; F41-S43 PolarHBondContact O-N 3.34Å; F41-R44 PolarHBondContact O-N 3.39Å; F41-V46 WeakPolarHBondContact CD1-O 2.9Å; F41-V46 HydrophobicContact CD2-CB 4.39Å; F41-V46 HydrophobicContact CE1-CB 4.44Å; F41-V46 WeakPolarHBondContact CE1-O 3.49Å; F41-V46 HydrophobicContact CE2-CB 3.82Å; F41-V46 HydrophobicContact CE2-CG1 3.81Å; F41-V46 HydrophobicContact CZ-CB 3.85Å; F41-V46 HydrophobicContact CZ-CG1 3.69Å; F41-V46 VanDerWaalsContact CZ-O 3.22Å; F41-V46 WeakPolarHBondContact CZ-O 3.22Å; F41-P48 HydrophobicContact CE1-CB 4.34Å; F41-P48 HydrophobicContact CE1-CG 4.01Å |
| 42 | L | 85.8 | Confident | 76.4 | Confident | 79 Ų | 79 | 110 Ų | 110 | 41% | 0.414 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.6 | -41.1 | 174.2 | -67.6 | 179.5 | 0 | 0 | 0 | 112.1 | F38 Q39 R44 G45 | F38-L42 HydrophobicContact CD1-CD1 3.92Å; F38-L42 HydrophobicContact CD1-CG 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.53Å; F38-L42 HydrophobicContact CE1-CD2 4.49Å; F38-L42 HydrophobicContact CE1-CG 4.08Å; F38-L42 HydrophobicContact CZ-CD1 4.11Å; F38-L42 HydrophobicContact CZ-CD2 4.25Å; F38-L42 HydrophobicContact CZ-CG 4.27Å; F38-L42 WeakPolarHBondContact O-CG 3.44Å; F38-L42 PolarHBondContact O-N 3.27Å; Q39-L42 PolarHBondContact O-N 3.07Å; L42-R44 PolarHBondContact O-N 2.94Å; L42-G45 PolarHBondContact O-N 3.36Å |
| 43 | S | 83.5 | Confident | 74.2 | Confident | 97 Ų | 97 | 115.2 Ų | 115.2 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.2 | -19 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 113.6 | Q39 R40 F41 G45 | Q39-S43 WeakPolarHBondContact O-CB 3.33Å; Q39-S43 PolarHBondContact O-N 3.02Å; Q39-S43 PolarHBondContact O-OG 3.03Å; R40-S43 WeakPolarHBondContact CA-OG 3.5Å; R40-S43 PolarHBondContact O-OG 3.31Å; F41-S43 PolarHBondContact O-N 3.34Å; S43-G45 PolarHBondContact O-N 3.47Å |
| 44 | R | 85.5 | Confident | 72.3 | Confident | 203 Ų | 203 | 122.4 Ų | 122.4 | 77% | 0.766 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 1.5 | 173.1 | -74.1 | 174 | 178.4 | -173.6 | -0.7 | 113.1 | R40 F41 L42 V46 | R40-R44 VanDerWaalsContact O-CG 3.31Å; R40-R44 WeakPolarHBondContact O-CG 3.42Å; R40-R44 PolarHBondContact O-N 2.98Å; F41-R44 PolarHBondContact O-N 3.39Å; L42-R44 PolarHBondContact O-N 2.94Å; R44-V46 HydrophobicContact CB-CG2 4.16Å; R44-V46 PolarHBondContact O-N 3.14Å |
| 45 | G | 77 | Confident | 70.3 | Confident | 66 Ų | 66 | 120.3 Ų | 120.3 | 68% | 0.68 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.7 | 12 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L42 S43 S47 | L42-G45 PolarHBondContact O-N 3.36Å; S43-G45 PolarHBondContact O-N 3.47Å; G45-S47 PolarHBondContact O-N 3.04Å |
| 46 | V | 67.1 | Low | 68.4 | Low | 75 Ų | 75 | 125.6 Ų | 125.6 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | | | trans | -93.5 | 77 | 179.4 | -162.6 | 0 | 0 | 0 | 0 | 108 | F41 R44 | F41-V46 WeakPolarHBondContact CD1-O 2.9Å; F41-V46 HydrophobicContact CD2-CB 4.39Å; F41-V46 HydrophobicContact CE1-CB 4.44Å; F41-V46 WeakPolarHBondContact CE1-O 3.49Å; F41-V46 HydrophobicContact CE2-CB 3.82Å; F41-V46 HydrophobicContact CE2-CG1 3.81Å; F41-V46 HydrophobicContact CZ-CB 3.85Å; F41-V46 HydrophobicContact CZ-CG1 3.69Å; F41-V46 VanDerWaalsContact CZ-O 3.22Å; F41-V46 WeakPolarHBondContact CZ-O 3.22Å; R44-V46 HydrophobicContact CB-CG2 4.16Å; R44-V46 PolarHBondContact O-N 3.14Å |
| 47 | S | 55.4 | Low | 66.6 | Low | 75 Ų | 75 | 129.9 Ų | 129.9 | 52% | 0.524 | 67% | 0.672 | S | S | . | * | | | trans | -76 | 122.9 | 172.7 | -161.8 | 0 | 0 | 0 | 0 | 108.8 | G45 L49 | G45-S47 PolarHBondContact O-N 3.04Å; S47-L49 PolarHBondContact O-N 3.16Å; S47-L49 VanDerWaalsContact O-N 3.11Å |
| 48 | P | 53.7 | Low | 64.7 | Low | 88 Ų | 88 | 127.3 Ų | 127.3 | 57% | 0.571 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -77.6 | 5.9 | -172.9 | 28.7 | -27.1 | 0 | 0 | 0 | 113.4 | F41 | F41-P48 HydrophobicContact CE1-CB 4.34Å; F41-P48 HydrophobicContact CE1-CG 4.01Å |
| 49 | L | 53.9 | Low | 62.8 | Low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -153.5 | 56.2 | -166.6 | -103.2 | 149.5 | 0 | 0 | 0 | 112.7 | S47 | S47-L49 PolarHBondContact O-N 3.16Å; S47-L49 VanDerWaalsContact O-N 3.11Å |
| 50 | V | 50.6 | Low | 60.8 | Low | 110 Ų | 110 | 126.7 Ų | 126.7 | 67% | 0.667 | 70% | 0.703 | S | S | * | * | | | trans | -144 | 94 | 160.2 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | A52 | V50-A52 HydrophobicContact CG1-CB 4.04Å; V50-A52 PolarHBondContact O-N 2.92Å |
| 51 | A | 44 | Very low | 59 | Low | 108 Ų | 108 | 122.8 Ų | 122.8 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | | | trans | -71.3 | 84.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | R53 | A51-R53 PolarHBondContact O-N 2.9Š|
| 52 | A | 47.3 | Very low | 57.4 | Low | 71 Ų | 71 | 128.1 Ų | 128.1 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | trans | -73.7 | 97.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V50 R54 | V50-A52 HydrophobicContact CG1-CB 4.04Å; V50-A52 PolarHBondContact O-N 2.92Å; A52-R54 PolarHBondContact O-N 3.15Å |
| 53 | R | 45.7 | Very low | 56.1 | Low | 252 Ų | 252 | 132.3 Ų | 132.3 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | | | trans | -57.9 | 113.5 | 155.4 | -85.8 | -175.4 | 171.6 | -172.4 | -1.5 | 107.6 | A51 | A51-R53 PolarHBondContact O-N 2.9Š|
| 54 | R | 48.6 | Very low | 54.4 | Low | 229 Ų | 229 | 135.4 Ų | 135.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -100.2 | 124.4 | 164.2 | -76.8 | -173.5 | 174.5 | 174.7 | -1.2 | 108.7 | A52 | A52-R54 PolarHBondContact O-N 3.15Š|
| 55 | S | 50 | Low | 52.7 | Low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -70.5 | 125.8 | 169 | 41.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 56 | D | 52 | Low | 51.3 | Low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -85.3 | 112.3 | 171.8 | -74.8 | -32 | 0 | 0 | 0 | 109.5 | | |
| 57 | E | 57 | Low | 50.3 | Low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -98.3 | 114.1 | 159.2 | -75.3 | -172.8 | 163.4 | 0 | 0 | 108.6 | | |
| 58 | T | 49.5 | Very low | 49.8 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -95.6 | 114.4 | 177.2 | 44.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 59 | G | 50.9 | Low | 49.5 | Very low | 64 Ų | 64 | 147 Ų | 147 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | | | trans | -127.4 | 100.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 60 | T | 48.8 | Very low | 49 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | | | | 49 | 122.8 | 129.3 | 55.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 61 | G | 51 | Low | 48.3 | Very low | 78 Ų | 78 | 149 Ų | 149 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | trans | 167 | 83.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 62 | K | 48.1 | Very low | 48.5 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | trans | -66.7 | 143.2 | 164.2 | -73.3 | 175.1 | 173.6 | 176.4 | 0 | 107.8 | | |
| 63 | D | 58.5 | Low | 48.4 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | | | | -163.9 | 125.1 | 129.3 | -85.9 | -26.6 | 0 | 0 | 0 | 109.8 | | |
| 64 | D | 46.9 | Very low | 48.4 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | | | trans | -79.2 | 135.6 | 179.9 | -70.3 | -57.2 | 0 | 0 | 0 | 110.3 | | |
| 65 | A | 50 | Low | 48.6 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | | | trans | -144.8 | 112.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 66 | Q | 47.6 | Very low | 48.6 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | | | trans | -54.5 | 139.4 | 171.1 | -72.2 | 164.9 | -68.4 | 0 | 0 | 111.4 | | |
| 67 | S | 47.7 | Very low | 48.5 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | | | trans | -144.6 | 108.9 | 152.2 | -72 | 0 | 0 | 0 | 0 | 108.6 | | |
| 68 | Q | 45 | Very low | 48.1 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | | | trans | -61.5 | 133.6 | 170.7 | -63.1 | 173.8 | -1 | 0 | 0 | 108.8 | | |
| 69 | L | 45.8 | Very low | 48 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 93% | 0.927 | 83% | 0.832 | S | S | * | * | | | trans | -120.3 | 130.5 | 160.5 | -78.9 | 175.2 | 0 | 0 | 0 | 109.1 | | |
| 70 | Q | 43.4 | Very low | 48.1 | Very low | 183 Ų | 183 | 153.7 Ų | 153.7 | 86% | 0.855 | 85% | 0.845 | S | S | * | * | | | trans | -67.9 | 142.9 | -169.4 | -70.2 | 169.5 | -44.5 | 0 | 0 | 112.2 | | |
| 71 | S | 36.2 | Very low | 47.9 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | | | trans | -69 | 125.7 | 167.6 | -156.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 72 | V | 48.1 | Very low | 48.1 | Very low | 136 Ų | 136 | 155.7 Ų | 155.7 | 82% | 0.824 | 84% | 0.844 | S | S | * | * | | | trans | -108.6 | 122.5 | 167.2 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 73 | S | 46.5 | Very low | 48.2 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 72% | 0.72 | 85% | 0.848 | S | S | * | * | | | trans | -68.9 | 131.2 | -175.4 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 74 | E | 44.2 | Very low | 47.4 | Very low | 186 Ų | 186 | 156 Ų | 156 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | | | trans | 8.7 | 120.6 | 131.7 | -118 | 164.3 | -176.2 | 0 | 0 | 118.1 | | |
| 75 | F | 54.3 | Low | 47.8 | Very low | 215 Ų | 215 | 158.4 Ų | 158.4 | 94% | 0.943 | 84% | 0.843 | S | S | * | * | | | trans | -139.6 | 120 | 155.5 | -132.1 | -88.9 | 0 | 0 | 0 | 107.6 | | |
| 76 | E | 50.1 | Low | 47.4 | Very low | 169 Ų | 169 | 162.6 Ų | 162.6 | 79% | 0.79 | 84% | 0.843 | S | S | * | * | | | trans | -141.6 | 167.1 | 174.9 | -132.1 | -128.3 | 175.6 | 0 | 0 | 106.6 | | |
| 77 | P | 47.8 | Very low | 47.4 | Very low | 99 Ų | 99 | 157.7 Ų | 157.7 | 64% | 0.643 | 84% | 0.841 | S | S | * | * | | | | -124.7 | 170.7 | -72.3 | 38.5 | -25.3 | 0 | 0 | 0 | 110.9 | | |
| 78 | S | 50 | Low | 46.9 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | | | trans | -127.2 | 114.2 | 164.8 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 79 | Q | 46.8 | Very low | 47.1 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | | | trans | -52.8 | 139.3 | 167.6 | -71.9 | 175.8 | -34.4 | 0 | 0 | 111.6 | | |
| 80 | E | 52.5 | Low | 46.8 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 94% | 0.935 | 84% | 0.835 | S | S | * | * | | | trans | -146.2 | 129.5 | 143 | -125.9 | 173.2 | -167 | 0 | 0 | 111.1 | | |
| 81 | A | 46.2 | Very low | 46.7 | Very low | 95 Ų | 95 | 152.8 Ų | 152.8 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | | | trans | -85.6 | 134 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 82 | L | 53.7 | Low | 47.3 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 94% | 0.937 | 83% | 0.829 | S | S | * | * | | | trans | -133.1 | 119.3 | 159.3 | -98.8 | 166 | 0 | 0 | 0 | 111.2 | | |
| 83 | K | 50.1 | Low | 46.9 | Very low | 206 Ų | 206 | 154 Ų | 154 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | | | trans | -58.4 | 138.6 | -174.7 | -90 | 169.9 | 166.7 | 172.6 | 0 | 114 | | |
| 84 | E | 42.8 | Very low | 46.7 | Very low | 157 Ų | 157 | 154 Ų | 154 | 73% | 0.734 | 83% | 0.832 | S | S | * | * | | | trans | -50.8 | 141.1 | 157.4 | -66.7 | 174.7 | 135.2 | 0 | 0 | 113 | | |
| 85 | K | 54 | Low | 46.8 | Very low | 211 Ų | 211 | 150.8 Ų | 150.8 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | | | trans | -135.6 | 98.9 | 145.2 | -92.2 | -168 | 175.9 | -174.7 | 0 | 109 | | |
| 86 | F | 41.8 | Very low | 46.3 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 82% | 0.82 | 82% | 0.821 | S | S | * | * | | | trans | -67.4 | 122.3 | 160.6 | -87.5 | -91.7 | 0 | 0 | 0 | 109.3 | | |
| 87 | G | 47.8 | Very low | 46.1 | Very low | 77 Ų | 77 | 146.8 Ų | 146.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | -116.7 | 100.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 88 | S | 38.5 | Very low | 46.1 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | | | trans | -69 | 126.2 | 167.7 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 89 | S | 48.7 | Very low | 45.9 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -139.8 | 112.2 | 152.6 | -165.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 90 | Q | 39.2 | Very low | 45.9 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | | | trans | -63.9 | 170.8 | 158.6 | -79.5 | 173.8 | -89.3 | 0 | 0 | 110 | | |
| 91 | D | 40.5 | Very low | 45.7 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | | | trans | 94.6 | 104.3 | 164.3 | -50 | -27.2 | 0 | 0 | 0 | 114.9 | | |
| 92 | S | 49.6 | Very low | 46.2 | Very low | 118 Ų | 118 | 148 Ų | 148 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | | 178.1 | 116.7 | 126.9 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | S94 | S92-S94 PolarHBondContact O-N 3.41Å; S92-S94 VanDerWaalsContact O-N 3.15Å |
| 93 | N | 39 | Very low | 46.7 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | -58.6 | 107.7 | 168.5 | -65.2 | -46 | 0 | 0 | 0 | 110.3 | | |
| 94 | S | 42.8 | Very low | 47.5 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -101.9 | 96.8 | 174 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | S92 F96 | S92-S94 PolarHBondContact O-N 3.41Å; S92-S94 VanDerWaalsContact O-N 3.15Å; S94-F96 PolarHBondContact O-N 2.85Å |
| 95 | V | 45.8 | Very low | 49 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | trans | -67.5 | 116.5 | 168.2 | 172.5 | 0 | 0 | 0 | 0 | 108.4 | T97 | V95-T97 HydrophobicContact CG1-CG2 4.27Å; V95-T97 PolarHBondContact O-N 2.93Å; V95-T97 VanDerWaalsContact O-N 3.16Å |
| 96 | F | 43.8 | Very low | 49.7 | Very low | 196 Ų | 196 | 132 Ų | 132 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -73.4 | 100.1 | 171.3 | -96 | -91.8 | 0 | 0 | 0 | 109.1 | S94 | S94-F96 PolarHBondContact O-N 2.85Š|
| 97 | T | 47.3 | Very low | 51.9 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | | | trans | -85.5 | 130.9 | 162.9 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | V95 S99 | V95-T97 HydrophobicContact CG1-CG2 4.27Å; V95-T97 PolarHBondContact O-N 2.93Å; V95-T97 VanDerWaalsContact O-N 3.16Å; T97-S99 PolarHBondContact O-N 3.48Å |
| 98 | D | 46.3 | Very low | 53.9 | Low | 171 Ų | 171 | 124.3 Ų | 124.3 | 91% | 0.914 | 72% | 0.716 | S | S | * | * | | | trans | -57 | 99.7 | 170 | -103.6 | -29.4 | 0 | 0 | 0 | 109.1 | | |
| 99 | S | 46.6 | Very low | 56.2 | Low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 70% | 0.704 | S | S | * | * | | | trans | -146.5 | 118.2 | 173 | -52.8 | 0 | 0 | 0 | 0 | 107.2 | T97 S101 | T97-S99 PolarHBondContact O-N 3.48Å; S99-S101 PolarHBondContact O-N 2.82Å; S99-S101 PolarHBondContact O-OG 3.19Å |
| 100 | Q | 47.7 | Very low | 57.8 | Low | 211 Ų | 211 | 122.9 Ų | 122.9 | 99% | 0.986 | 69% | 0.693 | S | S | * | * | | | trans | -60.7 | 72.2 | -176.6 | -152.1 | 170.4 | 25 | 0 | 0 | 110.6 | | |
| 101 | S | 47.3 | Very low | 60.1 | Low | 93 Ų | 93 | 120 Ų | 120 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | | | trans | -97.6 | 124.4 | 178.3 | 53.8 | 0 | 0 | 0 | 0 | 109.2 | S99 I103 | S99-S101 PolarHBondContact O-N 2.82Å; S99-S101 PolarHBondContact O-OG 3.19Å; S101-I103 PolarHBondContact O-N 2.86Å; S101-I103 VanDerWaalsContact O-N 3.14Å |
| 102 | Q | 57.5 | Low | 62.4 | Low | 176 Ų | 176 | 119.1 Ų | 119.1 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | | | trans | -60.9 | 113.6 | 174.9 | -68.8 | 178.7 | -0.5 | 0 | 0 | 108.9 | N104 | Q102-N104 PolarHBondContact O-N 3.34Š|
| 103 | I | 63.9 | Low | 64.1 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 52% | 0.523 | 65% | 0.649 | S | S | . | * | | | trans | -76.1 | 97 | 173.7 | -53.6 | 176.6 | 0 | 0 | 0 | 107.4 | S101 V105 Y119 | S101-I103 PolarHBondContact O-N 2.86Å; S101-I103 VanDerWaalsContact O-N 3.14Å; I103-V105 HydrophobicContact CB-CG2 4.48Å; I103-V105 HydrophobicContact CG2-CG2 3.5Å; I103-V105 VanDerWaalsContact CG2-CG2 3.5Å; I103-V105 PolarHBondContact O-N 3.11Å; I103-Y119 HydrophobicContact CD1-CD1 4.47Å; I103-Y119 HydrophobicContact CD1-CD2 3.54Å; I103-Y119 HydrophobicContact CD1-CE1 4.48Å; I103-Y119 HydrophobicContact CD1-CE2 3.54Å; I103-Y119 HydrophobicContact CD1-CG 4.03Å |
| 104 | N | 66.3 | Low | 66.5 | Low | 144 Ų | 144 | 115.7 Ų | 115.7 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | | | trans | -73.4 | 89.9 | 168.4 | -78.8 | -27.3 | 0 | 0 | 0 | 109.2 | Q102 S106 | Q102-N104 PolarHBondContact O-N 3.34Å; N104-S106 PolarHBondContact O-N 2.89Å |
| 105 | V | 74.3 | Confident | 68.6 | Low | 52 Ų | 52 | 112.6 Ų | 112.6 | 32% | 0.315 | 61% | 0.614 | S | S | . | * | | | trans | -84.2 | 102.5 | 171.1 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | I103 R112 A115 | I103-V105 HydrophobicContact CB-CG2 4.48Å; I103-V105 HydrophobicContact CG2-CG2 3.5Å; I103-V105 VanDerWaalsContact CG2-CG2 3.5Å; I103-V105 PolarHBondContact O-N 3.11Å; V105-R112 HydrophobicContact CB-CG 4.13Å; V105-R112 HydrophobicContact CG1-CG 4.04Å; V105-R112 WeakPolarHBondContact O-CD 3.3Å; V105-R112 WeakPolarHBondContact O-CG 3.37Å; V105-A115 HydrophobicContact CG1-CB 3.86Å; V105-A115 HydrophobicContact CG2-CB 4.01Å |
| 106 | S | 69.7 | Low | 70.6 | Confident | 119 Ų | 119 | 111.8 Ų | 111.8 | 83% | 0.832 | 61% | 0.605 | S | S | * | * | | | trans | -73.3 | 124.4 | 165.1 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | N104 | N104-S106 PolarHBondContact O-N 2.89Š|
| 107 | G | 87.1 | Confident | 72.7 | Confident | 29 Ų | 29 | 110.5 Ų | 110.5 | 30% | 0.299 | 60% | 0.595 | S | S | . | * | S | Bend | trans | 171 | 171 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E111 R112 | G107-E111 VanDerWaalsContact CA-OE2 3.27Å; G107-E111 WeakPolarHBondContact CA-OE2 3.4Å; G107-R112 PolarHBondContact O-NE 2.93Å |
| 108 | T | 90.5 | Very high | 74.6 | Confident | 73 Ų | 73 | 109.5 Ų | 109.5 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | | | trans | -55.8 | 155.8 | 169.5 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | I110 E111 R112 | T108-I110 PolarHBondContact O-N 2.83Å; T108-I110 VanDerWaalsContact O-N 3.08Å; T108-E111 PolarHBondContact N-OE2 3.01Å; T108-E111 PolarHBondContact O-N 3.05Å; T108-E111 WeakPolarHBondContact OG1-CG 3.28Å; T108-E111 PolarHBondContact OG1-N 3.22Å; T108-E111 PolarHBondContact OG1-OE2 2.76Å; T108-R112 PolarHBondContact O-N 2.85Å |
| 109 | P | 86.4 | Confident | 76.7 | Confident | 95 Ų | 95 | 107 Ų | 107 | 62% | 0.617 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -51.4 | -33.9 | 177.3 | -28.1 | 35.6 | 0 | 0 | 0 | 113.5 | Q113 | P109-Q113 PolarHBondContact O-N 3.43Å; P109-Q113 VanDerWaalsContact O-N 3.08Å |
| 110 | I | 82.8 | Confident | 78.6 | Confident | 117 Ų | 117 | 108.8 Ų | 108.8 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.7 | -45.9 | 178.2 | -62.1 | 171.3 | 0 | 0 | 0 | 111.2 | T108 R112 Q113 L114 | T108-I110 PolarHBondContact O-N 2.83Å; T108-I110 VanDerWaalsContact O-N 3.08Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 3.4Å; I110-Q113 PolarHBondContact O-N 2.99Å; I110-L114 HydrophobicContact CG2-CD1 4.1Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.37Å |
| 111 | E | 87.4 | Confident | 80.4 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.6 | -72.9 | 166.5 | 158.7 | 0 | 0 | 111.6 | G107 T108 Q113 L114 A115 | G107-E111 VanDerWaalsContact CA-OE2 3.27Å; G107-E111 WeakPolarHBondContact CA-OE2 3.4Å; T108-E111 PolarHBondContact N-OE2 3.01Å; T108-E111 PolarHBondContact O-N 3.05Å; T108-E111 WeakPolarHBondContact OG1-CG 3.28Å; T108-E111 PolarHBondContact OG1-N 3.22Å; T108-E111 PolarHBondContact OG1-OE2 2.76Å; E111-Q113 VanDerWaalsContact C-N 3.35Å; E111-Q113 PolarHBondContact O-N 3.22Å; E111-L114 PolarHBondContact O-N 2.99Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.31Å |
| 112 | R | 88.1 | Confident | 82.2 | Confident | 127 Ų | 127 | 100.6 Ų | 100.6 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.1 | -77.4 | -170.6 | -90.8 | 169 | -4 | 112 | V105 G107 T108 I110 A115 L116 | V105-R112 HydrophobicContact CB-CG 4.13Å; V105-R112 HydrophobicContact CG1-CG 4.04Å; V105-R112 WeakPolarHBondContact O-CD 3.3Å; V105-R112 WeakPolarHBondContact O-CG 3.37Å; G107-R112 PolarHBondContact O-NE 2.93Å; T108-R112 PolarHBondContact O-N 2.85Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 3.4Å; R112-A115 PolarHBondContact O-N 2.85Å; R112-L116 WeakPolarHBondContact O-CB 3.45Å; R112-L116 PolarHBondContact O-N 2.98Å |
| 113 | Q | 86.4 | Confident | 83.3 | Confident | 104 Ų | 104 | 94.4 Ų | 94.4 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 178.2 | -163.3 | 177.2 | 19.8 | 0 | 0 | 112.3 | P109 I110 E111 L116 R117 | P109-Q113 PolarHBondContact O-N 3.43Å; P109-Q113 VanDerWaalsContact O-N 3.08Å; I110-Q113 PolarHBondContact O-N 2.99Å; E111-Q113 VanDerWaalsContact C-N 3.35Å; E111-Q113 PolarHBondContact O-N 3.22Å; Q113-L116 PolarHBondContact O-N 3.46Å; Q113-R117 PolarHBondContact O-N 3.16Å |
| 114 | L | 88.1 | Confident | 84 | Confident | 110 Ų | 110 | 91.9 Ų | 91.9 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 174.6 | -75.8 | 169.6 | 0 | 0 | 0 | 111.9 | I110 E111 R117 S118 | I110-L114 HydrophobicContact CG2-CD1 4.1Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.37Å; E111-L114 PolarHBondContact O-N 2.99Å; L114-R117 PolarHBondContact O-N 2.89Å; L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 2.86Å |
| 115 | A | 87.1 | Confident | 84.6 | Confident | 36 Ų | 36 | 88.8 Ų | 88.8 | 30% | 0.298 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V105 E111 R112 S118 Y119 | V105-A115 HydrophobicContact CG1-CB 3.86Å; V105-A115 HydrophobicContact CG2-CB 4.01Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.31Å; R112-A115 PolarHBondContact O-N 2.85Å; A115-S118 PolarHBondContact O-N 3.16Å; A115-Y119 WeakPolarHBondContact O-CB 3.27Å; A115-Y119 PolarHBondContact O-N 3.08Å |
| 116 | L | 88.5 | Confident | 84.6 | Confident | 101 Ų | 101 | 89 Ų | 89 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.1 | -101.7 | 152 | 0 | 0 | 0 | 112.2 | R112 Q113 Y119 Q120 | R112-L116 WeakPolarHBondContact O-CB 3.45Å; R112-L116 PolarHBondContact O-N 2.98Å; Q113-L116 PolarHBondContact O-N 3.46Å; L116-Y119 PolarHBondContact O-N 3.25Å; L116-Q120 WeakPolarHBondContact O-CB 3.48Å; L116-Q120 WeakPolarHBondContact O-CG 3.44Å; L116-Q120 PolarHBondContact O-N 2.89Å |
| 117 | R | 88.4 | Confident | 84.8 | Confident | 169 Ų | 169 | 92.4 Ų | 92.4 | 64% | 0.638 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 175.9 | -81.2 | -172 | 172.4 | -175 | 0 | 112.4 | Q113 L114 Q120 S121 | Q113-R117 PolarHBondContact O-N 3.16Å; L114-R117 PolarHBondContact O-N 2.89Å; R117-Q120 PolarHBondContact O-N 3.38Å; R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.32Å; R117-S121 PolarHBondContact O-N 2.93Å |
| 118 | S | 87 | Confident | 84.2 | Confident | 83 Ų | 83 | 96.6 Ų | 96.6 | 58% | 0.58 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -44.3 | 176.9 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | L114 A115 S121 A122 | L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 2.86Å; A115-S118 PolarHBondContact O-N 3.16Å; S118-S121 PolarHBondContact O-N 2.65Å; S118-A122 WeakPolarHBondContact O-CB 3.34Å; S118-A122 PolarHBondContact O-N 3.19Å |
| 119 | Y | 88.9 | Confident | 83.3 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 175.9 | 178.6 | -99.9 | 0 | 0 | 0 | 112.4 | I103 A115 L116 S121 A122 V123 | I103-Y119 HydrophobicContact CD1-CD1 4.47Å; I103-Y119 HydrophobicContact CD1-CD2 3.54Å; I103-Y119 HydrophobicContact CD1-CE1 4.48Å; I103-Y119 HydrophobicContact CD1-CE2 3.54Å; I103-Y119 HydrophobicContact CD1-CG 4.03Å; A115-Y119 WeakPolarHBondContact O-CB 3.27Å; A115-Y119 PolarHBondContact O-N 3.08Å; L116-Y119 PolarHBondContact O-N 3.25Å; Y119-S121 VanDerWaalsContact C-N 3.31Å; Y119-S121 PolarHBondContact O-N 3.49Å; Y119-A122 PolarHBondContact O-N 3.08Å; Y119-V123 HydrophobicContact CD1-CG2 4.31Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.15Å; Y119-V123 WeakPolarHBondContact O-CG2 3.48Å; Y119-V123 PolarHBondContact O-N 3.48Å |
| 120 | Q | 86.9 | Confident | 82.2 | Confident | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -40.9 | 177.1 | -74.4 | 176.7 | -14 | 0 | 0 | 112.1 | L116 R117 V123 A124 | L116-Q120 WeakPolarHBondContact O-CB 3.48Å; L116-Q120 WeakPolarHBondContact O-CG 3.44Å; L116-Q120 PolarHBondContact O-N 2.89Å; R117-Q120 PolarHBondContact O-N 3.38Å; Q120-V123 PolarHBondContact O-N 3.1Å; Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.07Å |
| 121 | S | 86.7 | Confident | 81.1 | Confident | 72 Ų | 72 | 101.1 Ų | 101.1 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | R117 S118 Y119 V123 A124 M125 | R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.32Å; R117-S121 PolarHBondContact O-N 2.93Å; S118-S121 PolarHBondContact O-N 2.65Å; Y119-S121 VanDerWaalsContact C-N 3.31Å; Y119-S121 PolarHBondContact O-N 3.49Å; S121-V123 PolarHBondContact O-N 3.2Å; S121-A124 PolarHBondContact O-N 3.34Å; S121-M125 WeakPolarHBondContact O-CB 3.44Å; S121-M125 VanDerWaalsContact O-CG 3.26Å; S121-M125 WeakPolarHBondContact O-CG 3.45Å; S121-M125 PolarHBondContact O-N 3.47Å |
| 122 | A | 84.3 | Confident | 79.8 | Confident | 59 Ų | 59 | 103.1 Ų | 103.1 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S118 Y119 M125 A126 | S118-A122 WeakPolarHBondContact O-CB 3.34Å; S118-A122 PolarHBondContact O-N 3.19Å; Y119-A122 PolarHBondContact O-N 3.08Å; A122-M125 PolarHBondContact O-N 2.92Å; A122-A126 WeakPolarHBondContact O-CB 3.33Å; A122-A126 PolarHBondContact O-N 3.41Å |
| 123 | V | 79.7 | Confident | 78.3 | Confident | 46 Ų | 46 | 102.3 Ų | 102.3 | 28% | 0.279 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | Y119 Q120 S121 M125 A126 R127 | Y119-V123 HydrophobicContact CD1-CG2 4.31Å; Y119-V123 HydrophobicContact CE1-CG2 3.89Å; Y119-V123 HydrophobicContact CE2-CG2 4.15Å; Y119-V123 WeakPolarHBondContact O-CG2 3.48Å; Y119-V123 PolarHBondContact O-N 3.48Å; Q120-V123 PolarHBondContact O-N 3.1Å; S121-V123 PolarHBondContact O-N 3.2Å; V123-M125 VanDerWaalsContact C-N 3.35Å; V123-M125 PolarHBondContact O-N 3.01Å; V123-A126 PolarHBondContact O-N 3.44Å; V123-R127 WeakPolarHBondContact O-CG 3.38Å; V123-R127 PolarHBondContact O-N 3.08Å |
| 124 | A | 78.7 | Confident | 76.4 | Confident | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q120 S121 R127 L128 | Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.07Å; S121-A124 PolarHBondContact O-N 3.34Å; A124-R127 PolarHBondContact O-N 2.98Å; A124-L128 PolarHBondContact O-N 3.35Å |
| 125 | M | 80 | Confident | 74.5 | Confident | 79 Ų | 79 | 105.7 Ų | 105.7 | 39% | 0.389 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.2 | -34.2 | 177.1 | -69 | -60.9 | -71.5 | 0 | 0 | 112.7 | S121 A122 V123 L128 K129 F290 | S121-M125 WeakPolarHBondContact O-CB 3.44Å; S121-M125 VanDerWaalsContact O-CG 3.26Å; S121-M125 WeakPolarHBondContact O-CG 3.45Å; S121-M125 PolarHBondContact O-N 3.47Å; A122-M125 PolarHBondContact O-N 2.92Å; V123-M125 VanDerWaalsContact C-N 3.35Å; V123-M125 PolarHBondContact O-N 3.01Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-L128 HydrophobicContact SD-CD1 4.34Å; M125-K129 PolarHBondContact O-N 3.41Å; M125-F290 HydrophobicContact CE-CE1 4.48Å; M125-F290 HydrophobicContact CE-CZ 4.2Å; M125-F290 HydrophobicContact SD-CE1 4.41Å; M125-F290 HydrophobicContact SD-CZ 4.18Å |
| 126 | A | 74.8 | Confident | 72.4 | Confident | 56 Ų | 56 | 111.8 Ų | 111.8 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.5 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A122 V123 L128 K129 N130 | A122-A126 WeakPolarHBondContact O-CB 3.33Å; A122-A126 PolarHBondContact O-N 3.41Å; V123-A126 PolarHBondContact O-N 3.44Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 3.05Å; A126-K129 PolarHBondContact O-N 3.44Å; A126-N130 PolarHBondContact O-N 3.15Å |
| 127 | R | 74.1 | Confident | 69.9 | Low | 192 Ų | 192 | 112 Ų | 112 | 73% | 0.725 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.6 | -38.2 | 174.1 | -72.2 | 177.8 | 177.3 | -179.5 | -1 | 112.6 | V123 A124 | V123-R127 WeakPolarHBondContact O-CG 3.38Å; V123-R127 PolarHBondContact O-N 3.08Å; A124-R127 PolarHBondContact O-N 2.98Å |
| 128 | L | 73.4 | Confident | 67.8 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.8 | -32.2 | 174.7 | -92.3 | 146.4 | 0 | 0 | 0 | 113.2 | A124 M125 A126 F290 | A124-L128 PolarHBondContact O-N 3.35Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-L128 HydrophobicContact SD-CD1 4.34Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 3.05Å; L128-F290 HydrophobicContact CD1-CZ 4.27Å; L128-F290 HydrophobicContact CD2-CZ 4.5Å |
| 129 | K | 72 | Confident | 65.3 | Low | 178 Ų | 178 | 111.6 Ų | 111.6 | 77% | 0.774 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.1 | -20 | -179.2 | -87.4 | -174.5 | 175.3 | -177.6 | 0 | 114.4 | M125 A126 | M125-K129 PolarHBondContact O-N 3.41Å; A126-K129 PolarHBondContact O-N 3.44Å |
| 130 | N | 62.5 | Low | 62.8 | Low | 82 Ų | 82 | 113.6 Ų | 113.6 | 44% | 0.439 | 63% | 0.628 | S | S | . | * | | | trans | -132.8 | 81.8 | -176.4 | -151.6 | -14.4 | 0 | 0 | 0 | 112.2 | A126 Q132 I133 | A126-N130 PolarHBondContact O-N 3.15Å; N130-Q132 PolarHBondContact O-N 3.45Å; N130-I133 HydrophobicContact CB-CD1 4.16Å; N130-I133 HydrophobicContact CB-CG1 4.24Å; N130-I133 PolarHBondContact O-N 3.21Å |
| 131 | P | 60.8 | Low | 60.7 | Low | 121 Ų | 121 | 118.9 Ų | 118.9 | 79% | 0.786 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -1.4 | 179.7 | 27 | -33.7 | 0 | 0 | 0 | 113.9 | | |
| 132 | Q | 60.3 | Low | 58.6 | Low | 145 Ų | 145 | 121 Ų | 121 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -5.3 | 179.5 | -67.8 | -84.2 | -8.2 | 0 | 0 | 113.8 | N130 K134 | N130-Q132 PolarHBondContact O-N 3.45Å; Q132-K134 PolarHBondContact O-N 3.41Å |
| 133 | I | 56.1 | Low | 56.1 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 56% | 0.564 | 67% | 0.673 | S | S | * | * | | | trans | -76.3 | 78 | 175.4 | -53.3 | 177.2 | 0 | 0 | 0 | 108.9 | N130 S135 | N130-I133 HydrophobicContact CB-CD1 4.16Å; N130-I133 HydrophobicContact CB-CG1 4.24Å; N130-I133 PolarHBondContact O-N 3.21Å; I133-S135 PolarHBondContact O-N 3Å |
| 134 | K | 45.4 | Very low | 54.2 | Low | 189 Ų | 189 | 127.9 Ų | 127.9 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | | | trans | -68.7 | 109.2 | 169 | -71.2 | 174.5 | 178.7 | 174.4 | 0 | 108.4 | Q132 | Q132-K134 PolarHBondContact O-N 3.41Š|
| 135 | S | 49 | Very low | 52.1 | Low | 97 Ų | 97 | 129.5 Ų | 129.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | | | trans | -129.6 | 113.6 | 161.5 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | I133 | I133-S135 PolarHBondContact O-N 3Š|
| 136 | L | 43.3 | Very low | 50.2 | Low | 163 Ų | 163 | 134.9 Ų | 134.9 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | trans | 63.9 | 85.7 | 147.7 | -52.1 | 174.2 | 0 | 0 | 0 | 118.3 | | |
| 137 | S | 35.9 | Very low | 48.8 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | 14.4 | 130.6 | 143.9 | 53.4 | 0 | 0 | 0 | 0 | 121 | | |
| 138 | P | 43.9 | Very low | 47.2 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | -109.2 | 115.1 | 132.3 | 11 | 8.6 | 0 | 0 | 0 | 109.9 | | |
| 139 | S | 34.2 | Very low | 45.6 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -75 | 148.2 | 173.9 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 140 | M | 37 | Very low | 44.3 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | 72.3 | 97.3 | 168.3 | -56.4 | -162.3 | 85.9 | 0 | 0 | 118.8 | | |
| 141 | Y | 43.6 | Very low | 43.1 | Very low | 231 Ų | 231 | 134.2 Ų | 134.2 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | -117.2 | 127.8 | 138 | -79.8 | -82.7 | 0 | 0 | 0 | 108.4 | | |
| 142 | P | 41.3 | Very low | 42.4 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -75.9 | 135.5 | 177.9 | 30.9 | -30.5 | 0 | 0 | 0 | 110.1 | C144 | P142-C144 PolarHBondContact O-N 3.23Š|
| 143 | S | 31.3 | Very low | 42 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -56.9 | 122.8 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 144 | C | 40.9 | Very low | 42 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | | | trans | -124 | 100.6 | 164.7 | -156.5 | 0 | 0 | 0 | 0 | 109.2 | P142 | P142-C144 PolarHBondContact O-N 3.23Š|
| 145 | S | 35.1 | Very low | 42.9 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | | | trans | -82.5 | 145.6 | 171 | 63 | 0 | 0 | 0 | 0 | 111 | | |
| 146 | K | 39.1 | Very low | 43.8 | Very low | 193 Ų | 193 | 130.2 Ų | 130.2 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | 75.3 | 104.4 | 155.7 | -57 | 173 | -175.5 | 178.7 | 0 | 118.2 | | |
| 147 | T | 46.1 | Very low | 45 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | | | trans | -148.7 | 154.3 | 139.5 | 38.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 148 | P | 39.6 | Very low | 46.9 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -96.5 | 156.7 | -144.8 | 36.6 | -33.5 | 0 | 0 | 0 | 115.4 | V150 | P148-V150 PolarHBondContact O-N 3.06Š|
| 149 | V | 40.5 | Very low | 48.4 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | | | trans | -35.6 | 112 | 164.2 | 178.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 150 | V | 44.5 | Very low | 50.1 | Low | 142 Ų | 142 | 127.6 Ų | 127.6 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | | | trans | -152.3 | 107.2 | 142.7 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | P148 | P148-V150 PolarHBondContact O-N 3.06Š|
| 151 | G | 37.7 | Very low | 51.5 | Low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 54.8 | 76.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 152 | N | 46.9 | Very low | 52.5 | Low | 153 Ų | 153 | 115.4 Ų | 115.4 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | | | trans | 156.9 | 93.2 | 138 | -84 | -10.9 | 0 | 0 | 0 | 106.5 | V154 | N152-V154 VanDerWaalsContact C-N 3.3Å; N152-V154 PolarHBondContact O-N 3.14Å |
| 153 | D | 50.4 | Low | 53.6 | Low | 160 Ų | 160 | 115.3 Ų | 115.3 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | | | trans | -63.7 | 93.5 | 177.9 | -73.3 | -32.1 | 0 | 0 | 0 | 109.3 | C155 | D153-C155 PolarHBondContact O-N 3.06Š|
| 154 | V | 55.9 | Low | 55.1 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | | | trans | -69.3 | 79.1 | 163.8 | -177.8 | 0 | 0 | 0 | 0 | 106.3 | N152 S156 | N152-V154 VanDerWaalsContact C-N 3.3Å; N152-V154 PolarHBondContact O-N 3.14Å; V154-S156 PolarHBondContact O-N 3.03Å |
| 155 | C | 64.5 | Low | 55.9 | Low | 72 Ų | 72 | 114.6 Ų | 114.6 | 49% | 0.486 | 66% | 0.662 | S | S | . | * | | | trans | -65.4 | 129.9 | 171.5 | -88.6 | 0 | 0 | 0 | 0 | 108.7 | D153 V162 | D153-C155 PolarHBondContact O-N 3.06Å; C155-V162 HydrophobicContact CB-CG2 3.76Å |
| 156 | S | 67.5 | Low | 57 | Low | 53 Ų | 53 | 113.6 Ų | 113.6 | 37% | 0.371 | 65% | 0.652 | S | S | . | * | | | trans | -58 | 129.9 | 171.6 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | V154 F158 D159 V162 | V154-S156 PolarHBondContact O-N 3.03Å; S156-F158 PolarHBondContact O-N 2.98Å; S156-F158 PolarHBondContact OG-N 3.49Å; S156-D159 PolarHBondContact O-N 3.39Å; S156-V162 WeakPolarHBondContact O-CG2 3.31Å |
| 157 | P | 68.6 | Low | 57.8 | Low | 102 Ų | 102 | 109.2 Ų | 109.2 | 66% | 0.662 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -2.9 | 177.6 | 27.2 | -34.5 | 0 | 0 | 0 | 113.4 | | |
| 158 | F | 75.8 | Confident | 58.3 | Low | 183 Ų | 183 | 111.1 Ų | 111.1 | 80% | 0.803 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 3.4 | 177.6 | -54.5 | -70.9 | 0 | 0 | 0 | 113.8 | S156 | S156-F158 PolarHBondContact O-N 2.98Å; S156-F158 PolarHBondContact OG-N 3.49Å |
| 159 | D | 76.5 | Confident | 58.9 | Low | 75 Ų | 75 | 109.4 Ų | 109.4 | 40% | 0.401 | 64% | 0.64 | S | S | . | * | | | trans | -67.2 | 135.3 | 175.5 | -101.9 | -43.1 | 0 | 0 | 0 | 110.4 | S156 N161 V162 | S156-D159 PolarHBondContact O-N 3.39Å; D159-N161 PolarHBondContact O-N 3.45Å; D159-V162 HydrophobicContact CB-CB 4.29Å; D159-V162 HydrophobicContact CB-CG2 3.61Å; D159-V162 WeakPolarHBondContact O-CB 3.46Å; D159-V162 PolarHBondContact O-N 2.87Å |
| 160 | P | 69.3 | Low | 59.2 | Low | 97 Ų | 97 | 109.8 Ų | 109.8 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -20.7 | -176.9 | 23.9 | -32.7 | 0 | 0 | 0 | 113 | | |
| 161 | N | 66.3 | Low | 59.4 | Low | 121 Ų | 121 | 110.8 Ų | 110.8 | 65% | 0.647 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -4.6 | 177.8 | -57 | -20.8 | 0 | 0 | 0 | 113.1 | D159 | D159-N161 PolarHBondContact O-N 3.45Š|
| 162 | V | 64.7 | Low | 59.7 | Low | 16 Ų | 16 | 112.4 Ų | 112.4 | 10% | 0.097 | 64% | 0.636 | C | S | . | * | H | α-helix | trans | -80.4 | -21.1 | 179.9 | 167 | 0 | 0 | 0 | 0 | 112.1 | C155 S156 D159 D164 N165 V166 | C155-V162 HydrophobicContact CB-CG2 3.76Å; S156-V162 WeakPolarHBondContact O-CG2 3.31Å; D159-V162 HydrophobicContact CB-CB 4.29Å; D159-V162 HydrophobicContact CB-CG2 3.61Å; D159-V162 WeakPolarHBondContact O-CB 3.46Å; D159-V162 PolarHBondContact O-N 2.87Å; V162-D164 VanDerWaalsContact C-N 3.27Å; V162-D164 PolarHBondContact O-N 3.37Å; V162-N165 PolarHBondContact O-N 2.92Å; V162-N165 VanDerWaalsContact O-N 3.08Å; V162-V166 HydrophobicContact CG1-CG2 3.51Å; V162-V166 WeakPolarHBondContact O-CB 3.33Å; V162-V166 VanDerWaalsContact O-CG2 3.3Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 3.11Å |
| 163 | I | 63.8 | Low | 59.9 | Low | 113 Ų | 113 | 110.3 Ų | 110.3 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -59.6 | -39.5 | 177.7 | -65.4 | 173.3 | 0 | 0 | 0 | 111.1 | N165 V166 C167 | I163-N165 VanDerWaalsContact C-N 3.28Å; I163-N165 PolarHBondContact O-N 2.99Å; I163-V166 PolarHBondContact O-N 3.29Å; I163-C167 PolarHBondContact O-N 3.27Å; I163-C167 PolarHBondContact O-SG 3.43Å |
| 164 | D | 63.2 | Low | 60.1 | Low | 120 Ų | 120 | 106.8 Ų | 106.8 | 64% | 0.642 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.8 | -29.5 | 178.7 | -65.9 | -28.2 | 0 | 0 | 0 | 112.4 | V162 | V162-D164 VanDerWaalsContact C-N 3.27Å; V162-D164 PolarHBondContact O-N 3.37Å |
| 165 | N | 57.7 | Low | 60.2 | Low | 115 Ų | 115 | 107.2 Ų | 107.2 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.8 | -29 | 177.2 | -69 | -27.5 | 0 | 0 | 0 | 113.1 | V162 I163 | V162-N165 PolarHBondContact O-N 2.92Å; V162-N165 VanDerWaalsContact O-N 3.08Å; I163-N165 VanDerWaalsContact C-N 3.28Å; I163-N165 PolarHBondContact O-N 2.99Å |
| 166 | V | 59.4 | Low | 59.9 | Low | 62 Ų | 62 | 112.6 Ų | 112.6 | 38% | 0.376 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -75.8 | -29 | 178.6 | 169 | 0 | 0 | 0 | 0 | 111.9 | V162 I163 Q168 A169 M170 | V162-V166 HydrophobicContact CG1-CG2 3.51Å; V162-V166 WeakPolarHBondContact O-CB 3.33Å; V162-V166 VanDerWaalsContact O-CG2 3.3Å; V162-V166 WeakPolarHBondContact O-CG2 3.47Å; V162-V166 PolarHBondContact O-N 3.11Å; I163-V166 PolarHBondContact O-N 3.29Å; V166-Q168 PolarHBondContact O-N 2.9Å; V166-A169 PolarHBondContact O-N 2.84Å; V166-M170 HydrophobicContact CG1-CG 4.06Å; V166-M170 HydrophobicContact CG1-SD 3.63Å |
| 167 | C | 56 | Low | 59.2 | Low | 102 Ų | 102 | 113.2 Ų | 113.2 | 69% | 0.689 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -17.4 | 179.5 | -71 | 0 | 0 | 0 | 0 | 114.1 | I163 | I163-C167 PolarHBondContact O-N 3.27Å; I163-C167 PolarHBondContact O-SG 3.43Å |
| 168 | Q | 55.1 | Low | 58.5 | Low | 181 Ų | 181 | 118.5 Ų | 118.5 | 85% | 0.846 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -13.6 | 179.9 | -71.5 | -173.4 | 6.2 | 0 | 0 | 114.9 | V166 | V166-Q168 PolarHBondContact O-N 2.9Š|
| 169 | A | 52.6 | Low | 57.5 | Low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | -7.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | V166 N171 | V166-A169 PolarHBondContact O-N 2.84Å; A169-N171 PolarHBondContact O-N 3.11Å |
| 170 | M | 47.8 | Very low | 56.5 | Low | 151 Ų | 151 | 124.9 Ų | 124.9 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | | | trans | -93.6 | 75.6 | -176.3 | -75.8 | -164.9 | 140.6 | 0 | 0 | 113.8 | V166 S172 | V166-M170 HydrophobicContact CG1-CG 4.06Å; V166-M170 HydrophobicContact CG1-SD 3.63Å; M170-S172 PolarHBondContact O-N 3.41Å |
| 171 | N | 47.3 | Very low | 55.4 | Low | 162 Ų | 162 | 125.8 Ų | 125.8 | 87% | 0.866 | 69% | 0.685 | S | S | * | * | | | trans | -72.7 | 80 | 155 | -74.4 | -37 | 0 | 0 | 0 | 109 | A169 | A169-N171 PolarHBondContact O-N 3.11Š|
| 172 | S | 45.5 | Very low | 54.7 | Low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | | | trans | -65.5 | 129.6 | 176.5 | 82.6 | 0 | 0 | 0 | 0 | 110.1 | M170 S174 | M170-S172 PolarHBondContact O-N 3.41Å; S172-S174 PolarHBondContact O-N 2.89Å |
| 173 | P | 49.6 | Very low | 54.3 | Low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | | | trans | -73.6 | 102.5 | 176.2 | 29.7 | -30.3 | 0 | 0 | 0 | 108.7 | L175 | P173-L175 PolarHBondContact O-N 3.17Š|
| 174 | S | 54.5 | Low | 53.8 | Low | 86 Ų | 86 | 126.9 Ų | 126.9 | 60% | 0.601 | 71% | 0.713 | S | S | * | * | | | trans | -70.4 | 96.9 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | S172 F176 | S172-S174 PolarHBondContact O-N 2.89Å; S174-F176 PolarHBondContact O-N 2.7Å; S174-F176 VanDerWaalsContact O-N 3.14Å |
| 175 | L | 59.6 | Low | 53.6 | Low | 150 Ų | 150 | 128.6 Ų | 128.6 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -1.5 | 179.3 | -74 | 167.3 | 0 | 0 | 0 | 114.4 | P173 | P173-L175 PolarHBondContact O-N 3.17Š|
| 176 | F | 56.5 | Low | 53.4 | Low | 185 Ų | 185 | 129.2 Ų | 129.2 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 7.6 | -174.9 | -62.5 | -71.6 | 0 | 0 | 0 | 115.1 | S174 F178 | S174-F176 PolarHBondContact O-N 2.7Å; S174-F176 VanDerWaalsContact O-N 3.14Å; F176-F178 PolarHBondContact O-N 3.41Å; F176-F178 VanDerWaalsContact O-N 3.08Å |
| 177 | A | 53.2 | Low | 53.4 | Low | 66 Ų | 66 | 134.3 Ų | 134.3 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | | | trans | -79.9 | 91.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | K179 | A177-K179 PolarHBondContact O-N 3.37Š|
| 178 | F | 54.6 | Low | 54.2 | Low | 212 Ų | 212 | 135.1 Ų | 135.1 | 93% | 0.93 | 75% | 0.752 | S | S | * | * | | | trans | -60.6 | 83.3 | 160.5 | -88.8 | -88.7 | 0 | 0 | 0 | 109 | F176 K180 | F176-F178 PolarHBondContact O-N 3.41Å; F176-F178 VanDerWaalsContact O-N 3.08Å; F178-K180 PolarHBondContact O-N 3.31Å |
| 179 | K | 53.5 | Low | 55.4 | Low | 195 Ų | 195 | 133.7 Ų | 133.7 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | | | trans | -67.1 | 112 | 165.7 | -87.8 | -174.7 | 174.1 | -179.9 | 0 | 107.2 | A177 S181 | A177-K179 PolarHBondContact O-N 3.37Å; K179-S181 PolarHBondContact O-N 2.89Å |
| 180 | K | 55.9 | Low | 57 | Low | 198 Ų | 198 | 137.5 Ų | 137.5 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | | | trans | -46.1 | 123.2 | 161 | -106.5 | 178 | 173.1 | 178.3 | 0 | 107.7 | F178 V182 | F178-K180 PolarHBondContact O-N 3.31Å; K180-V182 VanDerWaalsContact C-N 3.33Å; K180-V182 PolarHBondContact O-N 3.48Å |
| 181 | S | 45.8 | Very low | 58.8 | Low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | | | trans | -52 | 93.2 | 175.8 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | K179 A183 | K179-S181 PolarHBondContact O-N 2.89Å; S181-A183 PolarHBondContact O-N 2.88Å |
| 182 | V | 52.4 | Low | 60.8 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 70% | 0.703 | 71% | 0.705 | S | S | * | * | | | trans | -73 | 120.9 | 157.1 | 177.5 | 0 | 0 | 0 | 0 | 104.2 | K180 S184 | K180-V182 VanDerWaalsContact C-N 3.33Å; K180-V182 PolarHBondContact O-N 3.48Å; V182-S184 PolarHBondContact O-N 2.95Å |
| 183 | A | 55.6 | Low | 62.8 | Low | 95 Ų | 95 | 130.3 Ų | 130.3 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | | | trans | -66.7 | 51.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S181 | S181-A183 PolarHBondContact O-N 2.88Š|
| 184 | S | 54.1 | Low | 64.8 | Low | 61 Ų | 61 | 130.7 Ų | 130.7 | 43% | 0.427 | 70% | 0.695 | S | S | . | * | | | trans | -84.5 | 125.2 | 162.5 | 60.4 | 0 | 0 | 0 | 0 | 106.8 | V182 N186 | V182-S184 PolarHBondContact O-N 2.95Å; S184-N186 WeakPolarHBondContact CB-ND2 3.41Å; S184-N186 PolarHBondContact O-N 2.93Å; S184-N186 PolarHBondContact OG-ND2 3.37Å; S184-N186 VanDerWaalsContact OG-ND2 3.12Å |
| 185 | N | 58 | Low | 66.5 | Low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 69% | 0.685 | S | S | * | * | | | trans | -64.5 | 31.1 | 176.2 | -54.8 | -20.8 | 0 | 0 | 0 | 113.3 | L187 | N185-L187 PolarHBondContact O-N 3.35Š|
| 186 | N | 54.1 | Low | 68 | Low | 128 Ų | 128 | 128 Ų | 128 | 68% | 0.684 | 67% | 0.672 | S | S | * | * | | | trans | -79.9 | 100 | 175.8 | -67.1 | -33.7 | 0 | 0 | 0 | 106.4 | S184 T188 | S184-N186 WeakPolarHBondContact CB-ND2 3.41Å; S184-N186 PolarHBondContact O-N 2.93Å; S184-N186 PolarHBondContact OG-ND2 3.37Å; S184-N186 VanDerWaalsContact OG-ND2 3.12Å; N186-T188 PolarHBondContact O-N 3.11Å |
| 187 | L | 60.4 | Low | 69.7 | Low | 168 Ų | 168 | 123.3 Ų | 123.3 | 88% | 0.88 | 67% | 0.667 | S | S | * | * | | | trans | -41.6 | 108.8 | 169.1 | -88.6 | 89.9 | 0 | 0 | 0 | 108.3 | N185 F189 | N185-L187 PolarHBondContact O-N 3.35Å; L187-F189 PolarHBondContact O-N 3.45Å |
| 188 | T | 72 | Confident | 71.5 | Confident | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | | | trans | -47.6 | 119.6 | 158.4 | 15.9 | 0 | 0 | 0 | 0 | 105.9 | N186 Q190 | N186-T188 PolarHBondContact O-N 3.11Å; T188-Q190 PolarHBondContact O-N 2.99Å |
| 189 | F | 80.2 | Confident | 73.2 | Confident | 151 Ų | 151 | 122.4 Ų | 122.4 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | | | trans | -54.5 | 107.2 | 173 | 174.5 | -99.1 | 0 | 0 | 0 | 107.5 | L187 W191 | L187-F189 PolarHBondContact O-N 3.45Å; F189-W191 AromaticContact CE1-CD1 3.64Å; F189-W191 AromaticContact CE1-CD2 3.9Å; F189-W191 HydrophobicContact CE1-CD2 3.9Å; F189-W191 AromaticContact CE1-CE2 3.46Å; F189-W191 VanDerWaalsContact CE1-CE2 3.46Å; F189-W191 HydrophobicContact CE1-CG 4.05Å; F189-W191 AromaticContact CE1-CZ2 3.98Å; F189-W191 HydrophobicContact CE1-CZ2 3.98Å; F189-W191 AromaticContact CE1-NE1 3.27Å; F189-W191 VanDerWaalsContact CE1-NE1 3.27Å; F189-W191 AromaticContact CZ-CD2 3.6Å; F189-W191 HydrophobicContact CZ-CD2 3.6Å; F189-W191 AromaticContact CZ-CE2 3.34Å; F189-W191 HydrophobicContact CZ-CE3 4Å; F189-W191 HydrophobicContact CZ-CG 4.15Å; F189-W191 AromaticContact CZ-CH2 3.99Å; F189-W191 HydrophobicContact CZ-CH2 3.99Å; F189-W191 AromaticContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ3 4.2Å; F189-W191 AromaticContact CZ-NE1 3.71Å |
| 190 | Q | 85.3 | Confident | 74.8 | Confident | 164 Ų | 164 | 120 Ų | 120 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | | | trans | -121.1 | 116.3 | 177.9 | -174.9 | 176.4 | 6.3 | 0 | 0 | 105.1 | T188 S192 | T188-Q190 PolarHBondContact O-N 2.99Å; Q190-S192 PolarHBondContact O-N 3.46Å |
| 191 | W | 86.9 | Confident | 76.2 | Confident | 122 Ų | 122 | 116.1 Ų | 116.1 | 46% | 0.462 | 64% | 0.641 | S | S | . | * | | | trans | -59.6 | 125.8 | 169.6 | -69.1 | 107.4 | 0 | 0 | 0 | 108.6 | F189 Q195 L196 I199 | F189-W191 AromaticContact CE1-CD1 3.64Å; F189-W191 AromaticContact CE1-CD2 3.9Å; F189-W191 HydrophobicContact CE1-CD2 3.9Å; F189-W191 AromaticContact CE1-CE2 3.46Å; F189-W191 VanDerWaalsContact CE1-CE2 3.46Å; F189-W191 HydrophobicContact CE1-CG 4.05Å; F189-W191 AromaticContact CE1-CZ2 3.98Å; F189-W191 HydrophobicContact CE1-CZ2 3.98Å; F189-W191 AromaticContact CE1-NE1 3.27Å; F189-W191 VanDerWaalsContact CE1-NE1 3.27Å; F189-W191 AromaticContact CZ-CD2 3.6Å; F189-W191 HydrophobicContact CZ-CD2 3.6Å; F189-W191 AromaticContact CZ-CE2 3.34Å; F189-W191 HydrophobicContact CZ-CE3 4Å; F189-W191 HydrophobicContact CZ-CG 4.15Å; F189-W191 AromaticContact CZ-CH2 3.99Å; F189-W191 HydrophobicContact CZ-CH2 3.99Å; F189-W191 AromaticContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ2 3.56Å; F189-W191 HydrophobicContact CZ-CZ3 4.2Å; F189-W191 AromaticContact CZ-NE1 3.71Å; W191-Q195 HydrophobicContact CE3-CB 3.62Å; W191-Q195 HydrophobicContact CE3-CG 4.36Å; W191-Q195 HydrophobicContact CZ3-CB 4.15Å; W191-L196 HydrophobicContact CB-CD1 4.25Å; W191-L196 HydrophobicContact CB-CD2 3.61Å; W191-L196 HydrophobicContact CB-CG 3.66Å; W191-L196 HydrophobicContact CD2-CD2 4.35Å; W191-L196 HydrophobicContact CG-CD2 3.77Å; W191-L196 HydrophobicContact CG-CG 4.36Å; W191-I199 HydrophobicContact CD2-CD1 4.37Å; W191-I199 HydrophobicContact CE3-CD1 4.33Å; W191-I199 HydrophobicContact CH2-CD1 4.16Å; W191-I199 HydrophobicContact CZ2-CD1 4.22Å; W191-I199 HydrophobicContact CZ3-CD1 4.22Å |
| 192 | S | 90 | Very high | 78 | Confident | 39 Ų | 39 | 114.6 Ų | 114.6 | 27% | 0.273 | 64% | 0.635 | S | S | . | * | | | trans | -66.7 | 150.1 | 169 | 94.9 | 0 | 0 | 0 | 0 | 109.1 | Q190 E194 Q195 L196 | Q190-S192 PolarHBondContact O-N 3.46Å; S192-E194 VanDerWaalsContact CB-OE2 3.28Å; S192-E194 WeakPolarHBondContact CB-OE2 3.39Å; S192-E194 PolarHBondContact O-N 3.32Å; S192-E194 VanDerWaalsContact O-N 3.17Å; S192-E194 PolarHBondContact OG-N 3.44Å; S192-E194 PolarHBondContact OG-OE2 2.94Å; S192-Q195 WeakPolarHBondContact O-CA 3.39Å; S192-Q195 WeakPolarHBondContact O-CB 3.42Å; S192-Q195 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact OG-CG 3.31Å; S192-Q195 PolarHBondContact OG-N 3.39Å; S192-L196 PolarHBondContact O-N 2.92Å |
| 193 | P | 86.6 | Confident | 79.3 | Confident | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -52.4 | -35.9 | 174.8 | -27.2 | 35.9 | 0 | 0 | 0 | 112.9 | Q195 L196 A197 | P193-Q195 VanDerWaalsContact C-N 3.34Å; P193-Q195 PolarHBondContact O-N 3.45Å; P193-L196 PolarHBondContact O-N 3.47Å; P193-A197 WeakPolarHBondContact O-CB 3.43Å; P193-A197 PolarHBondContact O-N 3.19Å |
| 194 | E | 91.9 | Very high | 80.3 | Confident | 119 Ų | 119 | 120.5 Ų | 120.5 | 56% | 0.556 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.1 | -30.4 | 176.5 | -55.1 | 74.3 | -161.2 | 0 | 0 | 112.6 | S192 K198 | S192-E194 VanDerWaalsContact CB-OE2 3.28Å; S192-E194 WeakPolarHBondContact CB-OE2 3.39Å; S192-E194 PolarHBondContact O-N 3.32Å; S192-E194 VanDerWaalsContact O-N 3.17Å; S192-E194 PolarHBondContact OG-N 3.44Å; S192-E194 PolarHBondContact OG-OE2 2.94Å; E194-K198 VanDerWaalsContact O-CG 3.31Å; E194-K198 WeakPolarHBondContact O-CG 3.3Å; E194-K198 PolarHBondContact O-N 2.92Å |
| 195 | Q | 90.9 | Very high | 81.4 | Confident | 82 Ų | 82 | 122.8 Ų | 122.8 | 38% | 0.383 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.1 | -44.8 | 173.2 | -67.1 | 174.1 | -40.3 | 0 | 0 | 110.8 | W191 S192 P193 A197 K198 I199 | W191-Q195 HydrophobicContact CE3-CB 3.62Å; W191-Q195 HydrophobicContact CE3-CG 4.36Å; W191-Q195 HydrophobicContact CZ3-CB 4.15Å; S192-Q195 WeakPolarHBondContact O-CA 3.39Å; S192-Q195 WeakPolarHBondContact O-CB 3.42Å; S192-Q195 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact OG-CG 3.31Å; S192-Q195 PolarHBondContact OG-N 3.39Å; P193-Q195 VanDerWaalsContact C-N 3.34Å; P193-Q195 PolarHBondContact O-N 3.45Å; Q195-A197 VanDerWaalsContact C-N 3.27Å; Q195-A197 PolarHBondContact O-N 2.9Å; Q195-K198 PolarHBondContact O-N 2.84Å; Q195-I199 WeakPolarHBondContact O-CG1 3.23Å; Q195-I199 PolarHBondContact O-N 2.77Å |
| 196 | L | 90.7 | Very high | 82 | Confident | 97 Ų | 97 | 123.2 Ų | 123.2 | 51% | 0.508 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -59.5 | -39.3 | 175.1 | -68.5 | 177.5 | 0 | 0 | 0 | 111.6 | W191 S192 P193 K198 I199 | W191-L196 HydrophobicContact CB-CD1 4.25Å; W191-L196 HydrophobicContact CB-CD2 3.61Å; W191-L196 HydrophobicContact CB-CG 3.66Å; W191-L196 HydrophobicContact CD2-CD2 4.35Å; W191-L196 HydrophobicContact CG-CD2 3.77Å; W191-L196 HydrophobicContact CG-CG 4.36Å; S192-L196 PolarHBondContact O-N 2.92Å; P193-L196 PolarHBondContact O-N 3.47Å; L196-K198 PolarHBondContact O-N 3.01Å; L196-I199 HydrophobicContact CD2-CD1 4.01Å; L196-I199 PolarHBondContact O-N 3.03Å |
| 197 | A | 91.5 | Very high | 82.9 | Confident | 87 Ų | 87 | 124.5 Ų | 124.5 | 72% | 0.719 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -20.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P193 Q195 | P193-A197 WeakPolarHBondContact O-CB 3.43Å; P193-A197 PolarHBondContact O-N 3.19Å; Q195-A197 VanDerWaalsContact C-N 3.27Å; Q195-A197 PolarHBondContact O-N 2.9Å |
| 198 | K | 91.3 | Very high | 82.9 | Confident | 166 Ų | 166 | 118.6 Ų | 118.6 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -16.3 | 177 | -72.2 | 173.4 | -175.9 | -178.9 | 0 | 113.4 | E194 Q195 L196 Q200 | E194-K198 VanDerWaalsContact O-CG 3.31Å; E194-K198 WeakPolarHBondContact O-CG 3.3Å; E194-K198 PolarHBondContact O-N 2.92Å; Q195-K198 PolarHBondContact O-N 2.84Å; L196-K198 PolarHBondContact O-N 3.01Å; K198-Q200 PolarHBondContact O-N 3.36Å |
| 199 | I | 89.6 | Confident | 82.1 | Confident | 93 Ų | 93 | 117.1 Ų | 117.1 | 48% | 0.477 | 62% | 0.622 | S | S | . | * | | | trans | -71.5 | 101.4 | 177.2 | -61.9 | 171.4 | 0 | 0 | 0 | 107.4 | W191 Q195 L196 | W191-I199 HydrophobicContact CD2-CD1 4.37Å; W191-I199 HydrophobicContact CE3-CD1 4.33Å; W191-I199 HydrophobicContact CH2-CD1 4.16Å; W191-I199 HydrophobicContact CZ2-CD1 4.22Å; W191-I199 HydrophobicContact CZ3-CD1 4.22Å; Q195-I199 WeakPolarHBondContact O-CG1 3.23Å; Q195-I199 PolarHBondContact O-N 2.77Å; L196-I199 HydrophobicContact CD2-CD1 4.01Å; L196-I199 PolarHBondContact O-N 3.03Å |
| 200 | Q | 88.6 | Confident | 81.1 | Confident | 145 Ų | 145 | 113 Ų | 113 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 144.3 | 169.5 | -66.3 | -174.7 | 0.1 | 0 | 0 | 108.8 | K198 A202 | K198-Q200 PolarHBondContact O-N 3.36Å; Q200-A202 PolarHBondContact O-N 3.3Å |
| 201 | P | 85 | Confident | 79.9 | Confident | 116 Ų | 116 | 114.1 Ų | 114.1 | 75% | 0.753 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 134.7 | 167 | -23.3 | 32.3 | 0 | 0 | 0 | 108.8 | K203 | P201-K203 PolarHBondContact O-N 3.49Š|
| 202 | A | 82.8 | Confident | 78.7 | Confident | 84 Ų | 84 | 116.6 Ų | 116.6 | 69% | 0.694 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 118 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q200 L204 | Q200-A202 PolarHBondContact O-N 3.3Å; A202-L204 VanDerWaalsContact C-N 3.25Å; A202-L204 PolarHBondContact O-N 2.79Å |
| 203 | K | 80.4 | Confident | 77.4 | Confident | 186 Ų | 186 | 121.8 Ų | 121.8 | 81% | 0.809 | 65% | 0.651 | S | S | * | * | | | trans | -64.2 | 98.4 | 170.6 | -73.1 | -173.4 | 178.9 | -176.4 | 0 | 105.5 | P201 D205 | P201-K203 PolarHBondContact O-N 3.49Å; K203-D205 PolarHBondContact O-N 3.28Å |
| 204 | L | 75.9 | Confident | 76.1 | Confident | 148 Ų | 148 | 124.6 Ų | 124.6 | 78% | 0.775 | 66% | 0.661 | S | S | * | * | | | trans | -63.5 | 117.4 | 166.1 | -62.4 | 175.1 | 0 | 0 | 0 | 104.5 | A202 E206 | A202-L204 VanDerWaalsContact C-N 3.25Å; A202-L204 PolarHBondContact O-N 2.79Å; L204-E206 VanDerWaalsContact C-N 3.35Å; L204-E206 PolarHBondContact O-N 3.35Å |
| 205 | D | 78.2 | Confident | 74.8 | Confident | 109 Ų | 109 | 123.5 Ų | 123.5 | 58% | 0.583 | 67% | 0.665 | S | S | * | * | | | trans | -60.6 | 102.6 | 173.5 | -170.8 | 4.9 | 0 | 0 | 0 | 106.8 | K203 D207 G208 | K203-D205 PolarHBondContact O-N 3.28Å; D205-D207 PolarHBondContact O-N 2.69Å; D205-D207 WeakPolarHBondContact OD1-CB 3.21Å; D205-D207 PolarHBondContact OD1-N 2.88Å; D205-G208 CarbonylContact O-C 3.59Å; D205-G208 WeakPolarHBondContact O-CA 3.4Å; D205-G208 PolarHBondContact O-N 3.16Å |
| 206 | E | 70.8 | Confident | 73.9 | Confident | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -60.9 | -30.6 | 179.9 | -65.6 | -170.4 | 171.2 | 0 | 0 | 109.7 | L204 G208 T209 | L204-E206 VanDerWaalsContact C-N 3.35Å; L204-E206 PolarHBondContact O-N 3.35Å; E206-G208 VanDerWaalsContact C-N 3.28Å; E206-G208 PolarHBondContact O-N 3.48Å; E206-T209 PolarHBondContact O-OG1 2.92Å |
| 207 | D | 71.8 | Confident | 73.6 | Confident | 155 Ų | 155 | 124.1 Ų | 124.1 | 83% | 0.829 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -77.7 | -16.5 | 176.5 | -54.8 | -32.3 | 0 | 0 | 0 | 112.2 | D205 | D205-D207 PolarHBondContact O-N 2.69Å; D205-D207 WeakPolarHBondContact OD1-CB 3.21Å; D205-D207 PolarHBondContact OD1-N 2.88Å |
| 208 | G | 59.7 | Low | 73.6 | Confident | 44 Ų | 44 | 125 Ų | 125 | 45% | 0.454 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -92.9 | 8.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D205 E206 S210 | D205-G208 CarbonylContact O-C 3.59Å; D205-G208 WeakPolarHBondContact O-CA 3.4Å; D205-G208 PolarHBondContact O-N 3.16Å; E206-G208 VanDerWaalsContact C-N 3.28Å; E206-G208 PolarHBondContact O-N 3.48Å; G208-S210 PolarHBondContact O-N 3.19Å |
| 209 | T | 57 | Low | 73.6 | Confident | 88 Ų | 88 | 125.1 Ų | 125.1 | 54% | 0.54 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -59.6 | 94.1 | 165 | 28.1 | 0 | 0 | 0 | 0 | 107.3 | E206 E211 | E206-T209 PolarHBondContact O-OG1 2.92Å; T209-E211 PolarHBondContact O-N 3Å; T209-E211 VanDerWaalsContact O-N 3.09Å |
| 210 | S | 59.1 | Low | 73.7 | Confident | 66 Ų | 66 | 126.2 Ų | 126.2 | 46% | 0.462 | 67% | 0.67 | S | S | . | * | | | trans | -47.3 | 126.7 | -178.4 | 65.1 | 0 | 0 | 0 | 0 | 107.4 | G208 K212 E213 | G208-S210 PolarHBondContact O-N 3.19Å; S210-K212 PolarHBondContact O-N 2.96Å; S210-E213 PolarHBondContact O-N 3.31Å |
| 211 | E | 60.1 | Low | 73.9 | Confident | 186 Ų | 186 | 124 Ų | 124 | 87% | 0.869 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -11.5 | -177.9 | -62.1 | -179.1 | 152.6 | 0 | 0 | 113.2 | T209 N214 | T209-E211 PolarHBondContact O-N 3Å; T209-E211 VanDerWaalsContact O-N 3.09Å; E211-N214 PolarHBondContact O-N 3.31Å |
| 212 | K | 61.2 | Low | 74.4 | Confident | 175 Ų | 175 | 126.2 Ų | 126.2 | 76% | 0.761 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -28.4 | 170.2 | -67 | -176.4 | 177.3 | 175.9 | 0 | 114.9 | S210 N214 C215 | S210-K212 PolarHBondContact O-N 2.96Å; K212-N214 VanDerWaalsContact C-N 3.32Å; K212-C215 WeakPolarHBondContact O-CB 3.37Å; K212-C215 PolarHBondContact O-N 3.42Å |
| 213 | E | 61.6 | Low | 75 | Confident | 147 Ų | 147 | 128.5 Ų | 128.5 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -73.9 | -23.6 | 178.5 | -74.4 | -169.1 | 162.1 | 0 | 0 | 112.8 | S210 C215 | S210-E213 PolarHBondContact O-N 3.31Å; E213-C215 PolarHBondContact O-N 2.85Å |
| 214 | N | 60.8 | Low | 75.7 | Confident | 156 Ų | 156 | 123.1 Ų | 123.1 | 83% | 0.834 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -82.4 | 10.1 | 173.8 | -98.5 | -11.8 | 0 | 0 | 0 | 114.1 | E211 K212 F216 | E211-N214 PolarHBondContact O-N 3.31Å; K212-N214 VanDerWaalsContact C-N 3.32Å; N214-F216 VanDerWaalsContact C-N 3.31Å; N214-F216 PolarHBondContact O-N 3.48Å |
| 215 | C | 63.2 | Low | 76.6 | Confident | 97 Ų | 97 | 120 Ų | 120 | 66% | 0.655 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -82.5 | -1.6 | -168.9 | -150.7 | 0 | 0 | 0 | 0 | 114.7 | K212 E213 S217 | K212-C215 WeakPolarHBondContact O-CB 3.37Å; K212-C215 PolarHBondContact O-N 3.42Å; E213-C215 PolarHBondContact O-N 2.85Å; C215-S217 PolarHBondContact O-N 2.97Å |
| 216 | F | 72.7 | Confident | 77.5 | Confident | 135 Ų | 135 | 117.6 Ų | 117.6 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -90.4 | 103.9 | 169.6 | -66.5 | -72.8 | 0 | 0 | 0 | 110 | N214 I224 | N214-F216 VanDerWaalsContact C-N 3.31Å; N214-F216 PolarHBondContact O-N 3.48Å; F216-I224 HydrophobicContact CD1-CD1 4.37Å; F216-I224 HydrophobicContact CE1-CD1 4.45Å |
| 217 | S | 85.1 | Confident | 78.7 | Confident | 57 Ų | 57 | 112.7 Ų | 112.7 | 40% | 0.399 | 60% | 0.598 | S | S | . | * | | | trans | -55.2 | 141.8 | 170.6 | 69.3 | 0 | 0 | 0 | 0 | 109.4 | C215 K219 K220 E221 | C215-S217 PolarHBondContact O-N 2.97Å; S217-K219 PolarHBondContact O-N 2.91Å; S217-K220 PolarHBondContact O-N 3.01Å; S217-K220 PolarHBondContact OG-N 3.29Å; S217-E221 PolarHBondContact O-N 3.22Å; S217-E221 VanDerWaalsContact O-N 3.17Å |
| 218 | P | 90.2 | Very high | 79.7 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -53.7 | -23.6 | 179.2 | -28.6 | 34.2 | 0 | 0 | 0 | 113.8 | K222 | P218-K222 WeakPolarHBondContact O-CG 3.45Å; P218-K222 PolarHBondContact O-N 3.37Å |
| 219 | K | 92.6 | Very high | 81.4 | Confident | 169 Ų | 169 | 110.2 Ų | 110.2 | 74% | 0.735 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.7 | -44.5 | 173.9 | -171.6 | 178.7 | 178.7 | -177.2 | 0 | 112.2 | S217 K222 E223 | S217-K219 PolarHBondContact O-N 2.91Å; K219-K222 PolarHBondContact O-N 2.86Å; K219-E223 PolarHBondContact O-N 3.15Å; K219-E223 VanDerWaalsContact O-N 3.11Å |
| 220 | K | 91.1 | Very high | 83.2 | Confident | 117 Ų | 117 | 109.8 Ų | 109.8 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66 | -40.2 | 176.6 | -79.7 | -170.4 | 175.2 | -177.7 | 0 | 111.7 | S217 K222 E223 I224 | S217-K220 PolarHBondContact O-N 3.01Å; S217-K220 PolarHBondContact OG-N 3.29Å; K220-K222 VanDerWaalsContact C-N 3.31Å; K220-K222 PolarHBondContact O-N 3.06Å; K220-E223 WeakPolarHBondContact O-CB 3.38Å; K220-E223 PolarHBondContact O-N 3.17Å; K220-E223 VanDerWaalsContact O-N 3.15Å; K220-I224 VanDerWaalsContact O-CG1 3.31Å; K220-I224 WeakPolarHBondContact O-CG1 3.26Å; K220-I224 PolarHBondContact O-N 3Å |
| 221 | E | 92.7 | Very high | 84.9 | Confident | 98 Ų | 98 | 111.8 Ų | 111.8 | 46% | 0.458 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.3 | -42.8 | 176.5 | -177.5 | 61.3 | -170.1 | 0 | 0 | 111.6 | S217 E223 I224 Q225 | S217-E221 PolarHBondContact O-N 3.22Å; S217-E221 VanDerWaalsContact O-N 3.17Å; E221-E223 VanDerWaalsContact C-N 3.33Å; E221-E223 PolarHBondContact O-N 3.37Å; E221-I224 PolarHBondContact O-N 3.31Å; E221-Q225 WeakPolarHBondContact O-CB 3.31Å; E221-Q225 PolarHBondContact O-N 3.26Å |
| 222 | K | 95.1 | Very high | 86.4 | Confident | 162 Ų | 162 | 108.3 Ų | 108.3 | 70% | 0.704 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.4 | -38.7 | 174.3 | -75.7 | -179.7 | -180 | -175.6 | 0 | 113 | P218 K219 K220 A226 | P218-K222 WeakPolarHBondContact O-CG 3.45Å; P218-K222 PolarHBondContact O-N 3.37Å; K219-K222 PolarHBondContact O-N 2.86Å; K220-K222 VanDerWaalsContact C-N 3.31Å; K220-K222 PolarHBondContact O-N 3.06Å; K222-A226 WeakPolarHBondContact O-CB 3.48Å; K222-A226 PolarHBondContact O-N 3.43Å |
| 223 | E | 96.3 | Very high | 87.9 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.5 | -42.9 | 177.1 | -173.1 | 178.3 | 178.3 | 0 | 0 | 111.5 | K219 K220 E221 A226 A227 | K219-E223 PolarHBondContact O-N 3.15Å; K219-E223 VanDerWaalsContact O-N 3.11Å; K220-E223 WeakPolarHBondContact O-CB 3.38Å; K220-E223 PolarHBondContact O-N 3.17Å; K220-E223 VanDerWaalsContact O-N 3.15Å; E221-E223 VanDerWaalsContact C-N 3.33Å; E221-E223 PolarHBondContact O-N 3.37Å; E223-A226 PolarHBondContact O-N 2.93Å; E223-A227 PolarHBondContact O-N 3.39Å |
| 224 | I | 94.7 | Very high | 89.3 | Confident | 73 Ų | 73 | 102.5 Ų | 102.5 | 37% | 0.374 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.3 | -67.4 | 165.4 | 0 | 0 | 0 | 110.2 | F216 K220 E221 A226 A227 I228 | F216-I224 HydrophobicContact CD1-CD1 4.37Å; F216-I224 HydrophobicContact CE1-CD1 4.45Å; K220-I224 VanDerWaalsContact O-CG1 3.31Å; K220-I224 WeakPolarHBondContact O-CG1 3.26Å; K220-I224 PolarHBondContact O-N 3Å; E221-I224 PolarHBondContact O-N 3.31Å; I224-A226 PolarHBondContact O-N 2.7Å; I224-A227 PolarHBondContact O-N 3.49Å; I224-I228 HydrophobicContact CG2-CD1 3.89Å; I224-I228 WeakPolarHBondContact O-CG1 3.47Å; I224-I228 PolarHBondContact O-N 3.2Å |
| 225 | Q | 95.6 | Very high | 90.5 | Very high | 84 Ų | 84 | 97.2 Ų | 97.2 | 39% | 0.393 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.9 | -171.6 | 60.4 | 56.5 | 0 | 0 | 111.8 | E221 A227 I228 D229 | E221-Q225 WeakPolarHBondContact O-CB 3.31Å; E221-Q225 PolarHBondContact O-N 3.26Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 2.92Å; Q225-I228 PolarHBondContact O-N 3.19Å; Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact O-N 3.17Å |
| 226 | A | 96.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 98.4 Ų | 98.4 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K222 E223 I224 S230 | K222-A226 WeakPolarHBondContact O-CB 3.48Å; K222-A226 PolarHBondContact O-N 3.43Å; E223-A226 PolarHBondContact O-N 2.93Å; I224-A226 PolarHBondContact O-N 2.7Å; A226-S230 WeakPolarHBondContact O-CB 3.5Å; A226-S230 PolarHBondContact O-N 3.14Å |
| 227 | A | 95.8 | Very high | 92 | Very high | 64 Ų | 64 | 94.5 Ų | 94.5 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E223 I224 Q225 F231 | E223-A227 PolarHBondContact O-N 3.39Å; I224-A227 PolarHBondContact O-N 3.49Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 2.92Å; A227-F231 WeakPolarHBondContact O-CB 3.28Å; A227-F231 PolarHBondContact O-N 3.38Å |
| 228 | I | 93.7 | Very high | 91.5 | Very high | 70 Ų | 70 | 99.5 Ų | 99.5 | 36% | 0.359 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 174.9 | -68.4 | 168.6 | 0 | 0 | 0 | 110.2 | I224 Q225 S230 F231 F232 | I224-I228 HydrophobicContact CG2-CD1 3.89Å; I224-I228 WeakPolarHBondContact O-CG1 3.47Å; I224-I228 PolarHBondContact O-N 3.2Å; Q225-I228 PolarHBondContact O-N 3.19Å; I228-S230 PolarHBondContact O-N 3.08Å; I228-F231 WeakPolarHBondContact O-CB 3.5Å; I228-F231 PolarHBondContact O-N 3.09Å; I228-F231 VanDerWaalsContact O-N 3.1Å; I228-F232 HydrophobicContact CG2-CD2 3.78Å; I228-F232 HydrophobicContact CG2-CE2 3.69Å; I228-F232 VanDerWaalsContact O-CD2 3.28Å; I228-F232 WeakPolarHBondContact O-CD2 3.41Å; I228-F232 PolarHBondContact O-N 2.94Å; I228-F232 VanDerWaalsContact O-N 3.08Å |
| 229 | D | 95 | Very high | 90.8 | Very high | 77 Ų | 77 | 99.3 Ų | 99.3 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 179.8 | -65 | -18 | 0 | 0 | 0 | 110.4 | Q225 F231 F232 D233 | Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact O-N 3.17Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.32Å; D229-F232 PolarHBondContact O-N 2.72Å; D229-F232 VanDerWaalsContact O-N 3.16Å; D229-D233 WeakPolarHBondContact O-CB 3.3Å; D229-D233 VanDerWaalsContact O-CG 3.29Å; D229-D233 PolarHBondContact O-N 3.49Å |
| 230 | S | 95.1 | Very high | 90 | Very high | 79 Ų | 79 | 96.2 Ų | 96.2 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.3 | -34.2 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 113.3 | A226 I228 S234 | A226-S230 WeakPolarHBondContact O-CB 3.5Å; A226-S230 PolarHBondContact O-N 3.14Å; I228-S230 PolarHBondContact O-N 3.08Å; S230-S234 PolarHBondContact O-N 3.33Å; S230-S234 VanDerWaalsContact O-N 3.16Å |
| 231 | F | 93.6 | Very high | 89.3 | Confident | 107 Ų | 107 | 96.2 Ų | 96.2 | 47% | 0.469 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | 176.9 | 174.3 | -108.9 | 0 | 0 | 0 | 111.8 | A227 I228 D229 S234 V237 | A227-F231 WeakPolarHBondContact O-CB 3.28Å; A227-F231 PolarHBondContact O-N 3.38Å; I228-F231 WeakPolarHBondContact O-CB 3.5Å; I228-F231 PolarHBondContact O-N 3.09Å; I228-F231 VanDerWaalsContact O-N 3.1Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.32Å; F231-S234 PolarHBondContact O-OG 3.24Å; F231-V237 HydrophobicContact CD1-CG2 3.85Å; F231-V237 HydrophobicContact CE1-CG2 3.12Å; F231-V237 HydrophobicContact CE2-CG2 4.26Å; F231-V237 HydrophobicContact CZ-CG2 3.35Å |
| 232 | F | 91.3 | Very high | 88.3 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.4 | -35.4 | 176.4 | -76.4 | -75.4 | 0 | 0 | 0 | 112.7 | I228 D229 S234 G235 V237 | I228-F232 HydrophobicContact CG2-CD2 3.78Å; I228-F232 HydrophobicContact CG2-CE2 3.69Å; I228-F232 VanDerWaalsContact O-CD2 3.28Å; I228-F232 WeakPolarHBondContact O-CD2 3.41Å; I228-F232 PolarHBondContact O-N 2.94Å; I228-F232 VanDerWaalsContact O-N 3.08Å; D229-F232 PolarHBondContact O-N 2.72Å; D229-F232 VanDerWaalsContact O-N 3.16Å; F232-S234 VanDerWaalsContact C-N 3.27Å; F232-S234 PolarHBondContact O-N 3.05Å; F232-G235 PolarHBondContact O-N 3.41Å; F232-V237 HydrophobicContact CD1-CB 3.95Å; F232-V237 HydrophobicContact CD1-CG1 4.22Å; F232-V237 HydrophobicContact CD1-CG2 4.23Å; F232-V237 HydrophobicContact CE1-CB 4.02Å; F232-V237 HydrophobicContact CE1-CG1 3.82Å; F232-V237 HydrophobicContact CE1-CG2 4.17Å |
| 233 | D | 92.6 | Very high | 86.8 | Confident | 138 Ų | 138 | 100.5 Ų | 100.5 | 74% | 0.738 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.7 | -24.9 | 177.1 | -72.8 | -15.5 | 0 | 0 | 0 | 112.9 | D229 G235 | D229-D233 WeakPolarHBondContact O-CB 3.3Å; D229-D233 VanDerWaalsContact O-CG 3.29Å; D229-D233 PolarHBondContact O-N 3.49Å; D233-G235 PolarHBondContact O-N 3.46Å |
| 234 | S | 92 | Very high | 85 | Confident | 62 Ų | 62 | 96.6 Ų | 96.6 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.2 | -8.7 | 175.9 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | S230 F231 F232 L236 | S230-S234 PolarHBondContact O-N 3.33Å; S230-S234 VanDerWaalsContact O-N 3.16Å; F231-S234 PolarHBondContact O-OG 3.24Å; F232-S234 VanDerWaalsContact C-N 3.27Å; F232-S234 PolarHBondContact O-N 3.05Å; S234-L236 PolarHBondContact O-N 3.31Å; S234-L236 VanDerWaalsContact O-N 3.14Å; S234-L236 WeakPolarHBondContact OG-CB 3.32Å; S234-L236 WeakPolarHBondContact OG-CD1 3.46Å; S234-L236 VanDerWaalsContact OG-CG 3.3Å; S234-L236 WeakPolarHBondContact OG-CG 3.43Å; S234-L236 PolarHBondContact OG-N 3.05Å |
| 235 | G | 85.6 | Confident | 83.2 | Confident | 46 Ų | 46 | 100.3 Ų | 100.3 | 47% | 0.474 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68.7 | 5.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | F232 D233 V237 | F232-G235 PolarHBondContact O-N 3.41Å; D233-G235 PolarHBondContact O-N 3.46Å; G235-V237 VanDerWaalsContact C-N 3.28Å; G235-V237 PolarHBondContact O-N 3.36Å |
| 236 | L | 85.3 | Confident | 81.4 | Confident | 121 Ų | 121 | 101.1 Ų | 101.1 | 63% | 0.634 | 60% | 0.603 | S | S | * | * | | | trans | -71.4 | -25 | 178.8 | -68 | 176.3 | 0 | 0 | 0 | 112.5 | S234 | S234-L236 PolarHBondContact O-N 3.31Å; S234-L236 VanDerWaalsContact O-N 3.14Å; S234-L236 WeakPolarHBondContact OG-CB 3.32Å; S234-L236 WeakPolarHBondContact OG-CD1 3.46Å; S234-L236 VanDerWaalsContact OG-CG 3.3Å; S234-L236 WeakPolarHBondContact OG-CG 3.43Å; S234-L236 PolarHBondContact OG-N 3.05Å |
| 237 | V | 81.2 | Confident | 79.3 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 32% | 0.321 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -99.3 | 100 | 173.1 | -171 | 0 | 0 | 0 | 0 | 108.5 | F231 F232 G235 | F231-V237 HydrophobicContact CD1-CG2 3.85Å; F231-V237 HydrophobicContact CE1-CG2 3.12Å; F231-V237 HydrophobicContact CE2-CG2 4.26Å; F231-V237 HydrophobicContact CZ-CG2 3.35Å; F232-V237 HydrophobicContact CD1-CB 3.95Å; F232-V237 HydrophobicContact CD1-CG1 4.22Å; F232-V237 HydrophobicContact CD1-CG2 4.23Å; F232-V237 HydrophobicContact CE1-CB 4.02Å; F232-V237 HydrophobicContact CE1-CG1 3.82Å; F232-V237 HydrophobicContact CE1-CG2 4.17Å; G235-V237 VanDerWaalsContact C-N 3.28Å; G235-V237 PolarHBondContact O-N 3.36Å |
| 238 | H | 75 | Confident | 77.7 | Confident | 162 Ų | 162 | 106.2 Ų | 106.2 | 75% | 0.75 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 131.5 | 164.2 | -79 | -71.2 | 0 | 0 | 0 | 108.6 | S240 | H238-S240 PolarHBondContact O-N 3.02Š|
| 239 | P | 75.8 | Confident | 75.7 | Confident | 101 Ų | 101 | 108.9 Ų | 108.9 | 66% | 0.656 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 139.2 | 168.9 | 24 | -32.3 | 0 | 0 | 0 | 107.8 | | |
| 240 | S | 76.4 | Confident | 73.9 | Confident | 103 Ų | 103 | 111.6 Ų | 111.6 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 134.3 | 174.3 | -61.6 | 0 | 0 | 0 | 0 | 108.6 | H238 Q242 | H238-S240 PolarHBondContact O-N 3.02Å; S240-Q242 PolarHBondContact O-N 2.9Å |
| 241 | P | 77 | Confident | 71.6 | Confident | 117 Ų | 117 | 112.8 Ų | 112.8 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | | | trans | -48.6 | 113.7 | -177.3 | -24.6 | 30.9 | 0 | 0 | 0 | 107.9 | L243 | P241-L243 PolarHBondContact O-N 3.07Š|
| 242 | Q | 71.7 | Confident | 70 | Confident | 176 Ų | 176 | 117.5 Ų | 117.5 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | | | trans | -61.6 | 111.9 | 174.4 | -69.6 | -174.4 | -10.9 | 0 | 0 | 104.5 | S240 G244 | S240-Q242 PolarHBondContact O-N 2.9Å; Q242-G244 PolarHBondContact O-N 3.3Å |
| 243 | L | 63.5 | Low | 68.2 | Low | 174 Ų | 174 | 118.2 Ų | 118.2 | 91% | 0.911 | 71% | 0.706 | S | S | * | * | | | trans | -68.1 | 42.2 | 166.7 | -81 | 148.3 | 0 | 0 | 0 | 109.4 | P241 T245 | P241-L243 PolarHBondContact O-N 3.07Å; L243-T245 PolarHBondContact O-N 3.04Å |
| 244 | G | 57.4 | Low | 65.9 | Low | 50 Ų | 50 | 117.4 Ų | 117.4 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | | | trans | -74.1 | 109.3 | 178 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q242 S246 | Q242-G244 PolarHBondContact O-N 3.3Å; G244-S246 PolarHBondContact O-N 3.49Å |
| 245 | T | 58.1 | Low | 64.2 | Low | 151 Ų | 151 | 121.1 Ų | 121.1 | 93% | 0.926 | 73% | 0.731 | S | S | * | * | | | trans | -66.3 | 31.9 | 175.6 | 45.1 | 0 | 0 | 0 | 0 | 113.8 | L243 | L243-T245 PolarHBondContact O-N 3.04Š|
| 246 | S | 56.7 | Low | 62.6 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | -102.4 | 104.9 | 174.2 | 71.1 | 0 | 0 | 0 | 0 | 110 | G244 N248 | G244-S246 PolarHBondContact O-N 3.49Å; S246-N248 PolarHBondContact O-N 2.93Å |
| 247 | A | 53.8 | Low | 60.8 | Low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | | | trans | -55.9 | 93.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 248 | N | 60.3 | Low | 59.2 | Low | 127 Ų | 127 | 129.5 Ų | 129.5 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | | | trans | -148.1 | 96.7 | 153.2 | -134.3 | -16.7 | 0 | 0 | 0 | 108.8 | S246 L250 | S246-N248 PolarHBondContact O-N 2.93Å; N248-L250 PolarHBondContact O-N 3.23Å |
| 249 | P | 52.8 | Low | 58 | Low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -73.8 | 81.2 | 178.2 | 31.2 | -31.9 | 0 | 0 | 0 | 108.7 | S251 | P249-S251 VanDerWaalsContact C-N 3.31Å; P249-S251 PolarHBondContact O-N 3.41Å |
| 250 | L | 56.5 | Low | 57.2 | Low | 135 Ų | 135 | 129.1 Ų | 129.1 | 71% | 0.707 | 78% | 0.784 | S | S | * | * | | | trans | -72.9 | 93.1 | 167.6 | -74.9 | 170.1 | 0 | 0 | 0 | 108.3 | N248 F252 | N248-L250 PolarHBondContact O-N 3.23Å; L250-F252 PolarHBondContact O-N 3.15Å; L250-F252 VanDerWaalsContact O-N 3.11Å |
| 251 | S | 47.6 | Very low | 56.1 | Low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | 28.5 | 73.9 | 144.5 | 58.2 | 0 | 0 | 0 | 0 | 115.7 | P249 T253 | P249-S251 VanDerWaalsContact C-N 3.31Å; P249-S251 PolarHBondContact O-N 3.41Å; S251-T253 PolarHBondContact O-N 3.03Å; S251-T253 VanDerWaalsContact O-N 3.14Å |
| 252 | F | 58.5 | Low | 54.9 | Low | 205 Ų | 205 | 132.9 Ų | 132.9 | 90% | 0.899 | 79% | 0.793 | S | S | * | * | | | trans | -65 | 109.3 | 153.8 | -82.9 | -87.2 | 0 | 0 | 0 | 107.3 | L250 S254 | L250-F252 PolarHBondContact O-N 3.15Å; L250-F252 VanDerWaalsContact O-N 3.11Å; F252-S254 PolarHBondContact O-N 3.02Å |
| 253 | T | 54.3 | Low | 54.2 | Low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -48.5 | 120.4 | 164.7 | 36.8 | 0 | 0 | 0 | 0 | 108.9 | S251 V255 | S251-T253 PolarHBondContact O-N 3.03Å; S251-T253 VanDerWaalsContact O-N 3.14Å; T253-V255 PolarHBondContact O-N 2.82Å; T253-V255 VanDerWaalsContact O-N 3.1Å |
| 254 | S | 44.4 | Very low | 53.3 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -49.8 | 106.2 | -174.8 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | F252 | F252-S254 PolarHBondContact O-N 3.02Š|
| 255 | V | 55.5 | Low | 53.6 | Low | 139 Ų | 139 | 130.3 Ų | 130.3 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | | | trans | -95.6 | 122.8 | 156.5 | -178.9 | 0 | 0 | 0 | 0 | 106.5 | T253 E257 | T253-V255 PolarHBondContact O-N 2.82Å; T253-V255 VanDerWaalsContact O-N 3.1Å; V255-E257 PolarHBondContact O-N 3.05Å |
| 256 | S | 53 | Low | 53.5 | Low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | -60.8 | 123.7 | -170.6 | 62 | 0 | 0 | 0 | 0 | 113.4 | | |
| 257 | E | 46.9 | Very low | 53.6 | Low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | 41.4 | 97.7 | 139.4 | -65.6 | -177.4 | 151.7 | 0 | 0 | 119 | V255 | V255-E257 PolarHBondContact O-N 3.05Š|
| 258 | S | 48.2 | Very low | 53.7 | Low | 106 Ų | 106 | 144.2 Ų | 144.2 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -95.8 | 128.6 | 145.7 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | V260 | S258-V260 PolarHBondContact O-N 2.77Š|
| 259 | P | 49.3 | Very low | 53.4 | Low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | | | trans | -87 | 93 | -173.3 | 33.8 | -30.9 | 0 | 0 | 0 | 110.3 | | |
| 260 | V | 59.7 | Low | 53.9 | Low | 130 Ų | 130 | 147.6 Ų | 147.6 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | | | trans | -126.7 | 120.4 | 162.2 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | S258 | S258-V260 PolarHBondContact O-N 2.77Š|
| 261 | A | 53 | Low | 54 | Low | 97 Ų | 97 | 147.5 Ų | 147.5 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -43.4 | 131 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | C263 | A261-C263 PolarHBondContact O-N 2.89Š|
| 262 | K | 51.5 | Low | 54.7 | Low | 203 Ų | 203 | 151.2 Ų | 151.2 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | | | trans | -69.7 | 107.6 | 165.6 | -66.7 | 173.5 | -178.5 | 171.2 | 0 | 109.2 | | |
| 263 | C | 56.3 | Low | 54.9 | Low | 127 Ų | 127 | 149 Ų | 149 | 86% | 0.858 | 82% | 0.823 | S | S | * | * | | | trans | -100.4 | 93.7 | 165.2 | -153.3 | 0 | 0 | 0 | 0 | 108.8 | A261 A265 | A261-C263 PolarHBondContact O-N 2.89Å; C263-A265 PolarHBondContact O-N 3.19Å |
| 264 | T | 46.3 | Very low | 55.3 | Low | 136 Ų | 136 | 147 Ų | 147 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | | | trans | -84.9 | 98.1 | 176 | 50 | 0 | 0 | 0 | 0 | 110 | | |
| 265 | A | 63.3 | Low | 56.5 | Low | 83 Ų | 83 | 149.2 Ų | 149.2 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | | | trans | -141 | 104.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C263 K267 | C263-A265 PolarHBondContact O-N 3.19Å; A265-K267 PolarHBondContact O-N 3.17Å; A265-K267 VanDerWaalsContact O-N 3.12Å |
| 266 | K | 55.2 | Low | 56.9 | Low | 216 Ų | 216 | 148 Ų | 148 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | | | trans | -60.5 | 105.2 | 167.6 | -67.2 | 174.4 | 176.5 | 176.6 | 0 | 108.7 | | |
| 267 | K | 60.2 | Low | 58.2 | Low | 203 Ų | 203 | 151.3 Ų | 151.3 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -160.2 | 119.4 | 166.3 | -115.5 | 167.2 | -174.5 | 175.4 | 0 | 112.4 | A265 | A265-K267 PolarHBondContact O-N 3.17Å; A265-K267 VanDerWaalsContact O-N 3.12Å |
| 268 | R | 54.4 | Low | 59.6 | Low | 227 Ų | 227 | 147.8 Ų | 147.8 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | | | trans | 17.8 | 119.4 | 162.3 | -71.4 | -175.4 | 172.7 | -171.9 | -3.2 | 117.6 | K270 | R268-K270 PolarHBondContact O-N 2.8Š|
| 269 | V | 55.3 | Low | 61.4 | Low | 148 Ų | 148 | 149.1 Ų | 149.1 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | trans | -56.4 | 93.3 | 170.2 | -176 | 0 | 0 | 0 | 0 | 109.9 | | |
| 270 | K | 62.2 | Low | 62.8 | Low | 175 Ų | 175 | 150.8 Ų | 150.8 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | | | trans | -99.4 | 122.1 | 157.2 | -71.2 | -174.2 | 177.2 | -173.9 | 0 | 105.8 | R268 K272 | R268-K270 PolarHBondContact O-N 2.8Å; K270-K272 PolarHBondContact O-N 3.49Å |
| 271 | T | 59.9 | Low | 64 | Low | 133 Ų | 133 | 150.1 Ų | 150.1 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | -60.6 | 85.3 | 172.2 | 48.7 | 0 | 0 | 0 | 0 | 109.2 | N273 | T271-N273 PolarHBondContact O-N 3.24Š|
| 272 | K | 60.7 | Low | 65.6 | Low | 183 Ų | 183 | 150.8 Ų | 150.8 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | -78.1 | 116.9 | 168.4 | -78.3 | -176.4 | 174.5 | -178.8 | 0 | 106.7 | K270 A274 | K270-K272 PolarHBondContact O-N 3.49Å; K272-A274 PolarHBondContact O-N 3.12Å |
| 273 | N | 63.2 | Low | 67.5 | Low | 158 Ų | 158 | 145.2 Ų | 145.2 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -53.2 | 106.1 | 162.4 | -71.7 | -29.5 | 0 | 0 | 0 | 107.3 | T271 I275 | T271-N273 PolarHBondContact O-N 3.24Å; N273-I275 PolarHBondContact O-N 3.34Å |
| 274 | A | 63 | Low | 69 | Low | 87 Ų | 87 | 146 Ų | 146 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | | | trans | -76.3 | 111 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107 | K272 C276 | K272-A274 PolarHBondContact O-N 3.12Å; A274-C276 PolarHBondContact O-N 2.82Å; A274-C276 VanDerWaalsContact O-N 3.11Å |
| 275 | I | 69.3 | Low | 71.1 | Confident | 167 Ų | 167 | 149 Ų | 149 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -71.4 | 102.4 | 165.2 | -62.1 | 172.9 | 0 | 0 | 0 | 105.7 | N273 | N273-I275 PolarHBondContact O-N 3.34Š|
| 276 | C | 64.6 | Low | 72.4 | Confident | 114 Ų | 114 | 148.3 Ų | 148.3 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -86.8 | 111.1 | 168.6 | 38.7 | 0 | 0 | 0 | 0 | 108.4 | A274 | A274-C276 PolarHBondContact O-N 2.82Å; A274-C276 VanDerWaalsContact O-N 3.11Å |
| 277 | Q | 80.4 | Confident | 74.1 | Confident | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | | | trans | -86.3 | 113.2 | 167.1 | -176.5 | 175.1 | 2.2 | 0 | 0 | 107.9 | L279 | Q277-L279 PolarHBondContact O-N 3.42Å; Q277-L279 VanDerWaalsContact O-N 3.11Å |
| 278 | T | 75.7 | Confident | 75.4 | Confident | 112 Ų | 112 | 136.6 Ų | 136.6 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | trans | -72.6 | 103.7 | 174.4 | -36.1 | 0 | 0 | 0 | 0 | 108.7 | F280 | T278-F280 HydrophobicContact CG2-CE2 4.33Å; T278-F280 PolarHBondContact O-N 2.98Å |
| 279 | L | 85.7 | Confident | 76.8 | Confident | 134 Ų | 134 | 130.6 Ų | 130.6 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | | | trans | -81.3 | 111 | 171.5 | -172.6 | 73.4 | 0 | 0 | 0 | 108.5 | Q277 T281 | Q277-L279 PolarHBondContact O-N 3.42Å; Q277-L279 VanDerWaalsContact O-N 3.11Å; L279-T281 HydrophobicContact CD2-CG2 3.91Å; L279-T281 HydrophobicContact CG-CG2 4.18Å; L279-T281 PolarHBondContact O-N 3.4Å |
| 280 | F | 79.8 | Confident | 78.3 | Confident | 159 Ų | 159 | 128 Ų | 128 | 70% | 0.697 | 67% | 0.674 | S | S | * | * | | | trans | -78 | 111.4 | 168.4 | -78.5 | -86 | 0 | 0 | 0 | 109 | T278 F282 | T278-F280 HydrophobicContact CG2-CE2 4.33Å; T278-F280 PolarHBondContact O-N 2.98Å; F280-F282 HydrophobicContact CB-CE2 4.21Å; F280-F282 HydrophobicContact CB-CZ 4.31Å |
| 281 | T | 83.9 | Confident | 79.4 | Confident | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 122.5 | 169.8 | 45.2 | 0 | 0 | 0 | 0 | 109.3 | L279 | L279-T281 HydrophobicContact CD2-CG2 3.91Å; L279-T281 HydrophobicContact CG-CG2 4.18Å; L279-T281 PolarHBondContact O-N 3.4Å |
| 282 | F | 87.8 | Confident | 80.6 | Confident | 111 Ų | 111 | 123.8 Ų | 123.8 | 49% | 0.487 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -96 | 147.8 | 172.9 | -61.6 | -78 | 0 | 0 | 0 | 109.8 | F280 F286 M288 | F280-F282 HydrophobicContact CB-CE2 4.21Å; F280-F282 HydrophobicContact CB-CZ 4.31Å; F282-F286 HydrophobicContact CB-CB 3.8Å; F282-F286 HydrophobicContact CB-CD1 3.96Å; F282-F286 HydrophobicContact CB-CG 3.94Å; F282-F286 AromaticContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD2 4.27Å; F282-F286 AromaticContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE2 4.28Å; F282-F286 AromaticContact CD1-CG 3.93Å; F282-F286 HydrophobicContact CD1-CG 3.93Å; F282-F286 AromaticContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CE1-CD1 4.28Å; F282-F286 AromaticContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CZ 4.08Å; F282-F286 AromaticContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CE1 4.22Å; F282-F286 HydrophobicContact CG-CG 4.22Å; F282-M288 HydrophobicContact CE2-CE 4.46Å |
| 283 | P | 90.3 | Very high | 81.6 | Confident | 85 Ų | 85 | 116.3 Ų | 116.3 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 148 | 171.1 | -26.6 | 33.6 | 0 | 0 | 0 | 111.7 | K285 F286 | P283-K285 PolarHBondContact O-N 2.86Å; P283-F286 VanDerWaalsContact O-CB 3.3Å; P283-F286 WeakPolarHBondContact O-CB 3.44Å; P283-F286 PolarHBondContact O-N 2.96Å |
| 284 | P | 88.9 | Confident | 82 | Confident | 143 Ų | 143 | 114.9 Ų | 114.9 | 93% | 0.929 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -13 | -178.2 | -24.9 | 32.5 | 0 | 0 | 0 | 115.5 | | |
| 285 | K | 89.5 | Confident | 82.2 | Confident | 200 Ų | 200 | 115.6 Ų | 115.6 | 87% | 0.87 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 21.3 | -178.9 | -57.8 | -178.3 | -178.2 | 178.6 | 0 | 112.3 | P283 D287 | P283-K285 PolarHBondContact O-N 2.86Å; K285-D287 PolarHBondContact O-N 2.93Å |
| 286 | F | 90.3 | Very high | 82 | Confident | 69 Ų | 69 | 117.8 Ų | 117.8 | 30% | 0.303 | 61% | 0.606 | S | S | . | * | | | trans | -70.9 | 108.6 | 177.3 | -176.4 | -102.4 | 0 | 0 | 0 | 110.1 | F282 P283 M288 F291 | F282-F286 HydrophobicContact CB-CB 3.8Å; F282-F286 HydrophobicContact CB-CD1 3.96Å; F282-F286 HydrophobicContact CB-CG 3.94Å; F282-F286 AromaticContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD1 3.59Å; F282-F286 HydrophobicContact CD1-CD2 4.27Å; F282-F286 AromaticContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE1 3.59Å; F282-F286 HydrophobicContact CD1-CE2 4.28Å; F282-F286 AromaticContact CD1-CG 3.93Å; F282-F286 HydrophobicContact CD1-CG 3.93Å; F282-F286 AromaticContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CD1-CZ 3.95Å; F282-F286 HydrophobicContact CE1-CD1 4.28Å; F282-F286 AromaticContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CE1 3.82Å; F282-F286 HydrophobicContact CE1-CZ 4.08Å; F282-F286 AromaticContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CD1 3.84Å; F282-F286 HydrophobicContact CG-CE1 4.22Å; F282-F286 HydrophobicContact CG-CG 4.22Å; P283-F286 VanDerWaalsContact O-CB 3.3Å; P283-F286 WeakPolarHBondContact O-CB 3.44Å; P283-F286 PolarHBondContact O-N 2.96Å; F286-M288 HydrophobicContact CD1-CB 4.23Å; F286-M288 HydrophobicContact CE1-CB 4.05Å; F286-M288 HydrophobicContact CE1-CG 4.12Å; F286-M288 PolarHBondContact O-N 2.71Å; F286-F291 HydrophobicContact CE1-CB 4.29Å; F286-F291 HydrophobicContact CE2-CB 4.15Å; F286-F291 HydrophobicContact CE2-CD2 4.16Å; F286-F291 HydrophobicContact CE2-CG 4.19Å; F286-F291 HydrophobicContact CZ-CB 3.58Å; F286-F291 HydrophobicContact CZ-CD1 4.05Å; F286-F291 AromaticContact CZ-CD2 4Å; F286-F291 HydrophobicContact CZ-CD2 4Å; F286-F291 AromaticContact CZ-CG 3.6Å; F286-F291 HydrophobicContact CZ-CG 3.6Å |
| 287 | D | 90.6 | Very high | 82.1 | Confident | 71 Ų | 71 | 119.6 Ų | 119.6 | 38% | 0.38 | 60% | 0.601 | S | S | . | * | | | trans | -80.2 | 94.8 | 173.9 | -176.1 | -11.9 | 0 | 0 | 0 | 108.7 | K285 D289 F290 F291 K294 | K285-D287 PolarHBondContact O-N 2.93Å; D287-D289 VanDerWaalsContact C-N 3.26Å; D287-D289 PolarHBondContact O-N 3.01Å; D287-D289 WeakPolarHBondContact OD1-CB 3.42Å; D287-D289 PolarHBondContact OD1-N 3.02Å; D287-D289 VanDerWaalsContact OD1-N 3.15Å; D287-F290 HydrophobicContact CB-CB 3.76Å; D287-F290 WeakPolarHBondContact O-CB 2.89Å; D287-F290 PolarHBondContact O-N 3.18Å; D287-F290 PolarHBondContact OD1-N 2.72Å; D287-F290 WeakPolarHBondContact OD2-CB 3.43Å; D287-F291 PolarHBondContact O-N 3.07Å; D287-K294 IonicContact OD2-NZ 4Å |
| 288 | M | 87.2 | Confident | 81.3 | Confident | 101 Ų | 101 | 120.5 Ų | 120.5 | 50% | 0.498 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.9 | -34.6 | -179.7 | -163.4 | -173.5 | -77.3 | 0 | 0 | 111.3 | F282 F286 F290 F291 L292 | F282-M288 HydrophobicContact CE2-CE 4.46Å; F286-M288 HydrophobicContact CD1-CB 4.23Å; F286-M288 HydrophobicContact CE1-CB 4.05Å; F286-M288 HydrophobicContact CE1-CG 4.12Å; F286-M288 PolarHBondContact O-N 2.71Å; M288-F290 VanDerWaalsContact C-N 3.33Å; M288-F290 PolarHBondContact O-N 2.71Å; M288-F291 PolarHBondContact O-N 3.49Å; M288-L292 HydrophobicContact CG-CD1 3.89Å; M288-L292 HydrophobicContact CG-CG 4.34Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.44Å; M288-L292 WeakPolarHBondContact O-CG 3.12Å; M288-L292 PolarHBondContact O-N 3.35Å; M288-L292 HydrophobicContact SD-CD1 4.32Å |
| 289 | D | 84.2 | Confident | 80.6 | Confident | 101 Ų | 101 | 122.1 Ų | 122.1 | 54% | 0.54 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -35.7 | 177.2 | -66.7 | -35.9 | 0 | 0 | 0 | 111.5 | D287 G293 K294 | D287-D289 VanDerWaalsContact C-N 3.26Å; D287-D289 PolarHBondContact O-N 3.01Å; D287-D289 WeakPolarHBondContact OD1-CB 3.42Å; D287-D289 PolarHBondContact OD1-N 3.02Å; D287-D289 VanDerWaalsContact OD1-N 3.15Å; D289-G293 CarbonylContact O-C 3.16Å; D289-G293 WeakPolarHBondContact O-CA 3.39Å; D289-G293 PolarHBondContact O-N 2.79Å; D289-K294 HydrophobicContact CB-CG 4.31Å; D289-K294 WeakPolarHBondContact O-CA 3.34Å; D289-K294 PolarHBondContact O-N 2.91Å |
| 290 | F | 86.8 | Confident | 79.4 | Confident | 93 Ų | 93 | 119.6 Ų | 119.6 | 41% | 0.408 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.6 | -46.2 | 172.3 | 179.6 | -96.4 | 0 | 0 | 0 | 111.8 | M125 L128 D287 M288 G293 | M125-F290 HydrophobicContact CE-CE1 4.48Å; M125-F290 HydrophobicContact CE-CZ 4.2Å; M125-F290 HydrophobicContact SD-CE1 4.41Å; M125-F290 HydrophobicContact SD-CZ 4.18Å; L128-F290 HydrophobicContact CD1-CZ 4.27Å; L128-F290 HydrophobicContact CD2-CZ 4.5Å; D287-F290 HydrophobicContact CB-CB 3.76Å; D287-F290 WeakPolarHBondContact O-CB 2.89Å; D287-F290 PolarHBondContact O-N 3.18Å; D287-F290 PolarHBondContact OD1-N 2.72Å; D287-F290 WeakPolarHBondContact OD2-CB 3.43Å; M288-F290 VanDerWaalsContact C-N 3.33Å; M288-F290 PolarHBondContact O-N 2.71Å; F290-G293 PolarHBondContact O-N 2.82Å |
| 291 | F | 86 | Confident | 78.6 | Confident | 149 Ų | 149 | 119.2 Ų | 119.2 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.6 | -41.8 | -179.3 | -177.1 | -96.2 | 0 | 0 | 0 | 112.6 | F286 D287 M288 G293 | F286-F291 HydrophobicContact CE1-CB 4.29Å; F286-F291 HydrophobicContact CE2-CB 4.15Å; F286-F291 HydrophobicContact CE2-CD2 4.16Å; F286-F291 HydrophobicContact CE2-CG 4.19Å; F286-F291 HydrophobicContact CZ-CB 3.58Å; F286-F291 HydrophobicContact CZ-CD1 4.05Å; F286-F291 AromaticContact CZ-CD2 4Å; F286-F291 HydrophobicContact CZ-CD2 4Å; F286-F291 AromaticContact CZ-CG 3.6Å; F286-F291 HydrophobicContact CZ-CG 3.6Å; D287-F291 PolarHBondContact O-N 3.07Å; M288-F291 PolarHBondContact O-N 3.49Å; F291-G293 PolarHBondContact O-N 3.4Å |
| 292 | L | 84 | Confident | 77.5 | Confident | 72 Ų | 72 | 119.7 Ų | 119.7 | 38% | 0.377 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -73.8 | -10.9 | 174 | -67.8 | 177.1 | 0 | 0 | 0 | 111.6 | M288 F297 | M288-L292 HydrophobicContact CG-CD1 3.89Å; M288-L292 HydrophobicContact CG-CG 4.34Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.44Å; M288-L292 WeakPolarHBondContact O-CG 3.12Å; M288-L292 PolarHBondContact O-N 3.35Å; M288-L292 HydrophobicContact SD-CD1 4.32Å; L292-F297 HydrophobicContact CB-CD2 3.87Å; L292-F297 HydrophobicContact CD2-CD2 4.15Å; L292-F297 HydrophobicContact CD2-CE2 4.44Å; L292-F297 WeakPolarHBondContact O-CD2 3.3Å; L292-F297 WeakPolarHBondContact O-CE2 3.47Å |
| 293 | G | 82.5 | Confident | 75.7 | Confident | 25 Ų | 25 | 120.7 Ų | 120.7 | 26% | 0.258 | 61% | 0.611 | S | S | . | * | | | trans | 74.2 | 112 | -172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D289 F290 F291 S295 R296 | D289-G293 CarbonylContact O-C 3.16Å; D289-G293 WeakPolarHBondContact O-CA 3.39Å; D289-G293 PolarHBondContact O-N 2.79Å; F290-G293 PolarHBondContact O-N 2.82Å; F291-G293 PolarHBondContact O-N 3.4Å; G293-S295 PolarHBondContact O-N 3.44Å; G293-R296 PolarHBondContact O-N 2.97Å |
| 294 | K | 70.7 | Confident | 74 | Confident | 128 Ų | 128 | 122.7 Ų | 122.7 | 56% | 0.557 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | -14.4 | -169.7 | -68.2 | -175.3 | 173.6 | -175.1 | 0 | 116.2 | D287 D289 R298 | D287-K294 IonicContact OD2-NZ 4Å; D289-K294 HydrophobicContact CB-CG 4.31Å; D289-K294 WeakPolarHBondContact O-CA 3.34Å; D289-K294 PolarHBondContact O-N 2.91Å; K294-R298 PolarHBondContact O-NE 3.05Å |
| 295 | S | 67.2 | Low | 72.1 | Confident | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | -6.9 | -177.2 | 51.8 | 0 | 0 | 0 | 0 | 115.1 | G293 | G293-S295 PolarHBondContact O-N 3.44Š|
| 296 | R | 67 | Low | 70 | Confident | 212 Ų | 212 | 118.8 Ų | 118.8 | 80% | 0.8 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -28.4 | -170.8 | -65.6 | -163.3 | -164 | -168.2 | 6.1 | 114.6 | G293 | G293-R296 PolarHBondContact O-N 2.97Š|
| 297 | F | 66.1 | Low | 67.8 | Low | 153 Ų | 153 | 124.6 Ų | 124.6 | 67% | 0.671 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -120.6 | 22.2 | -179.8 | -55.9 | -72.1 | 0 | 0 | 0 | 113.8 | L292 L299 | L292-F297 HydrophobicContact CB-CD2 3.87Å; L292-F297 HydrophobicContact CD2-CD2 4.15Å; L292-F297 HydrophobicContact CD2-CE2 4.44Å; L292-F297 WeakPolarHBondContact O-CD2 3.3Å; L292-F297 WeakPolarHBondContact O-CE2 3.47Å; F297-L299 PolarHBondContact O-N 2.85Å |
| 298 | R | 62.8 | Low | 65.8 | Low | 192 Ų | 192 | 130.5 Ų | 130.5 | 73% | 0.725 | 66% | 0.656 | S | S | * | * | | | trans | -68.9 | 107.9 | 168.4 | -74.6 | -165.3 | 175.9 | -160.4 | -5.4 | 108 | K294 S300 | K294-R298 PolarHBondContact O-NE 3.05Å; R298-S300 PolarHBondContact O-N 3.38Å |
| 299 | L | 61.8 | Low | 63.6 | Low | 146 Ų | 146 | 129.1 Ų | 129.1 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | | | trans | -55.9 | 108.5 | 162.5 | -158 | 79.3 | 0 | 0 | 0 | 105.3 | F297 D301 | F297-L299 PolarHBondContact O-N 2.85Å; L299-D301 PolarHBondContact O-N 3.08Å; L299-D301 VanDerWaalsContact O-N 3.09Å |
| 300 | S | 60.9 | Low | 61.7 | Low | 81 Ų | 81 | 128.5 Ų | 128.5 | 57% | 0.566 | 68% | 0.677 | S | S | * | * | | | trans | -59.6 | 119.4 | -179.1 | 55.3 | 0 | 0 | 0 | 0 | 107.9 | R298 I302 | R298-S300 PolarHBondContact O-N 3.38Å; S300-I302 PolarHBondContact O-N 3.32Å |
| 301 | D | 62.2 | Low | 60 | Low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | | | trans | -69.1 | 41.2 | 169.9 | -69.9 | -37.5 | 0 | 0 | 0 | 110.9 | L299 T303 | L299-D301 PolarHBondContact O-N 3.08Å; L299-D301 VanDerWaalsContact O-N 3.09Å; D301-T303 PolarHBondContact O-N 3.21Å |
| 302 | I | 61.4 | Low | 58.4 | Low | 126 Ų | 126 | 137.1 Ų | 137.1 | 65% | 0.646 | 71% | 0.708 | S | S | * | * | | | trans | -70.3 | 91.6 | 169.5 | -63.4 | 168.1 | 0 | 0 | 0 | 105.1 | S300 V304 | S300-I302 PolarHBondContact O-N 3.32Å; I302-V304 HydrophobicContact CG2-CG2 3.74Å; I302-V304 PolarHBondContact O-N 3.17Å |
| 303 | T | 50.4 | Low | 56.9 | Low | 132 Ų | 132 | 145.4 Ų | 145.4 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | | | trans | -57 | 81 | 159.2 | 40.6 | 0 | 0 | 0 | 0 | 108 | D301 N305 | D301-T303 PolarHBondContact O-N 3.21Å; T303-N305 VanDerWaalsContact C-N 3.28Å; T303-N305 PolarHBondContact O-N 3.34Å |
| 304 | V | 54.2 | Low | 55.4 | Low | 128 Ų | 128 | 153.6 Ų | 153.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -67.3 | 99.5 | 164.2 | -173.5 | 0 | 0 | 0 | 0 | 106.2 | I302 N306 | I302-V304 HydrophobicContact CG2-CG2 3.74Å; I302-V304 PolarHBondContact O-N 3.17Å; V304-N306 PolarHBondContact O-N 3.18Å |
| 305 | N | 48.7 | Very low | 54.7 | Low | 128 Ų | 128 | 154.5 Ų | 154.5 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | -56.4 | 125.7 | 173.2 | -148.6 | 2.4 | 0 | 0 | 0 | 108.9 | T303 | T303-N305 VanDerWaalsContact C-N 3.28Å; T303-N305 PolarHBondContact O-N 3.34Å |
| 306 | N | 44.6 | Very low | 53.9 | Low | 133 Ų | 133 | 158.7 Ų | 158.7 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 56 | 123.7 | 156.6 | -59.9 | -27.2 | 0 | 0 | 0 | 119.7 | V304 | V304-N306 PolarHBondContact O-N 3.18Š|
| 307 | Q | 45.7 | Very low | 52.9 | Low | 190 Ų | 190 | 154.4 Ų | 154.4 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 85.6 | 75.5 | 168.5 | -50.6 | -164.4 | 14.4 | 0 | 0 | 116.7 | | |
| 308 | E | 47.4 | Very low | 52 | Low | 196 Ų | 196 | 155.2 Ų | 155.2 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | | 177.3 | 102.5 | 128.4 | -99.9 | 173.9 | 178.9 | 0 | 0 | 107.7 | | |
| 309 | G | 42 | Very low | 51.4 | Low | 72 Ų | 72 | 152.8 Ų | 152.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -72.3 | 158.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 310 | A | 44.4 | Very low | 50.8 | Low | 88 Ų | 88 | 154 Ų | 154 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 100.3 | 28.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 311 | F | 50.9 | Low | 50.3 | Low | 199 Ų | 199 | 157.4 Ų | 157.4 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -141.3 | 133.3 | 157.9 | -59.7 | -77.6 | 0 | 0 | 0 | 111.1 | | |
| 312 | R | 52.4 | Low | 49.4 | Very low | 224 Ų | 224 | 158.4 Ų | 158.4 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 80.4 | 85.7 | -178.8 | -55.5 | 179.3 | 169.4 | -149.2 | -1.6 | 116 | | |
| 313 | R | 52.6 | Low | 48.8 | Very low | 245 Ų | 245 | 158.7 Ų | 158.7 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | | | trans | 179 | 67.2 | 143.7 | -100.5 | -179.7 | -79.5 | -179.2 | -4.7 | 110.8 | | |
| 314 | K | 50.6 | Low | 48.7 | Very low | 198 Ų | 198 | 159.3 Ų | 159.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -150.7 | 61.5 | 165.2 | -73.6 | -161.7 | 179.4 | -178.7 | 0 | 111 | | |
| 315 | L | 55.4 | Low | 48.3 | Very low | 146 Ų | 146 | 162.8 Ų | 162.8 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -118.4 | 114.4 | 157.1 | -68.8 | 172 | 0 | 0 | 0 | 104.5 | | |
| 316 | F | 51.5 | Low | 48.6 | Very low | 192 Ų | 192 | 164.5 Ų | 164.5 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 74.8 | 69.7 | 174.1 | -35.7 | -70.6 | 0 | 0 | 0 | 117.7 | | |
| 317 | T | 44.3 | Very low | 49.1 | Very low | 121 Ų | 121 | 164 Ų | 164 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | -141.5 | 83.7 | 145 | 45.6 | 0 | 0 | 0 | 0 | 109.9 | H319 | T317-H319 PolarHBondContact O-N 3.29Å; T317-H319 VanDerWaalsContact O-N 3.12Å |
| 318 | L | 47.5 | Very low | 49.4 | Very low | 171 Ų | 171 | 162.1 Ų | 162.1 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -77.9 | 72.8 | 154.4 | -167.7 | 83.1 | 0 | 0 | 0 | 106.5 | H320 | L318-H320 PolarHBondContact O-N 2.96Š|
| 319 | H | 50.1 | Low | 49.6 | Very low | 141 Ų | 141 | 159.9 Ų | 159.9 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | | | trans | -83 | 96.1 | 171.2 | -137.5 | -71.7 | 0 | 0 | 0 | 107.2 | T317 Q321 | T317-H319 PolarHBondContact O-N 3.29Å; T317-H319 VanDerWaalsContact O-N 3.12Å; H319-Q321 VanDerWaalsContact C-N 3.33Å; H319-Q321 PolarHBondContact O-N 3.09Å; H319-Q321 VanDerWaalsContact O-N 3.07Å |
| 320 | H | 50.1 | Low | 49.7 | Very low | 172 Ų | 172 | 161.1 Ų | 161.1 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | -60.4 | 101.3 | 155.2 | -110.6 | -49.5 | 0 | 0 | 0 | 106.4 | L318 | L318-H320 PolarHBondContact O-N 2.96Š|
| 321 | Q | 48.9 | Very low | 49.9 | Very low | 151 Ų | 151 | 164.4 Ų | 164.4 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -129.2 | 94.8 | 160.9 | -134.4 | 174.9 | 3.6 | 0 | 0 | 106.6 | H319 D323 | H319-Q321 VanDerWaalsContact C-N 3.33Å; H319-Q321 PolarHBondContact O-N 3.09Å; H319-Q321 VanDerWaalsContact O-N 3.07Å; Q321-D323 PolarHBondContact O-N 3.12Å |
| 322 | Q | 43.3 | Very low | 49.7 | Very low | 174 Ų | 174 | 164.1 Ų | 164.1 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -50.5 | 126.4 | 148.3 | -71.2 | 169 | -53.4 | 0 | 0 | 106.4 | | |
| 323 | D | 49.7 | Very low | 49.3 | Very low | 131 Ų | 131 | 163.8 Ų | 163.8 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -176.4 | 106.1 | 146.8 | -85 | -24.7 | 0 | 0 | 0 | 108.8 | Q321 | Q321-D323 PolarHBondContact O-N 3.12Š|
| 324 | D | 48.2 | Very low | 49 | Very low | 146 Ų | 146 | 158.7 Ų | 158.7 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | 62.9 | 121.7 | 130.5 | -68.7 | -8.6 | 0 | 0 | 0 | 122.8 | | |
| 325 | K | 46.8 | Very low | 48.8 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | | | trans | 100.5 | 82.7 | 154.8 | -61.1 | -178.8 | -178.9 | -169.9 | 0 | 117.5 | | |
| 326 | L | 53.5 | Low | 48.2 | Very low | 164 Ų | 164 | 153.7 Ų | 153.7 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 139.7 | 144.1 | -72.2 | 171.2 | 0 | 0 | 0 | 109.6 | | |
| 327 | P | 56.8 | Low | 48 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 136.3 | 169.6 | 31.7 | -29.4 | 0 | 0 | 0 | 110 | | |
| 328 | I | 50.8 | Low | 48.1 | Very low | 151 Ų | 151 | 153 Ų | 153 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59 | 132.4 | 179.9 | -66.7 | 154.3 | 0 | 0 | 0 | 111.2 | P330 | I328-P330 HydrophobicContact CG2-CB 3.96Å; I328-P330 HydrophobicContact CG2-CG 3.99Å |
| 329 | D | 51.6 | Low | 48.1 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | -122.6 | 116.5 | 147.3 | -158.9 | -4.4 | 0 | 0 | 0 | 108.1 | | |
| 330 | P | 44.3 | Very low | 47.9 | Very low | 97 Ų | 97 | 155.1 Ų | 155.1 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | | | trans | -105.2 | 87.7 | -166.4 | 36.6 | -24.9 | 0 | 0 | 0 | 110.5 | I328 | I328-P330 HydrophobicContact CG2-CB 3.96Å; I328-P330 HydrophobicContact CG2-CG 3.99Å |
| 331 | Q | 48.8 | Very low | 47.7 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -139.9 | 131.8 | 159.9 | -67 | -163.9 | 5.3 | 0 | 0 | 111 | | |
| 332 | F | 46.5 | Very low | 47.5 | Very low | 193 Ų | 193 | 149 Ų | 149 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | 87.3 | 65.9 | 173.4 | -52 | -73.2 | 0 | 0 | 0 | 117.4 | | |
| 333 | Y | 43.7 | Very low | 47.6 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -77.7 | 144.2 | 153.1 | -122.3 | -102.9 | 0 | 0 | 0 | 110.5 | | |
| 334 | N | 45.9 | Very low | 47.2 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | 88.1 | 95.1 | 158.4 | -58.3 | -38.7 | 0 | 0 | 0 | 120 | | |
| 335 | S | 46.2 | Very low | 47 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | -169.9 | 110.5 | 104.2 | -90.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 336 | S | 44.1 | Very low | 46.9 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -74.9 | 137.3 | 163.5 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 337 | K | 46.9 | Very low | 46.8 | Very low | 191 Ų | 191 | 150 Ų | 150 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | | 148.9 | 120.4 | 121.8 | -85.8 | -179.8 | 177.1 | 178.4 | 0 | 112.2 | | |
| 338 | S | 45.2 | Very low | 46.4 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 41.6 | 124.5 | 138.9 | 63.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 339 | F | 47.9 | Very low | 46 | Very low | 188 Ų | 188 | 150 Ų | 150 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | | -173.2 | 147 | 118.5 | -163.7 | -117 | 0 | 0 | 0 | 111 | | |
| 340 | E | 46 | Very low | 45.9 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -63.5 | 156.9 | 178.7 | -68.6 | 165 | 130.9 | 0 | 0 | 113.5 | | |
| 341 | G | 46.7 | Very low | 46.3 | Very low | 64 Ų | 64 | 156.4 Ų | 156.4 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | trans | 154 | 90.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 342 | T | 45.5 | Very low | 46.6 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | 46.7 | 136.6 | 130.7 | 16.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 343 | T | 45.5 | Very low | 46.7 | Very low | 129 Ų | 129 | 155.7 Ų | 155.7 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | 73 | 110.9 | 147.3 | 50.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 344 | S | 39.8 | Very low | 46.9 | Very low | 103 Ų | 103 | 151 Ų | 151 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | | 71.9 | 104.6 | 92.7 | -163.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 345 | D | 44.8 | Very low | 46.9 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | | | | 172.5 | 133.9 | 120.1 | -95.7 | 8.2 | 0 | 0 | 0 | 113.9 | | |
| 346 | R | 43.6 | Very low | 47.2 | Very low | 213 Ų | 213 | 150.7 Ų | 150.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | | 69.5 | 102.4 | 123.3 | -159.9 | 178.5 | -162.5 | -178.6 | 3.3 | 118.5 | | |
| 347 | W | 52.2 | Low | 47.4 | Very low | 264 Ų | 264 | 153 Ų | 153 | 100% | 1 | 79% | 0.793 | S | S | * | * | | | trans | -112.3 | 107.5 | 154.4 | -74.8 | 54.9 | 0 | 0 | 0 | 108.2 | | |
| 348 | S | 47.6 | Very low | 47.6 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -92.1 | 132.3 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 349 | M | 42.3 | Very low | 48.2 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | trans | -71.9 | 133.7 | 161.1 | -74.4 | -169.5 | -71.1 | 0 | 0 | 109.9 | | |
| 350 | R | 50.7 | Low | 48.1 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | 174.1 | 163.1 | 139.2 | -98.2 | 179.2 | -146.1 | -157.7 | 6.9 | 109.9 | | |
| 351 | D | 53.3 | Low | 48.5 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | 110.6 | 119.3 | 173.6 | -58 | -9.1 | 0 | 0 | 0 | 110.9 | | |
| 352 | M | 53 | Low | 48.7 | Very low | 159 Ų | 159 | 156.5 Ų | 156.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | cis | -161.9 | 131.1 | 7.7 | -91.2 | 166.4 | 67.9 | 0 | 0 | 105.9 | | |
| 353 | E | 50.2 | Low | 48.9 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | | 41.2 | 127.3 | 88.2 | -96.9 | -179.8 | 170.6 | 0 | 0 | 114.2 | | |
| 354 | T | 47.7 | Very low | 49.3 | Very low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | | | | -177.7 | 137.7 | 64.5 | -45.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 355 | A | 45.7 | Very low | 49.4 | Very low | 79 Ų | 79 | 153.3 Ų | 153.3 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | | | trans | 50.4 | 133.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 356 | L | 52.6 | Low | 49.7 | Very low | 177 Ų | 177 | 159.3 Ų | 159.3 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | | | | -173.4 | 141.6 | 85.6 | -86.2 | 166.2 | 0 | 0 | 0 | 112.2 | | |
| 357 | L | 47.3 | Very low | 50 | Low | 163 Ų | 163 | 156.8 Ų | 156.8 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -100.7 | -164.5 | -173.6 | -92.8 | 163.6 | 0 | 0 | 0 | 111 | | |
| 358 | P | 52.9 | Low | 49.8 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | | -126.6 | -176.5 | -98.4 | 37 | -14.2 | 0 | 0 | 0 | 112.3 | | |
| 359 | E | 55.9 | Low | 49.7 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -159.4 | 136.9 | 144.1 | -118.4 | 176.8 | -166.1 | 0 | 0 | 112.3 | | |
| 360 | T | 45.9 | Very low | 49.9 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | | | trans | -86.6 | 143.9 | -179.1 | 43.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 361 | D | 55.2 | Low | 49.6 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -150.7 | 147.8 | 145.6 | -109.1 | -26 | 0 | 0 | 0 | 114.9 | | |
| 362 | K | 50.7 | Low | 49.3 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | | | trans | -84.8 | 154.6 | -163.1 | -65 | 170.6 | 174.4 | 172.9 | 0 | 113.3 | | |
| 363 | A | 49.4 | Very low | 48.8 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | | | | 140.7 | 127.1 | 113 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 364 | T | 53.3 | Low | 48.5 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | 51.6 | 127.9 | 141.4 | 52.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 365 | G | 43.6 | Very low | 48.3 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | cis | 153.6 | 161.5 | 17.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 366 | R | 49.6 | Very low | 48.3 | Very low | 253 Ų | 253 | 144.6 Ų | 144.6 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | | | trans | 90 | 101.6 | 172.1 | -61.3 | -171.2 | 179.5 | -161.7 | 0.4 | 119.3 | | |
| 367 | I | 49.8 | Very low | 48.2 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | | | trans | -86.3 | 145.2 | 145.2 | -67.6 | 170.2 | 0 | 0 | 0 | 105.1 | | |
| 368 | P | 49 | Very low | 48.1 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | | -155.6 | 151 | 76.5 | 42.2 | -19.4 | 0 | 0 | 0 | 120.4 | | |
| 369 | S | 45.1 | Very low | 47.5 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | 34.5 | 121.5 | 140.3 | 66.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 370 | K | 47 | Very low | 46.9 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -158.6 | 126.4 | 132.1 | -109.3 | 167.4 | -172.9 | -177.4 | 0 | 110.6 | | |
| 371 | A | 44.3 | Very low | 47.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -68 | 139.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 372 | S | 48 | Very low | 46.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -132.2 | 101.7 | 167.5 | -51.1 | 0 | 0 | 0 | 0 | 107.9 | L374 | S372-L374 PolarHBondContact O-N 3.36Š|
| 373 | T | 42.5 | Very low | 46.4 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | -56.3 | 122.7 | 167.4 | -46.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 374 | L | 42.6 | Very low | 46.1 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | | | trans | -106.9 | 103.3 | 167.1 | -100 | 163.9 | 0 | 0 | 0 | 108.6 | S372 | S372-L374 PolarHBondContact O-N 3.36Š|
| 375 | S | 44.4 | Very low | 45.8 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 118.5 | 163.8 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 376 | F | 46 | Very low | 46.2 | Very low | 194 Ų | 194 | 140 Ų | 140 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -87.4 | 106 | 163.5 | -79.1 | -84.4 | 0 | 0 | 0 | 108.4 | | |
| 377 | L | 49.5 | Very low | 46.1 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -76.8 | 134 | 169.1 | -137.8 | 89.1 | 0 | 0 | 0 | 108.5 | D379 | L377-D379 PolarHBondContact O-N 3.16Š|
| 378 | C | 44.7 | Very low | 45.9 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -68.9 | 115.7 | 168.8 | -81.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 379 | D | 40.8 | Very low | 45.5 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | trans | -89.8 | 118.7 | 162.4 | -81.1 | -24.4 | 0 | 0 | 0 | 110.2 | L377 I381 | L377-D379 PolarHBondContact O-N 3.16Å; D379-I381 PolarHBondContact O-N 3.39Å |
| 380 | S | 44.3 | Very low | 45.4 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -64.5 | 113.2 | 168.6 | -73.9 | 0 | 0 | 0 | 0 | 110 | | |
| 381 | I | 49.3 | Very low | 45.3 | Very low | 164 Ų | 164 | 134 Ų | 134 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | | | trans | -84.6 | 120.9 | 168.6 | -54.7 | 178.2 | 0 | 0 | 0 | 108.3 | D379 | D379-I381 PolarHBondContact O-N 3.39Š|
| 382 | H | 48.6 | Very low | 45.2 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | -55.4 | 137.8 | -179.8 | -77.1 | 15.5 | 0 | 0 | 0 | 113.6 | G384 | H382-G384 PolarHBondContact O-N 3.12Å; H382-G384 VanDerWaalsContact O-N 3.16Å |
| 383 | S | 43.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 141 Ų | 141 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -62.1 | 104.4 | 163 | -43 | 0 | 0 | 0 | 0 | 109.9 | | |
| 384 | G | 43.2 | Very low | 45.2 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | -87.4 | 105.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | H382 L386 | H382-G384 PolarHBondContact O-N 3.12Å; H382-G384 VanDerWaalsContact O-N 3.16Å; G384-L386 PolarHBondContact O-N 2.77Å |
| 385 | A | 45.3 | Very low | 45.1 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -64.4 | 125.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 386 | L | 53.5 | Low | 45.2 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | -95.6 | 108.6 | 164.5 | -74.5 | 174.6 | 0 | 0 | 0 | 108.6 | G384 L388 | G384-L386 PolarHBondContact O-N 2.77Å; L386-L388 PolarHBondContact O-N 2.81Å |
| 387 | D | 46.3 | Very low | 44.9 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -67.3 | 112.3 | 169.2 | -177.8 | 6.9 | 0 | 0 | 0 | 109.4 | S389 | D387-S389 WeakPolarHBondContact OD1-CB 3.37Å; D387-S389 PolarHBondContact OD1-N 2.92Å; D387-S389 VanDerWaalsContact OD1-N 3.11Å; D387-S389 PolarHBondContact OD1-OG 2.81Å; D387-S389 PolarHBondContact OD2-OG 3.49Å |
| 388 | L | 45.5 | Very low | 45 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -108.7 | 65.4 | 167.6 | -74.3 | 171.8 | 0 | 0 | 0 | 108.7 | L386 | L386-L388 PolarHBondContact O-N 2.81Š|
| 389 | S | 40.7 | Very low | 44.9 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 55% | 0.552 | 81% | 0.81 | S | S | * | * | | | trans | -107 | 112.9 | 161.6 | 62.1 | 0 | 0 | 0 | 0 | 108.9 | D387 | D387-S389 WeakPolarHBondContact OD1-CB 3.37Å; D387-S389 PolarHBondContact OD1-N 2.92Å; D387-S389 VanDerWaalsContact OD1-N 3.11Å; D387-S389 PolarHBondContact OD1-OG 2.81Å; D387-S389 PolarHBondContact OD2-OG 3.49Å |
| 390 | S | 44.3 | Very low | 45.3 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 147.7 | 76.3 | 152.9 | -68 | 0 | 0 | 0 | 0 | 112 | | |
| 391 | M | 44.7 | Very low | 45.6 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | | | trans | -146.9 | 95.5 | 143.8 | -108.1 | -151.3 | 61.9 | 0 | 0 | 109.1 | | |
| 392 | Q | 42.6 | Very low | 45.5 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | -109.1 | 125.5 | -175 | -166.4 | 173 | 26 | 0 | 0 | 108.7 | | |
| 393 | R | 40.1 | Very low | 45.7 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | | | trans | 62.7 | 123 | 151.1 | -67.7 | 170.8 | -173.8 | 168.6 | -0.5 | 118.2 | | |
| 394 | L | 50.4 | Low | 45.9 | Very low | 174 Ų | 174 | 145 Ų | 145 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | | -158.3 | 101.2 | 113.9 | -96.2 | 164.6 | 0 | 0 | 0 | 109.1 | | |
| 395 | N | 39.7 | Very low | 46.8 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -77.4 | 134 | 159 | -103 | -19 | 0 | 0 | 0 | 107.5 | | |
| 396 | N | 46 | Very low | 46.9 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | -156.3 | 140.8 | 142.4 | -128.3 | -11.5 | 0 | 0 | 0 | 114.5 | | |
| 397 | R | 39.9 | Very low | 47 | Very low | 212 Ų | 212 | 148.8 Ų | 148.8 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -66.3 | 158.9 | -179.5 | -76 | 165.6 | 140.8 | 141.9 | -7.4 | 113.4 | | |
| 398 | N | 51.6 | Low | 46.9 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | 174.9 | 101.3 | 131.4 | -79.2 | -20.6 | 0 | 0 | 0 | 107.6 | | |
| 399 | N | 43.8 | Very low | 47.4 | Very low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | | 58.2 | 126.4 | 81.4 | -96.7 | 5.8 | 0 | 0 | 0 | 117.6 | | |
| 400 | L | 49.1 | Very low | 47.6 | Very low | 142 Ų | 142 | 153.7 Ų | 153.7 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 98.7 | 131.9 | 140.5 | -83.4 | 148 | 0 | 0 | 0 | 121.9 | | |
| 401 | N | 50.7 | Low | 48 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 87.2 | 145.1 | 153.7 | -58.4 | -8.2 | 0 | 0 | 0 | 118.3 | | |
| 402 | D | 47.4 | Very low | 48.5 | Very low | 131 Ų | 131 | 153 Ų | 153 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | cis | 178.8 | 168 | -28 | -115.7 | -22.7 | 0 | 0 | 0 | 105.1 | | |
| 403 | D | 51.3 | Low | 48.6 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 78.9 | 115.2 | 162 | -54.8 | -30.6 | 0 | 0 | 0 | 118.3 | | |
| 404 | A | 48.4 | Very low | 49.4 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | cis | 106.3 | 155.7 | 41.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 405 | M | 60.6 | Low | 49.5 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | | | trans | 102.6 | 136.9 | 173.9 | -52.4 | -64.7 | -95.6 | 0 | 0 | 116.1 | | |
| 406 | D | 48.6 | Very low | 49.9 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | cis | -175.9 | 172.8 | -31.6 | -159.2 | -4.5 | 0 | 0 | 0 | 106 | | |
| 407 | T | 55.3 | Low | 50.1 | Low | 117 Ų | 117 | 144.8 Ų | 144.8 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | trans | 89.9 | 101.1 | 166.1 | 73.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 408 | S | 45.5 | Very low | 50.5 | Low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | | 79.4 | 113.4 | 54.7 | 81.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 409 | Y | 55.3 | Low | 50.2 | Low | 238 Ų | 238 | 139.7 Ų | 139.7 | 93% | 0.933 | 76% | 0.755 | S | S | * | * | | | trans | -159.3 | 120.4 | 137.6 | -105.9 | -77.7 | 0 | 0 | 0 | 110.4 | | |
| 410 | N | 43.8 | Very low | 50.4 | Low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | | | trans | -78.7 | 162.6 | 171.3 | -89.4 | -39.6 | 0 | 0 | 0 | 111.2 | | |
| 411 | V | 53.1 | Low | 50.3 | Low | 133 Ų | 133 | 139.6 Ų | 139.6 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | | | | 179.9 | 126.4 | 118.6 | 156.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 412 | H | 56.2 | Low | 50.2 | Low | 166 Ų | 166 | 141.1 Ų | 141.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | 64.9 | 119.5 | 152.7 | -105.3 | -61.7 | 0 | 0 | 0 | 125.2 | | |
| 413 | M | 44.3 | Very low | 50.3 | Low | 177 Ų | 177 | 140.9 Ų | 140.9 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | | | trans | -108.7 | 147.8 | 154.3 | -85.1 | -96.3 | -164.9 | 0 | 0 | 109.8 | | |
| 414 | E | 56.8 | Low | 50.4 | Low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -167 | 146.9 | 148.5 | -87.7 | -160.7 | 128.4 | 0 | 0 | 105.4 | | |
| 415 | N | 53 | Low | 50.3 | Low | 120 Ų | 120 | 144.6 Ų | 144.6 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | | | cis | -169.1 | 128.4 | -12 | -99.5 | -19.3 | 0 | 0 | 0 | 106.3 | | |
| 416 | T | 47.6 | Very low | 49.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | trans | 58.6 | 163.9 | 133 | 7.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 417 | P | 50.5 | Low | 49.3 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | | -139.8 | -157.6 | -118 | 34.6 | -7.4 | 0 | 0 | 0 | 115.8 | | |
| 418 | V | 47.6 | Very low | 48.7 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | 85.6 | 132.1 | 163.8 | -161.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 419 | N | 45.6 | Very low | 48.7 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | cis | -161.1 | 168.5 | 43.1 | -153.3 | -2.1 | 0 | 0 | 0 | 113.8 | | |
| 420 | E | 47.1 | Very low | 48.1 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | trans | -63.4 | 171.1 | -176.9 | -57.4 | 171 | 137.3 | 0 | 0 | 119.2 | | |
| 421 | N | 46.9 | Very low | 48.3 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | | | trans | 85.7 | 110.3 | 150.8 | -56 | -38.7 | 0 | 0 | 0 | 117.9 | | |
| 422 | D | 50 | Low | 48 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | | -164.2 | 151.2 | 100.6 | -141.9 | -12.9 | 0 | 0 | 0 | 113.6 | | |
| 423 | V | 49 | Very low | 48 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -88.9 | 141.8 | -170.1 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 424 | G | 52.6 | Low | 48.5 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -160.3 | 83.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 425 | R | 45.8 | Very low | 48.2 | Very low | 235 Ų | 235 | 134.3 Ų | 134.3 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | -54.5 | 141.7 | 169.4 | -76 | 175.3 | 169.7 | -169.1 | -3 | 112.3 | | |
| 426 | C | 46.9 | Very low | 48.4 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | trans | -155.1 | 121.7 | 136.9 | -104.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 427 | A | 41.7 | Very low | 48.6 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -88.7 | 143.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 428 | F | 43.3 | Very low | 49.4 | Very low | 217 Ų | 217 | 136.9 Ų | 136.9 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | | | trans | -140.8 | 121.5 | 156 | -120.1 | -88.6 | 0 | 0 | 0 | 109.2 | | |
| 429 | C | 44.4 | Very low | 50.3 | Low | 123 Ų | 123 | 136.7 Ų | 136.7 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -80.3 | 151.8 | 178.5 | -66 | 0 | 0 | 0 | 0 | 111 | | |
| 430 | G | 43.4 | Very low | 51 | Low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -172.8 | 68.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 431 | N | 48.5 | Very low | 51.1 | Low | 166 Ų | 166 | 132.9 Ų | 132.9 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | 21 | 101.5 | 155.5 | -58.2 | -7.1 | 0 | 0 | 0 | 119 | | |
| 432 | G | 46.3 | Very low | 51.3 | Low | 79 Ų | 79 | 137.2 Ų | 137.2 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | -102.2 | 118.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E434 | G432-E434 PolarHBondContact O-N 3.45Š|
| 433 | S | 57.1 | Low | 51.3 | Low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -82.8 | 104.3 | 166.4 | 53.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 434 | E | 53.8 | Low | 51.5 | Low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | -87.2 | 119.9 | 172 | -163.9 | 172.4 | -163.5 | 0 | 0 | 108.5 | G432 | G432-E434 PolarHBondContact O-N 3.45Š|
| 435 | I | 50.5 | Low | 51 | Low | 147 Ų | 147 | 138.6 Ų | 138.6 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | trans | -90.1 | 105.8 | 173 | -55.4 | 174.5 | 0 | 0 | 0 | 106.5 | | |
| 436 | V | 58.2 | Low | 51.2 | Low | 126 Ų | 126 | 132.5 Ų | 132.5 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 120.1 | 170.4 | 176 | 0 | 0 | 0 | 0 | 108.3 | | |
| 437 | L | 50.8 | Low | 50.9 | Low | 162 Ų | 162 | 132.4 Ų | 132.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 123.5 | 171 | -72.8 | 168 | 0 | 0 | 0 | 109.9 | | |
| 438 | D | 67 | Low | 51.1 | Low | 114 Ų | 114 | 136.2 Ų | 136.2 | 61% | 0.61 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 140.3 | 163.8 | 160.2 | -6.1 | 0 | 0 | 0 | 109.8 | N440 | D438-N440 PolarHBondContact O-N 3.43Å; D438-N440 VanDerWaalsContact OD1-CB 3.23Å; D438-N440 WeakPolarHBondContact OD1-CB 3.35Å; D438-N440 VanDerWaalsContact OD1-CG 3.24Å; D438-N440 PolarHBondContact OD1-N 3.48Å; D438-N440 PolarHBondContact OD1-ND2 2.73Å |
| 439 | S | 66.7 | Low | 51 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 6.3 | 175 | 43.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 440 | N | 60.3 | Low | 51.2 | Low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 7.5 | -171.1 | -66 | -40.8 | 0 | 0 | 0 | 117.4 | D438 R442 | D438-N440 PolarHBondContact O-N 3.43Å; D438-N440 VanDerWaalsContact OD1-CB 3.23Å; D438-N440 WeakPolarHBondContact OD1-CB 3.35Å; D438-N440 VanDerWaalsContact OD1-CG 3.24Å; D438-N440 PolarHBondContact OD1-N 3.48Å; D438-N440 PolarHBondContact OD1-ND2 2.73Å; N440-R442 PolarHBondContact O-N 3.11Å |
| 441 | G | 49.1 | Very low | 51.1 | Low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | 53.4 | 32.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 442 | R | 51.3 | Low | 51 | Low | 225 Ų | 225 | 129.1 Ų | 129.1 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | | | trans | -127.3 | 117.6 | 173.8 | -100.3 | -175 | 170.1 | -174 | -2.6 | 112.3 | N440 | N440-R442 PolarHBondContact O-N 3.11Š|
| 443 | V | 51.2 | Low | 50.8 | Low | 140 Ų | 140 | 128.9 Ų | 128.9 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -88.3 | 111.6 | 170.4 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 444 | N | 52.6 | Low | 50.4 | Low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | -92.7 | 122.5 | 169.9 | -68 | -22.9 | 0 | 0 | 0 | 109 | | |
| 445 | S | 41.7 | Very low | 50.6 | Low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -89.2 | 118.5 | 169.3 | -41.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 446 | S | 50.6 | Low | 50.7 | Low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -160.2 | 98.8 | 159.5 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 447 | T | 39.6 | Very low | 51.1 | Low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | | | trans | 18.8 | 129 | 135.3 | -43.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 448 | L | 46.9 | Very low | 50.9 | Low | 168 Ų | 168 | 137.6 Ų | 137.6 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -140.3 | 124.3 | 141.6 | -136.2 | 139.6 | 0 | 0 | 0 | 109.7 | | |
| 449 | A | 40.8 | Very low | 49.9 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 62% | 0.62 | 81% | 0.81 | S | S | * | * | | | trans | -84.2 | 146.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 450 | N | 48.1 | Very low | 49 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | | | trans | -173.1 | 103.7 | 151.6 | -88 | -26.8 | 0 | 0 | 0 | 106.2 | | |
| 451 | A | 42.6 | Very low | 48.3 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | | | | 86.2 | 128.8 | 81.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 452 | A | 46.3 | Very low | 48.1 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | 70.9 | 125.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 453 | G | 40.6 | Very low | 48 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | cis | 119.3 | 77.4 | 22.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 454 | Q | 50.4 | Low | 47.9 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -139.1 | 108.4 | 166.9 | -87.8 | -171.4 | -19.1 | 0 | 0 | 110.7 | | |
| 455 | K | 56.5 | Low | 47.6 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 139 | 163.3 | -79.2 | 178.9 | 169.9 | -176 | 0 | 109.1 | | |
| 456 | W | 53.5 | Low | 48.3 | Very low | 248 Ų | 248 | 137.7 Ų | 137.7 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 126.6 | 158.8 | -72.7 | 73.7 | 0 | 0 | 0 | 108.3 | | |
| 457 | P | 66.9 | Low | 48.3 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 129.3 | 165.4 | 32.2 | -25.4 | 0 | 0 | 0 | 110.5 | | |
| 458 | D | 45.6 | Very low | 49.1 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 161 | 155 | -67.8 | -50 | 0 | 0 | 0 | 110.5 | | |
| 459 | S | 46.9 | Very low | 49.1 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | | | trans | 96.8 | 103.2 | 163.7 | -36.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 460 | L | 47.8 | Very low | 49.8 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 100% | 0.995 | 83% | 0.826 | S | S | * | * | | | trans | -130.7 | 97.1 | 142.6 | -79.9 | 176.7 | 0 | 0 | 0 | 108.4 | | |
| 461 | S | 44.3 | Very low | 49.5 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | | | trans | -112 | 130.2 | 158.3 | 55 | 0 | 0 | 0 | 0 | 108.1 | | |
| 462 | A | 45.4 | Very low | 50 | Low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | | | trans | 75.7 | 138.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 463 | V | 49.2 | Very low | 50.2 | Low | 128 Ų | 128 | 142.1 Ų | 142.1 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | | | trans | 79.5 | 104.4 | 155.9 | -160.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 464 | D | 48.9 | Very low | 50.8 | Low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | | -151.4 | 114.5 | 122.2 | -142.9 | -0.5 | 0 | 0 | 0 | 111.1 | | |
| 465 | E | 46.8 | Very low | 50.9 | Low | 182 Ų | 182 | 145.5 Ų | 145.5 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | | | trans | -85.8 | 123.2 | 162.8 | -82.4 | 177.5 | 135.5 | 0 | 0 | 107.1 | | |
| 466 | S | 57.1 | Low | 51 | Low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -134.5 | 126.6 | 161.7 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 467 | H | 50.4 | Low | 51.3 | Low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | | | trans | -28.1 | 131.3 | 176.2 | -64.8 | -88 | 0 | 0 | 0 | 118.4 | | |
| 468 | G | 55.8 | Low | 50.6 | Low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -139.9 | 95.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 469 | T | 46.9 | Very low | 51 | Low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -75.6 | 117.1 | -179.5 | -44.7 | 0 | 0 | 0 | 0 | 111 | | |
| 470 | L | 55.3 | Low | 51.4 | Low | 173 Ų | 173 | 137.5 Ų | 137.5 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -140.5 | 122.9 | 157.8 | -81.4 | 175.9 | 0 | 0 | 0 | 110.6 | | |
| 471 | T | 41.9 | Very low | 51.4 | Low | 128 Ų | 128 | 140.4 Ų | 140.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -76.7 | 131.7 | 176.8 | 42.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 472 | A | 52.7 | Low | 51.7 | Low | 97 Ų | 97 | 139.2 Ų | 139.2 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -172.6 | 142.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 473 | N | 51 | Low | 51.8 | Low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | -75.6 | 148 | -166.9 | -48.6 | -38.8 | 0 | 0 | 0 | 113.1 | | |
| 474 | N | 52.8 | Low | 52.1 | Low | 157 Ų | 157 | 146.1 Ų | 146.1 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | | 171.3 | 155.2 | 117.2 | -84 | -24 | 0 | 0 | 0 | 112.2 | | |
| 475 | E | 52.8 | Low | 52 | Low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | -75.3 | 163.4 | -158.9 | -59.3 | 165.9 | 137.1 | 0 | 0 | 115.3 | | |
| 476 | D | 58.5 | Low | 52.7 | Low | 122 Ų | 122 | 144 Ų | 144 | 65% | 0.652 | 81% | 0.814 | S | S | * | * | | | | 121.1 | 117.2 | 125.3 | -142.2 | 26.9 | 0 | 0 | 0 | 117.7 | | |
| 477 | K | 59.6 | Low | 52.6 | Low | 180 Ų | 180 | 145.9 Ų | 145.9 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | 43.6 | 137.3 | 158.7 | -33.8 | -160.2 | 171.3 | 76.4 | 0 | 119.3 | | |
| 478 | G | 52 | Low | 52.5 | Low | 68 Ų | 68 | 142.5 Ų | 142.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | cis | 155 | 142.9 | 12.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 479 | H | 53.7 | Low | 52.2 | Low | 193 Ų | 193 | 142.2 Ų | 142.2 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | | | trans | 83 | 150.2 | 157.1 | -76.4 | -43.2 | 0 | 0 | 0 | 123.2 | | |
| 480 | P | 55.6 | Low | 52.3 | Low | 103 Ų | 103 | 144.5 Ų | 144.5 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | | | trans | -126.7 | 171.1 | -137.9 | 40.1 | -22.1 | 0 | 0 | 0 | 115.9 | | |
| 481 | R | 48.9 | Very low | 52.4 | Low | 250 Ų | 250 | 141 Ų | 141 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | | | trans | 44 | 121.2 | 146.3 | -80.1 | -176 | 166.9 | -146.4 | -2.8 | 120 | | |
| 482 | G | 51.3 | Low | 52.9 | Low | 79 Ų | 79 | 140.3 Ų | 140.3 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | -165.4 | 76.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 483 | S | 45.8 | Very low | 53.1 | Low | 121 Ų | 121 | 145.7 Ų | 145.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -86.5 | 124.2 | 166.1 | -48.2 | 0 | 0 | 0 | 0 | 109 | | |
| 484 | R | 55.4 | Low | 53.4 | Low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -137.6 | 109.2 | 162.6 | -79.8 | -170.8 | 172.3 | -173 | -2.3 | 109.5 | | |
| 485 | S | 48.5 | Very low | 53.9 | Low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | -71.7 | 134.9 | 157.9 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 486 | L | 61.1 | Low | 54 | Low | 173 Ų | 173 | 143.4 Ų | 143.4 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | | | trans | -118 | 111.5 | 163.2 | -73.7 | 174.4 | 0 | 0 | 0 | 107.6 | | |
| 487 | D | 55.6 | Low | 54.2 | Low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | -109.4 | 160.4 | 167.1 | -171.1 | 13.4 | 0 | 0 | 0 | 107.5 | | |
| 488 | S | 46.9 | Very low | 54.3 | Low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | 84 | 127 | 172.1 | 75.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 489 | G | 49.5 | Very low | 54.9 | Low | 77 Ų | 77 | 145.9 Ų | 145.9 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | 166 | 49 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 490 | I | 48.7 | Very low | 55.3 | Low | 170 Ų | 170 | 143 Ų | 143 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -77.1 | 119.4 | 165.5 | -60.5 | 170.9 | 0 | 0 | 0 | 107.4 | | |
| 491 | A | 57.3 | Low | 55.8 | Low | 98 Ų | 98 | 145.8 Ų | 145.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -131.5 | 101 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 492 | S | 52.2 | Low | 56.3 | Low | 115 Ų | 115 | 146.3 Ų | 146.3 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | -69.7 | 125.9 | 165.7 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 493 | R | 57.6 | Low | 56.6 | Low | 209 Ų | 209 | 149.7 Ų | 149.7 | 79% | 0.789 | 83% | 0.834 | S | S | * | * | | | trans | -117.8 | 103.7 | 173.6 | -160.5 | 176.6 | -175.5 | 178.4 | 0.6 | 108.8 | M495 | R493-M495 HydrophobicContact CG-CG 4.22Š|
| 494 | N | 58.3 | Low | 57.1 | Low | 154 Ų | 154 | 151.2 Ų | 151.2 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | | | trans | -80.2 | 129.2 | 160.7 | -76 | -14.2 | 0 | 0 | 0 | 108 | | |
| 495 | M | 62.1 | Low | 57.2 | Low | 150 Ų | 150 | 146.2 Ų | 146.2 | 74% | 0.739 | 83% | 0.829 | S | S | * | * | | | trans | -129.9 | 103.6 | 165.7 | -71 | -99.9 | 106.2 | 0 | 0 | 107.1 | R493 | R493-M495 HydrophobicContact CG-CG 4.22Š|
| 496 | T | 55.5 | Low | 57.7 | Low | 130 Ų | 130 | 148 Ų | 148 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | | | trans | -86.8 | 133.2 | 159.7 | 45.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 497 | S | 63.3 | Low | 57.5 | Low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | | | trans | 161.8 | 136.7 | 131.5 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 498 | H | 60.3 | Low | 57.7 | Low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | | | trans | 58.8 | 121 | 143.3 | -91.1 | -11 | 0 | 0 | 0 | 119.7 | | |
| 499 | D | 65.2 | Low | 58.4 | Low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 83% | 0.83 | S | S | * | * | | | | -163.4 | 136.8 | 86.3 | -91 | -34.8 | 0 | 0 | 0 | 110.5 | | |
| 500 | D | 62.9 | Low | 59.1 | Low | 133 Ų | 133 | 154.1 Ų | 154.1 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | | | trans | -71.2 | 142.7 | 164.6 | -72.5 | -59.4 | 0 | 0 | 0 | 109.5 | | |
| 501 | D | 65 | Low | 60 | Low | 161 Ų | 161 | 152.8 Ų | 152.8 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | | | trans | -173.9 | 123.7 | 139.2 | -101.8 | -24 | 0 | 0 | 0 | 111 | | |
| 502 | M | 60.3 | Low | 60.2 | Low | 261 Ų | 261 | 157.7 Ų | 157.7 | 100% | 1.286 | 83% | 0.831 | S | S | * | * | | | trans | 72.6 | 0 | 162.1 | -66 | -85 | -153.3 | 0 | 0 | 120.6 | | |