| 1 | M | 68 | Low | 81.3 | Confident | 227 Ų | 227 | 131.4 Ų | 131.4 | 100% | 1.118 | 80% | 0.797 | S | S | * | * | | | | 0 | 131.9 | 0 | -63.9 | -132.6 | 71.3 | 0 | 0 | 107.8 | | |
| 2 | P | 72.5 | Confident | 81.5 | Confident | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 140.1 | 178 | 26.5 | -30.9 | 0 | 0 | 0 | 110.1 | | |
| 3 | V | 75.5 | Confident | 81.4 | Confident | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132.2 | 179.4 | -166.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 4 | P | 82.6 | Confident | 81.5 | Confident | 106 Ų | 106 | 127.2 Ų | 127.2 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.8 | 177.8 | 25.5 | -33.2 | 0 | 0 | 0 | 110.1 | | |
| 5 | P | 84.2 | Confident | 81.3 | Confident | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 149.3 | 177.6 | 26.6 | -33.6 | 0 | 0 | 0 | 110.4 | | |
| 6 | P | 84.8 | Confident | 81 | Confident | 115 Ų | 115 | 125.2 Ų | 125.2 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 148.2 | 177.8 | 26.2 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 7 | P | 84.9 | Confident | 80.8 | Confident | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.6 | 177.7 | 26.4 | -33.4 | 0 | 0 | 0 | 110.6 | | |
| 8 | P | 85.9 | Confident | 80.5 | Confident | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 151 | 177.7 | 26.4 | -33.6 | 0 | 0 | 0 | 110.8 | | |
| 9 | P | 86.1 | Confident | 79.7 | Confident | 112 Ų | 112 | 124.4 Ų | 124.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61 | 149.5 | 176.9 | 26.4 | -33.9 | 0 | 0 | 0 | 110.9 | | |
| 10 | P | 84.3 | Confident | 79.2 | Confident | 125 Ų | 125 | 122.7 Ų | 122.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.2 | 175.9 | 26.1 | -32.9 | 0 | 0 | 0 | 110.1 | | |
| 11 | L | 85.1 | Confident | 78.9 | Confident | 163 Ų | 163 | 122.3 Ų | 122.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 144.7 | 175.2 | -67.3 | 174.2 | 0 | 0 | 0 | 110.1 | | |
| 12 | P | 83.9 | Confident | 79.1 | Confident | 108 Ų | 108 | 116.9 Ų | 116.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 147.7 | 174.4 | 26.2 | -33.3 | 0 | 0 | 0 | 110.2 | | |
| 13 | P | 80.5 | Confident | 79.2 | Confident | 115 Ų | 115 | 116.6 Ų | 116.6 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 145.8 | 176 | 26 | -33.5 | 0 | 0 | 0 | 110.1 | | |
| 14 | P | 82.3 | Confident | 79.2 | Confident | 113 Ų | 113 | 115.6 Ų | 115.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148 | 176.3 | 25.9 | -33.6 | 0 | 0 | 0 | 110.2 | | |
| 15 | P | 78.7 | Confident | 78.7 | Confident | 114 Ų | 114 | 115.9 Ų | 115.9 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 145.8 | 174.7 | 25.8 | -33.4 | 0 | 0 | 0 | 109.8 | | |
| 16 | P | 77.4 | Confident | 78 | Confident | 108 Ų | 108 | 116.2 Ų | 116.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 146 | 175.6 | 25.7 | -33.4 | 0 | 0 | 0 | 109.5 | L18 | P16-L18 PolarHBondContact O-N 3.38Å; P16-L18 VanDerWaalsContact O-N 3.14Å |
| 17 | P | 76.9 | Confident | 77.1 | Confident | 122 Ų | 122 | 116.5 Ų | 116.5 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 126.5 | 173.8 | 23.1 | -31.3 | 0 | 0 | 0 | 108.2 | G19 | P17-G19 PolarHBondContact O-N 3.24Š|
| 18 | L | 75.9 | Confident | 75.5 | Confident | 174 Ų | 174 | 114.2 Ų | 114.2 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | | | trans | -56.8 | 109.9 | 168.5 | -65.9 | 174.6 | 0 | 0 | 0 | 105.8 | P16 A20 | P16-L18 PolarHBondContact O-N 3.38Å; P16-L18 VanDerWaalsContact O-N 3.14Å; L18-A20 PolarHBondContact O-N 3.43Å |
| 19 | G | 64.5 | Low | 74 | Confident | 64 Ų | 64 | 113.8 Ų | 113.8 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 144.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P17 | P17-G19 PolarHBondContact O-N 3.24Š|
| 20 | A | 70.5 | Confident | 72 | Confident | 91 Ų | 91 | 114.3 Ų | 114.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 138.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L18 | L18-A20 PolarHBondContact O-N 3.43Š|
| 21 | P | 71.9 | Confident | 69.8 | Low | 115 Ų | 115 | 113.2 Ų | 113.2 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 141.2 | 176 | 23.3 | -33 | 0 | 0 | 0 | 108.3 | | |
| 22 | P | 72.8 | Confident | 67.7 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 140.6 | 179.4 | 22.9 | -33 | 0 | 0 | 0 | 108.9 | | |
| 23 | P | 74.4 | Confident | 65.5 | Low | 115 Ų | 115 | 110.1 Ų | 110.1 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53 | 142.6 | 176.3 | 23.5 | -33.1 | 0 | 0 | 0 | 108.9 | | |
| 24 | P | 75.1 | Confident | 63.7 | Low | 112 Ų | 112 | 111.4 Ų | 111.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.6 | 176.7 | 23.9 | -33.1 | 0 | 0 | 0 | 108.9 | | |
| 25 | P | 73.4 | Confident | 61.9 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 143.7 | 176.4 | 24.1 | -33.2 | 0 | 0 | 0 | 108.9 | S27 | P25-S27 PolarHBondContact O-N 3.43Å; P25-S27 VanDerWaalsContact O-N 3.09Å |
| 26 | P | 68.9 | Low | 60.1 | Low | 122 Ų | 122 | 111.6 Ų | 111.6 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 125.1 | 174.7 | 21.8 | -31.3 | 0 | 0 | 0 | 107.8 | A28 | P26-A28 PolarHBondContact O-N 3.35Š|
| 27 | S | 64.7 | Low | 58.5 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 117.2 | 171.7 | -70.5 | 0 | 0 | 0 | 0 | 106.8 | P25 | P25-S27 PolarHBondContact O-N 3.43Å; P25-S27 VanDerWaalsContact O-N 3.09Å |
| 28 | A | 52.4 | Low | 57.2 | Low | 68 Ų | 68 | 112.8 Ų | 112.8 | 56% | 0.562 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 145.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P26 | P26-A28 PolarHBondContact O-N 3.35Š|
| 29 | P | 53.4 | Low | 56.1 | Low | 103 Ų | 103 | 112.6 Ų | 112.6 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 146.3 | 164.2 | 25.6 | -33.8 | 0 | 0 | 0 | 106.9 | V31 | P29-V31 PolarHBondContact O-N 3.47Š|
| 30 | P | 45.6 | Very low | 55.5 | Low | 123 Ų | 123 | 119.4 Ų | 119.4 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | | | trans | -55.9 | 94.2 | 177 | 24.4 | -32.5 | 0 | 0 | 0 | 107.3 | S32 | P30-S32 PolarHBondContact O-N 3.47Š|
| 31 | V | 37.7 | Very low | 54.8 | Low | 103 Ų | 103 | 120 Ų | 120 | 62% | 0.624 | 73% | 0.731 | S | S | * | * | | | trans | -60 | 104.5 | 153.8 | -90.9 | 0 | 0 | 0 | 0 | 100.1 | P29 T33 | P29-V31 PolarHBondContact O-N 3.47Å; V31-T33 PolarHBondContact O-N 3.46Å; V31-T33 PolarHBondContact O-OG1 3.33Å |
| 32 | S | 40.7 | Very low | 54.5 | Low | 105 Ų | 105 | 119.2 Ų | 119.2 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | trans | -51.9 | 86.6 | 161.8 | -63.8 | 0 | 0 | 0 | 0 | 105.4 | P30 D34 | P30-S32 PolarHBondContact O-N 3.47Å; S32-D34 PolarHBondContact O-N 2.69Å |
| 33 | T | 38.1 | Very low | 54.4 | Low | 101 Ų | 101 | 118.7 Ų | 118.7 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | | | trans | -80.4 | 60.8 | 165.1 | -50.4 | 0 | 0 | 0 | 0 | 102.1 | V31 T35 | V31-T33 PolarHBondContact O-N 3.46Å; V31-T33 PolarHBondContact O-OG1 3.33Å; T33-T35 HydrophobicContact CG2-CG2 4.01Å; T33-T35 PolarHBondContact O-N 2.96Å |
| 34 | D | 41.8 | Very low | 54.5 | Low | 141 Ų | 141 | 121 Ų | 121 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | | | trans | -65.8 | 88.1 | 147.1 | -85.6 | -55.7 | 0 | 0 | 0 | 102.9 | S32 S36 | S32-D34 PolarHBondContact O-N 2.69Å; D34-S36 PolarHBondContact O-N 2.86Å |
| 35 | T | 44.4 | Very low | 55.2 | Low | 112 Ų | 112 | 117.7 Ų | 117.7 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | | | trans | -48.5 | 91.8 | 146.8 | 49.6 | 0 | 0 | 0 | 0 | 105 | T33 S37 | T33-T35 HydrophobicContact CG2-CG2 4.01Å; T33-T35 PolarHBondContact O-N 2.96Å; T35-S37 PolarHBondContact O-N 3.4Å |
| 36 | S | 40.8 | Very low | 56.2 | Low | 119 Ų | 119 | 120.8 Ų | 120.8 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | | | trans | -64.4 | 85.2 | 159.8 | 169.2 | 0 | 0 | 0 | 0 | 104.4 | D34 | D34-S36 PolarHBondContact O-N 2.86Š|
| 37 | S | 44.3 | Very low | 57.4 | Low | 70 Ų | 70 | 118 Ų | 118 | 49% | 0.49 | 68% | 0.683 | S | S | . | * | | | trans | -30 | 135.3 | 175.3 | -157.8 | 0 | 0 | 0 | 0 | 110.4 | T35 R39 | T35-S37 PolarHBondContact O-N 3.4Å; S37-R39 PolarHBondContact O-N 3.13Å; S37-R39 WeakPolarHBondContact OG-CG 2.96Å |
| 38 | L | 48.8 | Very low | 58.8 | Low | 186 Ų | 186 | 114.7 Ų | 114.7 | 97% | 0.974 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -61.8 | 42.7 | 161.4 | -104.6 | 159.6 | 0 | 0 | 0 | 111.2 | | |
| 39 | R | 52.8 | Low | 60.8 | Low | 170 Ų | 170 | 116.3 Ų | 116.3 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -122.3 | 108.6 | -179.6 | -65 | -67.7 | -71.3 | 174.8 | -7.8 | 105.1 | S37 | S37-R39 PolarHBondContact O-N 3.13Å; S37-R39 WeakPolarHBondContact OG-CG 2.96Å |
| 40 | R | 52.8 | Low | 62.8 | Low | 207 Ų | 207 | 115.3 Ų | 115.3 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | | | trans | 24.1 | 106.6 | 165 | -66.6 | -170.8 | -67.6 | -117 | 4.3 | 113.5 | D42 | R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.05Å |
| 41 | A | 54.8 | Low | 65.2 | Low | 104 Ų | 104 | 111.4 Ų | 111.4 | 86% | 0.86 | 63% | 0.627 | S | S | * | * | | | trans | -42.8 | 96.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 42 | D | 67.2 | Low | 67.9 | Low | 97 Ų | 97 | 111.5 Ų | 111.5 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | | | trans | -69.3 | 132.3 | 174 | -179.3 | 66.2 | 0 | 0 | 0 | 107 | R40 K44 G45 R46 | R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.05Å; D42-K44 PolarHBondContact O-N 2.7Å; D42-K44 WeakPolarHBondContact OD2-CB 2.97Å; D42-K44 PolarHBondContact OD2-N 2.73Å; D42-K44 VanDerWaalsContact OD2-N 3.13Å; D42-G45 WeakPolarHBondContact O-CA 3.38Å; D42-G45 PolarHBondContact O-N 3.2Å; D42-R46 PolarHBondContact O-N 2.97Å; D42-R46 VanDerWaalsContact O-N 3.14Å |
| 43 | P | 69.4 | Low | 70.5 | Confident | 102 Ų | 102 | 112 Ų | 112 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -56.3 | -24.5 | -179.3 | 19.6 | -32.5 | 0 | 0 | 0 | 113.2 | S47 | P43-S47 PolarHBondContact O-N 3.21Å |
| 44 | K | 78.2 | Confident | 73.3 | Confident | 162 Ų | 162 | 114.5 Ų | 114.5 | 70% | 0.704 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.7 | -35.4 | 172.4 | -159.2 | 107.7 | 176.2 | -172.6 | 0 | 112.5 | D42 R46 S47 A48 | D42-K44 PolarHBondContact O-N 2.7Å; D42-K44 WeakPolarHBondContact OD2-CB 2.97Å; D42-K44 PolarHBondContact OD2-N 2.73Å; D42-K44 VanDerWaalsContact OD2-N 3.13Å; K44-R46 VanDerWaalsContact C-N 3.34Å; K44-S47 PolarHBondContact O-N 3.4Å; K44-S47 PolarHBondContact O-OG 3.19Å; K44-A48 PolarHBondContact O-N 2.97Å |
| 45 | G | 88.8 | Confident | 75.9 | Confident | 44 Ų | 44 | 115.3 Ų | 115.3 | 45% | 0.454 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.8 | -37.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D42 L49 | D42-G45 WeakPolarHBondContact O-CA 3.38Å; D42-G45 PolarHBondContact O-N 3.2Å; G45-L49 WeakPolarHBondContact O-CB 3.24Å; G45-L49 PolarHBondContact O-N 3.03Å |
| 46 | R | 94.2 | Very high | 78.2 | Confident | 175 Ų | 175 | 112 Ų | 112 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.4 | -41.7 | 174.1 | -175.8 | 176.1 | 176.7 | 139.3 | -0.2 | 112.2 | D42 K44 L49 L50 | D42-R46 PolarHBondContact O-N 2.97Å; D42-R46 VanDerWaalsContact O-N 3.14Å; K44-R46 VanDerWaalsContact C-N 3.34Å; R46-L49 PolarHBondContact O-N 2.94Å; R46-L50 HydrophobicContact CG-CD1 4.18Å; R46-L50 HydrophobicContact CG-CG 4.44Å; R46-L50 WeakPolarHBondContact O-CB 3.46Å; R46-L50 VanDerWaalsContact O-CG 3.24Å; R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.07Å |
| 47 | S | 93.9 | Very high | 80.8 | Confident | 65 Ų | 65 | 112.2 Ų | 112.2 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.7 | -38.1 | 179.3 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | P43 K44 L50 A51 | P43-S47 PolarHBondContact O-N 3.21Å; K44-S47 PolarHBondContact O-N 3.4Å; K44-S47 PolarHBondContact O-OG 3.19Å; S47-L50 PolarHBondContact O-N 3.04Å; S47-A51 PolarHBondContact O-N 2.59Å |
| 48 | A | 93.7 | Very high | 83.1 | Confident | 51 Ų | 51 | 120.5 Ų | 120.5 | 42% | 0.421 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.2 | -48 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K44 L50 A51 D52 | K44-A48 PolarHBondContact O-N 2.97Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 2.89Å; A48-A51 WeakPolarHBondContact O-CB 3.32Å; A48-A51 PolarHBondContact O-N 2.73Å; A48-D52 PolarHBondContact O-N 3.46Å |
| 49 | L | 95.4 | Very high | 85.2 | Confident | 102 Ų | 102 | 119.1 Ų | 119.1 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.8 | -43.5 | 175.9 | 177.2 | 63.8 | 0 | 0 | 0 | 112.4 | G45 R46 A51 D52 I53 | G45-L49 WeakPolarHBondContact O-CB 3.24Å; G45-L49 PolarHBondContact O-N 3.03Å; R46-L49 PolarHBondContact O-N 2.94Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.06Å; L49-D52 PolarHBondContact O-N 3.18Å; L49-I53 HydrophobicContact CD1-CD1 4.13Å; L49-I53 HydrophobicContact CD1-CG1 4.38Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3.09Å |
| 50 | L | 96.3 | Very high | 87.1 | Confident | 82 Ų | 82 | 122 Ų | 122 | 43% | 0.429 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64 | -34.3 | 176.6 | -73.1 | 173.7 | 0 | 0 | 0 | 112 | R46 S47 A48 Q54 | R46-L50 HydrophobicContact CG-CD1 4.18Å; R46-L50 HydrophobicContact CG-CG 4.44Å; R46-L50 WeakPolarHBondContact O-CB 3.46Å; R46-L50 VanDerWaalsContact O-CG 3.24Å; R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.07Å; S47-L50 PolarHBondContact O-N 3.04Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 2.89Å; L50-Q54 VanDerWaalsContact O-CG 3.28Å; L50-Q54 WeakPolarHBondContact O-CG 3.29Å; L50-Q54 PolarHBondContact O-N 3.37Å; L50-Q54 PolarHBondContact O-NE2 2.94Å |
| 51 | A | 94.8 | Very high | 89.1 | Confident | 41 Ų | 41 | 121.2 Ų | 121.2 | 34% | 0.339 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.2 | -47.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S47 A48 L49 I53 Q54 Q55 | S47-A51 PolarHBondContact O-N 2.59Å; A48-A51 WeakPolarHBondContact O-CB 3.32Å; A48-A51 PolarHBondContact O-N 2.73Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.06Å; A51-I53 VanDerWaalsContact C-N 3.33Å; A51-I53 PolarHBondContact O-N 2.98Å; A51-Q54 CarbonylContact O-C 3.57Å; A51-Q54 WeakPolarHBondContact O-CA 3.49Å; A51-Q54 WeakPolarHBondContact O-CB 3.43Å; A51-Q54 PolarHBondContact O-N 3.39Å; A51-Q55 VanDerWaalsContact O-CG 3.32Å; A51-Q55 WeakPolarHBondContact O-CG 3.28Å; A51-Q55 PolarHBondContact O-N 3.14Å |
| 52 | D | 95.7 | Very high | 90.8 | Very high | 105 Ų | 105 | 120.8 Ų | 120.8 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.1 | -38.5 | 179.7 | -68.1 | -15.7 | 0 | 0 | 0 | 112.6 | A48 L49 Q54 Q55 G56 | A48-D52 PolarHBondContact O-N 3.46Å; L49-D52 PolarHBondContact O-N 3.18Å; D52-Q54 VanDerWaalsContact C-N 3.35Å; D52-Q55 PolarHBondContact O-N 3.16Å; D52-G56 PolarHBondContact O-N 3.5Å |
| 53 | I | 94.4 | Very high | 91.7 | Very high | 116 Ų | 116 | 122.6 Ų | 122.6 | 60% | 0.595 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.6 | -41.4 | 173.5 | -67.8 | 166.9 | 0 | 0 | 0 | 110.9 | L49 A51 G56 | L49-I53 HydrophobicContact CD1-CD1 4.13Å; L49-I53 HydrophobicContact CD1-CG1 4.38Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3.09Å; A51-I53 VanDerWaalsContact C-N 3.33Å; A51-I53 PolarHBondContact O-N 2.98Å; I53-G56 PolarHBondContact O-N 2.57Å |
| 54 | Q | 95.8 | Very high | 92.4 | Very high | 154 Ų | 154 | 125.4 Ų | 125.4 | 72% | 0.72 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69 | -35.3 | 177 | -76.1 | 170.1 | 73.4 | 0 | 0 | 112.7 | L50 A51 D52 G56 | L50-Q54 VanDerWaalsContact O-CG 3.28Å; L50-Q54 WeakPolarHBondContact O-CG 3.29Å; L50-Q54 PolarHBondContact O-N 3.37Å; L50-Q54 PolarHBondContact O-NE2 2.94Å; A51-Q54 CarbonylContact O-C 3.57Å; A51-Q54 WeakPolarHBondContact O-CA 3.49Å; A51-Q54 WeakPolarHBondContact O-CB 3.43Å; A51-Q54 PolarHBondContact O-N 3.39Å; D52-Q54 VanDerWaalsContact C-N 3.35Å; Q54-G56 VanDerWaalsContact C-N 3.29Å |
| 55 | Q | 96.6 | Very high | 92.5 | Very high | 158 Ų | 158 | 123.9 Ų | 123.9 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67 | -34.5 | 173.3 | -65.2 | -50.1 | -56 | 0 | 0 | 111.3 | A51 D52 | A51-Q55 VanDerWaalsContact O-CG 3.32Å; A51-Q55 WeakPolarHBondContact O-CG 3.28Å; A51-Q55 PolarHBondContact O-N 3.14Å; D52-Q55 PolarHBondContact O-N 3.16Å |
| 56 | G | 93.9 | Very high | 91.9 | Very high | 42 Ų | 42 | 127.8 Ų | 127.8 | 43% | 0.433 | 65% | 0.647 | S | S | . | * | | | trans | 72.7 | 165.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D52 I53 Q54 | D52-G56 PolarHBondContact O-N 3.5Å; I53-G56 PolarHBondContact O-N 2.57Å; Q54-G56 VanDerWaalsContact C-N 3.29Å |
| 57 | T | 94.5 | Very high | 91.3 | Very high | 123 Ų | 123 | 124 Ų | 124 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | | | trans | -140.2 | 135.1 | 177.5 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | L59 | T57-L59 PolarHBondContact O-N 2.94Š|
| 58 | R | 93.1 | Very high | 90.8 | Very high | 244 Ų | 244 | 131.6 Ų | 131.6 | 92% | 0.921 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 119.8 | 178.9 | -65 | 177.8 | 66.4 | -153.9 | 1 | 109.6 | | |
| 59 | L | 92.7 | Very high | 90.2 | Very high | 158 Ų | 158 | 133.6 Ų | 133.6 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 151 | 173.9 | -57.1 | -178.5 | 0 | 0 | 0 | 110.6 | T57 | T57-L59 PolarHBondContact O-N 2.94Š|
| 60 | R | 93.4 | Very high | 89.2 | Confident | 230 Ų | 230 | 132.1 Ų | 132.1 | 87% | 0.868 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 135.8 | 172.8 | 62.1 | -171.5 | -178.8 | -118.4 | 1.4 | 110.3 | V62 | R60-V62 PolarHBondContact O-N 2.83Š|
| 61 | K | 93.9 | Very high | 87.8 | Confident | 191 Ų | 191 | 133.3 Ų | 133.3 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | | | trans | -71.5 | 115.8 | 175.7 | -172.6 | 174.2 | -177.3 | 179.2 | 0 | 109 | T63 | K61-T63 PolarHBondContact O-N 3.36Š|
| 62 | V | 89.9 | Confident | 86.3 | Confident | 94 Ų | 94 | 139.4 Ų | 139.4 | 57% | 0.57 | 71% | 0.706 | S | S | * | * | | | trans | -76.4 | 114.7 | 170.6 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | R60 Q64 I65 | R60-V62 PolarHBondContact O-N 2.83Å; V62-Q64 VanDerWaalsContact CG1-O 3.25Å; V62-Q64 WeakPolarHBondContact CG1-O 3.1Å; V62-I65 HydrophobicContact CG1-CG2 4.25Å |
| 63 | T | 86.8 | Confident | 84.8 | Confident | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -83.2 | -24.2 | 180 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | K61 | K61-T63 PolarHBondContact O-N 3.36Š|
| 64 | Q | 83.7 | Confident | 83.2 | Confident | 160 Ų | 160 | 143.3 Ų | 143.3 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | -118.9 | 99.2 | 178.1 | -171.1 | 176.9 | 10.3 | 0 | 0 | 109.6 | V62 | V62-Q64 VanDerWaalsContact CG1-O 3.25Å; V62-Q64 WeakPolarHBondContact CG1-O 3.1Å |
| 65 | I | 81.1 | Confident | 81.1 | Confident | 130 Ų | 130 | 141.4 Ų | 141.4 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | | | trans | -87.4 | 115.2 | 164.1 | 50.2 | 169.9 | 0 | 0 | 0 | 107.4 | V62 D67 | V62-I65 HydrophobicContact CG1-CG2 4.25Å; I65-D67 PolarHBondContact O-N 3.05Å |
| 66 | N | 76.8 | Confident | 79.3 | Confident | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | | | trans | -79.1 | 71.4 | 171 | -167.4 | -19.1 | 0 | 0 | 0 | 108.3 | R68 | N66-R68 PolarHBondContact O-N 3.37Å; N66-R68 WeakPolarHBondContact OD1-CG 3.43Å |
| 67 | D | 80.3 | Confident | 77.5 | Confident | 96 Ų | 96 | 147.6 Ų | 147.6 | 51% | 0.513 | 75% | 0.753 | S | S | . | * | | | trans | -84.3 | 98.7 | 177.3 | -171.1 | -4.5 | 0 | 0 | 0 | 109.3 | I65 S69 | I65-D67 PolarHBondContact O-N 3.05Å; D67-S69 VanDerWaalsContact C-N 3.28Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.45Å; D67-S69 PolarHBondContact OD1-N 2.99Å; D67-S69 PolarHBondContact OD1-OG 3.31Å |
| 68 | R | 83.5 | Confident | 75 | Confident | 223 Ų | 223 | 145.1 Ų | 145.1 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 12.9 | 179 | -52.4 | -176.2 | 103.9 | 179.2 | 6.1 | 112.6 | N66 | N66-R68 PolarHBondContact O-N 3.37Å; N66-R68 WeakPolarHBondContact OD1-CG 3.43Å |
| 69 | S | 81.7 | Confident | 72.8 | Confident | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -12 | -178.9 | 72 | 0 | 0 | 0 | 0 | 113.8 | D67 | D67-S69 VanDerWaalsContact C-N 3.28Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.45Å; D67-S69 PolarHBondContact OD1-N 2.99Å; D67-S69 PolarHBondContact OD1-OG 3.31Å |
| 70 | A | 75 | Confident | 70.3 | Confident | 71 Ų | 71 | 140 Ų | 140 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -68.4 | 127.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q72 | A70-Q72 PolarHBondContact O-N 3.43Š|
| 71 | P | 65.9 | Low | 68.9 | Low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | | | trans | -63.9 | 122.3 | 177 | 24.9 | -31.8 | 0 | 0 | 0 | 109.6 | I73 | P71-I73 VanDerWaalsContact C-N 3.31Å; P71-I73 HydrophobicContact CB-CG1 4.36Å; P71-I73 PolarHBondContact O-N 2.92Å |
| 72 | Q | 64.5 | Low | 66.7 | Low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -74 | 86.9 | 175 | -173.3 | 173.3 | -38.1 | 0 | 0 | 108.6 | A70 E74 | A70-Q72 PolarHBondContact O-N 3.43Å; Q72-E74 HydrophobicContact CG-CG 4.37Å; Q72-E74 PolarHBondContact O-N 2.95Å |
| 73 | I | 64.3 | Low | 64.2 | Low | 145 Ų | 145 | 137.1 Ų | 137.1 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | -88.8 | 99.2 | 171.3 | -41.1 | 171.9 | 0 | 0 | 0 | 106.4 | P71 S75 | P71-I73 VanDerWaalsContact C-N 3.31Å; P71-I73 HydrophobicContact CB-CG1 4.36Å; P71-I73 PolarHBondContact O-N 2.92Å; I73-S75 PolarHBondContact O-N 3.18Å |
| 74 | E | 59.6 | Low | 62 | Low | 158 Ų | 158 | 134.7 Ų | 134.7 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -62.9 | 103.5 | 174.7 | -58.5 | 173.1 | -170.8 | 0 | 0 | 108.7 | Q72 S76 | Q72-E74 HydrophobicContact CG-CG 4.37Å; Q72-E74 PolarHBondContact O-N 2.95Å; E74-S76 PolarHBondContact O-N 3.39Å |
| 75 | S | 52.4 | Low | 59.6 | Low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -84.2 | 95.3 | 173.8 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | I73 K77 | I73-S75 PolarHBondContact O-N 3.18Å; S75-K77 PolarHBondContact O-N 3.36Å |
| 76 | S | 59.3 | Low | 58.3 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -70.9 | 90.4 | 169.2 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | E74 | E74-S76 PolarHBondContact O-N 3.39Š|
| 77 | K | 55.8 | Low | 56.5 | Low | 210 Ų | 210 | 129.1 Ų | 129.1 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | | | trans | -166.1 | 124.2 | 157.4 | -158.9 | 153.1 | -178.3 | 175.4 | 0 | 113.6 | S75 | S75-K77 PolarHBondContact O-N 3.36Š|
| 78 | G | 41.7 | Very low | 54.9 | Low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | 125 | 92.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N80 | G78-N80 PolarHBondContact O-N 3.49Š|
| 79 | T | 47.3 | Very low | 53.1 | Low | 149 Ų | 149 | 127.9 Ų | 127.9 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | | | trans | -54.9 | 124.7 | 160.9 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 80 | N | 39.8 | Very low | 51.6 | Low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | | | trans | -134.6 | 110 | 156.3 | -165.9 | -43.8 | 0 | 0 | 0 | 108.3 | G78 | G78-N80 PolarHBondContact O-N 3.49Š|
| 81 | K | 64.6 | Low | 49.7 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | | | trans | -99.3 | 113.1 | 164.9 | -78.6 | -160.2 | 175.2 | -169.1 | 0 | 107 | | |
| 82 | E | 46.2 | Very low | 48.8 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -170.4 | 103.3 | 153 | -159.8 | 85.1 | -135.1 | 0 | 0 | 103.4 | | |
| 83 | G | 38.6 | Very low | 48.1 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | | 65.5 | 112.1 | 91.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 84 | G | 39.3 | Very low | 47.2 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | | | cis | -177.9 | 162.8 | 7.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 85 | G | 34.7 | Very low | 46.7 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -164.6 | 88.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 86 | S | 53.2 | Low | 46.7 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | | | trans | -60.7 | 129.3 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 87 | A | 39.4 | Very low | 46.3 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | | | trans | -159.2 | 96.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T89 | A87-T89 PolarHBondContact O-N 3.03Š|
| 88 | N | 45.5 | Very low | 46.3 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | | | trans | -69.6 | 111.8 | 156 | -100.3 | 11.5 | 0 | 0 | 0 | 108.4 | | |
| 89 | T | 47.2 | Very low | 47.1 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | -152.4 | 121.6 | 146.3 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | A87 | A87-T89 PolarHBondContact O-N 3.03Š|
| 90 | R | 50 | Low | 47.7 | Very low | 248 Ų | 248 | 127.7 Ų | 127.7 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | | | trans | -72.3 | 141.9 | 177.1 | -54.2 | 170.7 | -160.8 | 156.8 | 4.5 | 109.6 | | |
| 91 | G | 35 | Very low | 49.1 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 155.4 | 76.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 92 | A | 46.6 | Very low | 49 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 18.7 | 117 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 93 | S | 50.1 | Low | 49.9 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | | 168.6 | 81.7 | 108.4 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 94 | T | 45.2 | Very low | 51.1 | Low | 127 Ų | 127 | 119.6 Ų | 119.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -121.4 | 137.1 | 158.9 | 52.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 95 | P | 47.7 | Very low | 53 | Low | 103 Ų | 103 | 118 Ų | 118 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | -58.4 | 154.8 | -177.4 | 26.1 | -34.5 | 0 | 0 | 0 | 110.7 | T97 | P95-T97 VanDerWaalsContact C-N 3.26Å; P95-T97 PolarHBondContact O-N 3.5Å |
| 96 | P | 52.7 | Low | 54.6 | Low | 137 Ų | 137 | 121.5 Ų | 121.5 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | | | trans | -66.8 | 90 | -179.8 | 28.8 | -33.2 | 0 | 0 | 0 | 108.7 | L98 | P96-L98 PolarHBondContact O-N 3.5Š|
| 97 | T | 50.9 | Low | 55.3 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | | | trans | -62.2 | 127.4 | 167.4 | 17.6 | 0 | 0 | 0 | 0 | 107.2 | P95 G99 | P95-T97 VanDerWaalsContact C-N 3.26Å; P95-T97 PolarHBondContact O-N 3.5Å; T97-G99 PolarHBondContact O-N 2.98Å |
| 98 | L | 57.3 | Low | 57.2 | Low | 181 Ų | 181 | 122.2 Ų | 122.2 | 95% | 0.948 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 44.7 | 171.2 | -169.9 | 111.3 | 0 | 0 | 0 | 113.1 | P96 | P96-L98 PolarHBondContact O-N 3.5Š|
| 99 | G | 58 | Low | 58.3 | Low | 54 Ų | 54 | 122.2 Ų | 122.2 | 56% | 0.557 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -4.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T97 L101 | T97-G99 PolarHBondContact O-N 2.98Å; G99-L101 VanDerWaalsContact C-N 3.33Å |
| 100 | D | 60.6 | Low | 59.6 | Low | 137 Ų | 137 | 126.6 Ų | 126.6 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -84.7 | -7.2 | -177 | -138.7 | 23.1 | 0 | 0 | 0 | 113.5 | F102 A103 | D100-F102 PolarHBondContact O-N 3.14Å; D100-A103 WeakPolarHBondContact O-CB 3.17Å; D100-A103 PolarHBondContact O-N 3.31Å; D100-A103 VanDerWaalsContact OD1-CB 3.22Å; D100-A103 WeakPolarHBondContact OD1-CB 3.3Å |
| 101 | L | 67.4 | Low | 60.5 | Low | 149 Ų | 149 | 121 Ų | 121 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -67 | -19.1 | -179.2 | -172.5 | 59 | 0 | 0 | 0 | 113.5 | G99 | G99-L101 VanDerWaalsContact C-N 3.33Š|
| 102 | F | 64.4 | Low | 61.5 | Low | 124 Ų | 124 | 122.8 Ų | 122.8 | 54% | 0.544 | 76% | 0.758 | S | S | . | * | G | 310 helix | trans | -113.8 | 3.2 | 177.9 | -61.5 | -77.9 | 0 | 0 | 0 | 113.1 | D100 G104 G105 F106 | D100-F102 PolarHBondContact O-N 3.14Å; F102-G104 PolarHBondContact O-N 3.4Å; F102-G105 PolarHBondContact O-N 2.91Å; F102-F106 AromaticContact CD1-CD2 3.57Å; F102-F106 HydrophobicContact CD1-CD2 3.57Å; F102-F106 AromaticContact CD1-CE2 3.7Å; F102-F106 HydrophobicContact CD1-CE2 3.7Å; F102-F106 AromaticContact CE1-CD2 3.69Å; F102-F106 HydrophobicContact CE1-CD2 3.69Å; F102-F106 AromaticContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CZ 4.08Å; F102-F106 HydrophobicContact CZ-CE2 4.18Å |
| 103 | A | 64.3 | Low | 62.2 | Low | 74 Ų | 74 | 121.4 Ų | 121.4 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -19.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D100 | D100-A103 WeakPolarHBondContact O-CB 3.17Å; D100-A103 PolarHBondContact O-N 3.31Å; D100-A103 VanDerWaalsContact OD1-CB 3.22Å; D100-A103 WeakPolarHBondContact OD1-CB 3.3Å |
| 104 | G | 64.5 | Low | 62 | Low | 83 Ų | 83 | 123.4 Ų | 123.4 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 4.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.6 | F102 | F102-G104 PolarHBondContact O-N 3.4Š|
| 105 | G | 77.6 | Confident | 62.3 | Low | 50 Ų | 50 | 129 Ų | 129 | 52% | 0.515 | 76% | 0.756 | S | S | . | * | | | trans | 84 | 149.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F102 | F102-G105 PolarHBondContact O-N 2.91Š|
| 106 | F | 69.6 | Low | 62.3 | Low | 155 Ų | 155 | 130.2 Ų | 130.2 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | | | trans | -67.6 | 131.4 | 176.4 | -135.4 | -93.1 | 0 | 0 | 0 | 109 | F102 V108 | F102-F106 AromaticContact CD1-CD2 3.57Å; F102-F106 HydrophobicContact CD1-CD2 3.57Å; F102-F106 AromaticContact CD1-CE2 3.7Å; F102-F106 HydrophobicContact CD1-CE2 3.7Å; F102-F106 AromaticContact CE1-CD2 3.69Å; F102-F106 HydrophobicContact CE1-CD2 3.69Å; F102-F106 AromaticContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CE2 3.32Å; F102-F106 HydrophobicContact CE1-CZ 4.08Å; F102-F106 HydrophobicContact CZ-CE2 4.18Å; F106-V108 PolarHBondContact O-N 3.12Å |
| 107 | P | 67 | Low | 62.3 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | trans | -61.2 | 115.3 | 178.9 | 23.5 | -31.8 | 0 | 0 | 0 | 109.5 | L109 | P107-L109 PolarHBondContact O-N 3.15Š|
| 108 | V | 78.8 | Confident | 61.9 | Low | 134 Ų | 134 | 129.8 Ų | 129.8 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | -70.4 | 111.7 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | F106 R110 | F106-V108 PolarHBondContact O-N 3.12Å; V108-R110 PolarHBondContact O-N 3.47Å |
| 109 | L | 70.6 | Confident | 61.3 | Low | 157 Ų | 157 | 125.1 Ų | 125.1 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 126.8 | 171.3 | -66 | 176.4 | 0 | 0 | 0 | 108.8 | P107 | P107-L109 PolarHBondContact O-N 3.15Š|
| 110 | R | 74.4 | Confident | 60.6 | Low | 228 Ų | 228 | 126 Ų | 126 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.7 | 175.8 | -43.9 | -166.8 | -61.7 | -170.1 | 2.6 | 108.7 | V108 A112 | V108-R110 PolarHBondContact O-N 3.47Å; R110-A112 PolarHBondContact O-N 3.4Å; R110-A112 VanDerWaalsContact O-N 3.13Å |
| 111 | P | 68.8 | Low | 60 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 120.4 | 176.1 | -26.2 | 34.6 | 0 | 0 | 0 | 111.3 | G113 | P111-G113 PolarHBondContact O-N 2.88Š|
| 112 | A | 54.6 | Low | 58.9 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -80.8 | 101.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | R110 | R110-A112 PolarHBondContact O-N 3.4Å; R110-A112 VanDerWaalsContact O-N 3.13Å |
| 113 | G | 61.2 | Low | 57.7 | Low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | 175.2 | 13.2 | 180 | 0 | 0 | 0 | 0 | 0 | 119.4 | P111 | P111-G113 PolarHBondContact O-N 2.88Š|
| 114 | Q | 46.3 | Very low | 56.6 | Low | 164 Ų | 164 | 132.5 Ų | 132.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -146.4 | 97.4 | 173.1 | -152 | 165 | -62 | 0 | 0 | 111.3 | D116 | Q114-D116 PolarHBondContact NE2-OD2 2.78Å; Q114-D116 PolarHBondContact O-N 3.44Å |
| 115 | R | 51.7 | Low | 55.4 | Low | 246 Ų | 246 | 131.6 Ų | 131.6 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | | | trans | -83.2 | 100.9 | 162.7 | -92.9 | -165.2 | -73.5 | 153.5 | -4.7 | 106.7 | | |
| 116 | D | 47.9 | Very low | 53.9 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | | | trans | -91 | 128.3 | 158.3 | -73.9 | -55.2 | 0 | 0 | 0 | 108.8 | Q114 A118 | Q114-D116 PolarHBondContact NE2-OD2 2.78Å; Q114-D116 PolarHBondContact O-N 3.44Å; D116-A118 PolarHBondContact O-N 3.47Å |
| 117 | V | 52.8 | Low | 52.4 | Low | 150 Ų | 150 | 132.1 Ų | 132.1 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | | | trans | -68.2 | 112.7 | 177.2 | 163.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 118 | A | 42.7 | Very low | 51.2 | Low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | | | trans | 179.1 | 120.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D116 | D116-A118 PolarHBondContact O-N 3.47Š|
| 119 | G | 44 | Very low | 49.4 | Very low | 83 Ų | 83 | 138.8 Ų | 138.8 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | | | trans | 67.3 | 108.2 | 133.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 120 | G | 44.7 | Very low | 47.8 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | | 99.1 | 105.3 | 119.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 121 | K | 47.8 | Very low | 46.4 | Very low | 193 Ų | 193 | 130.5 Ų | 130.5 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | | | | 72.5 | 132.4 | 129.3 | 82.7 | -170.7 | 171 | -171.9 | 0 | 122.7 | | |
| 122 | T | 42.6 | Very low | 45.1 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | 74.1 | 125.7 | 154.3 | 60.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 123 | G | 40.3 | Very low | 44.4 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 155.4 | 88.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 124 | Q | 42 | Very low | 43.7 | Very low | 206 Ų | 206 | 137.7 Ų | 137.7 | 96% | 0.963 | 82% | 0.823 | S | S | * | * | | | trans | -55.2 | 141.3 | 173.1 | -79.6 | -165.7 | -18.4 | 0 | 0 | 112.8 | | |
| 125 | G | 39.2 | Very low | 43.8 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | | | trans | -149 | 135.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 126 | P | 44.6 | Very low | 43.4 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | | | trans | -70.5 | 132.5 | -167.4 | 29 | -33 | 0 | 0 | 0 | 111.1 | | |
| 127 | G | 39.8 | Very low | 42.6 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | -73.8 | 149.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 128 | S | 39.8 | Very low | 42.1 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -146 | 111.2 | 134 | -156.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 129 | R | 42.7 | Very low | 41.8 | Very low | 245 Ų | 245 | 134.8 Ų | 134.8 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -100.2 | 112.4 | -176.5 | -171.9 | -173.7 | -169.4 | -166.2 | 5.1 | 106.4 | | |
| 130 | A | 36.7 | Very low | 41.9 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 137.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 131 | P | 43.9 | Very low | 41.6 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 128.5 | -171.8 | 30.3 | -32 | 0 | 0 | 0 | 110.7 | | |
| 132 | S | 41.3 | Very low | 41.1 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130.4 | 166.5 | -53.3 | 0 | 0 | 0 | 0 | 109.6 | R134 | S132-R134 PolarHBondContact O-N 3.37Å; S132-R134 VanDerWaalsContact O-N 3.16Å |
| 133 | P | 39.9 | Very low | 41.1 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | trans | -70.4 | 113.1 | 173.8 | 26.7 | -29.1 | 0 | 0 | 0 | 108.7 | L135 | P133-L135 PolarHBondContact O-N 2.75Š|
| 134 | R | 46.5 | Very low | 41.1 | Very low | 246 Ų | 246 | 138.9 Ų | 138.9 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 122.9 | 167.9 | -66.3 | -179.2 | -167.1 | -121.5 | 2.8 | 107.7 | S132 | S132-R134 PolarHBondContact O-N 3.37Å; S132-R134 VanDerWaalsContact O-N 3.16Å |
| 135 | L | 49.6 | Very low | 41.1 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 145.5 | 166.2 | -71.2 | 174.3 | 0 | 0 | 0 | 109.9 | P133 | P133-L135 PolarHBondContact O-N 2.75Š|
| 136 | P | 42.2 | Very low | 41.6 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 131 | -170.7 | 26.4 | -32.9 | 0 | 0 | 0 | 112.3 | | |
| 137 | N | 32.1 | Very low | 41.4 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 120.3 | 173 | -166.9 | 15.2 | 0 | 0 | 0 | 109.4 | | |
| 138 | K | 41.7 | Very low | 41.2 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -116.9 | 100 | 162 | -77.5 | 177.3 | 69.8 | 170.1 | 0 | 108.1 | | |
| 139 | T | 37.6 | Very low | 41.1 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | | | trans | -50.7 | 125.2 | 165.8 | -52.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 140 | I | 44.1 | Very low | 41.4 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -139.8 | 123.8 | 151.2 | -105.9 | 155.3 | 0 | 0 | 0 | 107.9 | | |
| 141 | S | 38.7 | Very low | 41.6 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -77.1 | 147 | -170.3 | -41.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 142 | G | 37.6 | Very low | 41.5 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 169.8 | 127.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 143 | P | 42.3 | Very low | 41.2 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -83.4 | 149.5 | -171.2 | -0.5 | 19.2 | 0 | 0 | 0 | 114.3 | | |
| 144 | L | 40 | Very low | 41 | Very low | 177 Ų | 177 | 141 Ų | 141 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | | | trans | -72.6 | 127.5 | 173.7 | -69 | 160.2 | 0 | 0 | 0 | 111.3 | | |
| 145 | I | 43.4 | Very low | 40.4 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -114.7 | 123.6 | 167.2 | -58.6 | 177.9 | 0 | 0 | 0 | 108.4 | | |
| 146 | P | 48.8 | Very low | 39.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 131.1 | 167.5 | 33.4 | -27.7 | 0 | 0 | 0 | 110.3 | | |
| 147 | P | 41.5 | Very low | 39.2 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 141.4 | 168.6 | 28.1 | -28.4 | 0 | 0 | 0 | 112.8 | | |
| 148 | A | 33.9 | Very low | 39.1 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 157.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 149 | S | 38.9 | Very low | 39.1 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65 | 148.5 | 156.6 | -50 | 0 | 0 | 0 | 0 | 111.5 | | |
| 150 | P | 48.6 | Very low | 38.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -107.9 | 124.1 | 154.9 | 30.9 | -19.2 | 0 | 0 | 0 | 110.7 | | |
| 151 | R | 41.2 | Very low | 38.4 | Very low | 218 Ų | 218 | 128.6 Ų | 128.6 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | | | trans | -96.1 | 136.7 | 167.3 | -125.2 | -168.9 | -174.8 | -107.2 | 0.7 | 109 | | |
| 152 | L | 41.9 | Very low | 38.4 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 62.5 | 123.7 | 152.3 | -52.2 | -174.2 | 0 | 0 | 0 | 120.6 | | |
| 153 | G | 34.1 | Very low | 38.4 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -163.7 | 124.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 154 | N | 37.6 | Very low | 38.2 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | | | trans | -107.8 | 165.9 | -177.3 | 50 | 7.5 | 0 | 0 | 0 | 110.7 | | |
| 155 | T | 33.3 | Very low | 38.4 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | | | trans | 106.2 | 116.1 | 162.9 | 71.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 156 | S | 34.5 | Very low | 38.6 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | 28.8 | 137.2 | 140 | -121 | 0 | 0 | 0 | 0 | 125.5 | | |
| 157 | E | 31.2 | Very low | 38.6 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | | 85 | 135.5 | 127 | -147.5 | 172.4 | 119.3 | 0 | 0 | 123.2 | | |
| 158 | A | 31.5 | Very low | 39.1 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | | | trans | 77.9 | 117 | 154.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 159 | H | 40 | Very low | 40 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 91% | 0.912 | 81% | 0.807 | S | S | * | * | | | trans | 9.6 | 138.9 | 144.5 | -58.7 | -87.8 | 0 | 0 | 0 | 121.4 | | |
| 160 | G | 32.9 | Very low | 40.9 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | 136.6 | 105.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 161 | A | 35.1 | Very low | 41.6 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 57.4 | 114.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 162 | A | 37.5 | Very low | 43 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | 72.5 | 113.2 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 163 | R | 37.8 | Very low | 44.4 | Very low | 239 Ų | 239 | 129.5 Ų | 129.5 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | | -167.2 | 112.2 | 117.6 | -103 | 170.1 | 137.6 | -124.6 | -12.3 | 114 | | |
| 164 | T | 38.2 | Very low | 46.2 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | 43.8 | 95.4 | 140 | -42 | 0 | 0 | 0 | 0 | 120.3 | | |
| 165 | A | 44.6 | Very low | 48.1 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | | | trans | -110.7 | 147.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 166 | P | 47.6 | Very low | 50.3 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 144.9 | -178.3 | 26.6 | -33.2 | 0 | 0 | 0 | 111.5 | R168 | P166-R168 PolarHBondContact O-N 3.05Š|
| 167 | P | 48.6 | Very low | 52.3 | Low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 126.6 | -174.5 | 28.5 | -32.8 | 0 | 0 | 0 | 110.6 | | |
| 168 | R | 52.3 | Low | 54.6 | Low | 232 Ų | 232 | 127.5 Ų | 127.5 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 139.5 | 162.7 | -72.2 | -178.5 | 174.3 | -172.1 | -2.1 | 108.5 | P166 N170 | P166-R168 PolarHBondContact O-N 3.05Å; R168-N170 PolarHBondContact O-N 3.47Å; R168-N170 VanDerWaalsContact O-N 3.09Å |
| 169 | P | 53.3 | Low | 57 | Low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.8 | 170 | 22.9 | -29 | 0 | 0 | 0 | 109 | V171 | P169-V171 PolarHBondContact O-N 2.97Š|
| 170 | N | 58.1 | Low | 58.9 | Low | 154 Ų | 154 | 125.2 Ų | 125.2 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -79.1 | 100.7 | 175.7 | -170.9 | 12.2 | 0 | 0 | 0 | 107.9 | R168 | R168-N170 PolarHBondContact O-N 3.47Å; R168-N170 VanDerWaalsContact O-N 3.09Å |
| 171 | V | 62 | Low | 61.3 | Low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 118.3 | 171.7 | -169.9 | 0 | 0 | 0 | 0 | 107.1 | P169 A173 | P169-V171 PolarHBondContact O-N 2.97Å; V171-A173 PolarHBondContact O-N 3.46Å |
| 172 | P | 70.2 | Confident | 63.6 | Low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 136.6 | 174.8 | -21.4 | 32.3 | 0 | 0 | 0 | 110.4 | | |
| 173 | A | 72.3 | Confident | 65.7 | Low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | V171 | V171-A173 PolarHBondContact O-N 3.46Š|
| 174 | P | 72.4 | Confident | 67.8 | Low | 115 Ų | 115 | 122.7 Ų | 122.7 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 145.2 | 175.5 | 25.9 | -33 | 0 | 0 | 0 | 110.1 | | |
| 175 | P | 76.7 | Confident | 69.9 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 151.8 | 177.6 | 27.2 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 176 | P | 79.1 | Confident | 71.5 | Confident | 113 Ų | 113 | 125.9 Ų | 125.9 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 146.4 | 176.1 | 26.5 | -33.9 | 0 | 0 | 0 | 110.6 | T178 | P176-T178 PolarHBondContact O-N 3.26Š|
| 177 | P | 77.1 | Confident | 73 | Confident | 128 Ų | 128 | 125.5 Ų | 125.5 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.9 | 177.1 | 25.3 | -32.8 | 0 | 0 | 0 | 110.4 | | |
| 178 | T | 79.7 | Confident | 74.4 | Confident | 130 Ų | 130 | 125 Ų | 125 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67 | 140.8 | 174.6 | 41.2 | 0 | 0 | 0 | 0 | 110.5 | P176 | P176-T178 PolarHBondContact O-N 3.26Š|
| 179 | P | 81.6 | Confident | 75.2 | Confident | 114 Ų | 114 | 120 Ų | 120 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65 | 147 | 175.1 | 27.2 | -33.2 | 0 | 0 | 0 | 110.5 | | |
| 180 | P | 80.3 | Confident | 75.6 | Confident | 115 Ų | 115 | 122.1 Ų | 122.1 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63 | 151.5 | 177.4 | 27.2 | -34.2 | 0 | 0 | 0 | 111.2 | | |
| 181 | P | 82.3 | Confident | 75.7 | Confident | 115 Ų | 115 | 120.6 Ų | 120.6 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.5 | 176 | 27 | -34 | 0 | 0 | 0 | 110.9 | | |
| 182 | P | 83.7 | Confident | 74.8 | Confident | 117 Ų | 117 | 120.3 Ų | 120.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 148.1 | 176.5 | 26.7 | -33.7 | 0 | 0 | 0 | 110.8 | | |
| 183 | P | 81.1 | Confident | 73.5 | Confident | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 150.1 | 177 | 27 | -33.9 | 0 | 0 | 0 | 110.9 | | |
| 184 | P | 82.4 | Confident | 72.2 | Confident | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 149.1 | 176.1 | 26.5 | -33.9 | 0 | 0 | 0 | 111 | L186 | P184-L186 PolarHBondContact O-N 3.37Š|
| 185 | P | 83 | Confident | 70.9 | Confident | 128 Ų | 128 | 121.6 Ų | 121.6 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 137.2 | 178.3 | 24.8 | -32.5 | 0 | 0 | 0 | 110.7 | | |
| 186 | L | 78.6 | Confident | 69.1 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 141.7 | 176.7 | -68.5 | 170.8 | 0 | 0 | 0 | 110.3 | P184 | P184-L186 PolarHBondContact O-N 3.37Š|
| 187 | P | 77.9 | Confident | 67.4 | Low | 109 Ų | 109 | 127.8 Ų | 127.8 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 148 | 174.1 | 26.8 | -32.9 | 0 | 0 | 0 | 110.7 | | |
| 188 | P | 79 | Confident | 65.6 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.2 | 178.1 | 25.9 | -33.3 | 0 | 0 | 0 | 111 | L190 | P188-L190 PolarHBondContact O-N 2.81Š|
| 189 | P | 68.9 | Low | 63.8 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 133.6 | 177.6 | 26.6 | -32.4 | 0 | 0 | 0 | 110.4 | | |
| 190 | L | 61.7 | Low | 61.7 | Low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 141.9 | 172.8 | -70 | 167.6 | 0 | 0 | 0 | 110 | P188 S192 | P188-L190 PolarHBondContact O-N 2.81Å; L190-S192 PolarHBondContact O-N 2.75Å |
| 191 | P | 60.2 | Low | 59.9 | Low | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131.5 | -179.7 | 25 | -31.9 | 0 | 0 | 0 | 111.2 | S193 | P191-S193 PolarHBondContact O-N 3.31Š|
| 192 | S | 43.1 | Very low | 57.7 | Low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 122 | 174 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | L190 S194 | L190-S192 PolarHBondContact O-N 2.75Å; S192-S194 PolarHBondContact O-N 2.99Å |
| 193 | S | 42.3 | Very low | 55.8 | Low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 117.2 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | P191 | P191-S193 PolarHBondContact O-N 3.31Š|
| 194 | S | 45.5 | Very low | 53.9 | Low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 141.3 | 171 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | S192 I196 | S192-S194 PolarHBondContact O-N 2.99Å; S194-I196 PolarHBondContact O-N 3.2Å |
| 195 | P | 45.1 | Very low | 51.7 | Low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -72.5 | 113.7 | 172.4 | 28.4 | -31.2 | 0 | 0 | 0 | 110.2 | K197 | P195-K197 PolarHBondContact O-N 3.49Š|
| 196 | I | 39.1 | Very low | 49.6 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -68.2 | 122.5 | 170 | -68.1 | 170.9 | 0 | 0 | 0 | 108.6 | S194 T198 | S194-I196 PolarHBondContact O-N 3.2Å; I196-T198 HydrophobicContact CG2-CG2 4.22Å |
| 197 | K | 43.5 | Very low | 47.8 | Very low | 205 Ų | 205 | 129.3 Ų | 129.3 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | | | trans | -77.2 | 124.7 | 165.5 | -75.9 | 178 | 174.8 | 176.1 | 0 | 109.1 | P195 | P195-K197 PolarHBondContact O-N 3.49Š|
| 198 | T | 39 | Very low | 45.7 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | | | trans | -116.1 | 133.4 | 161.6 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | I196 | I196-T198 HydrophobicContact CG2-CG2 4.22Š|
| 199 | P | 42.4 | Very low | 43.9 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -94.1 | 109.1 | 171.5 | 32.6 | -23.4 | 0 | 0 | 0 | 108.9 | | |
| 200 | L | 37.5 | Very low | 42.3 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -94.2 | 113.5 | 169.8 | -165.9 | 77.4 | 0 | 0 | 0 | 109.2 | | |
| 201 | V | 41.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | | | trans | -61.1 | 139.6 | 172.5 | 166.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 202 | S | 36.9 | Very low | 40.1 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | | | trans | -138.4 | 145.5 | 162 | -71.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 203 | P | 42.6 | Very low | 40.2 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 166.8 | -162.2 | 34.3 | -35.9 | 0 | 0 | 0 | 114.1 | | |
| 204 | P | 40.8 | Very low | 40 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 135 | -159.4 | 33.7 | -32 | 0 | 0 | 0 | 113.8 | | |
| 205 | G | 36.2 | Very low | 40.2 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 155.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 206 | P | 39.8 | Very low | 40.3 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 148.8 | -163.8 | 28.9 | -33.8 | 0 | 0 | 0 | 114.7 | | |
| 207 | L | 39.8 | Very low | 41.3 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 127.1 | -174.9 | -59 | 164.3 | 0 | 0 | 0 | 112.6 | | |
| 208 | T | 35.2 | Very low | 41.7 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | | | trans | -126.4 | 135.2 | 149.9 | -49.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 209 | K | 39.7 | Very low | 42.6 | Very low | 211 Ų | 211 | 130 Ų | 130 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | -78.5 | 127.9 | -161.6 | -167.9 | -179.7 | -171.5 | 178.7 | 0 | 111 | | |
| 210 | G | 35.7 | Very low | 43.3 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | 152.6 | 95.9 | 158 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 211 | N | 37.1 | Very low | 44.2 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | 69.5 | 123.4 | 153.3 | -97.7 | -73.4 | 0 | 0 | 0 | 121.2 | | |
| 212 | L | 39 | Very low | 45.4 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -131.7 | 164.7 | 157.9 | -75.3 | 178.6 | 0 | 0 | 0 | 107 | | |
| 213 | P | 44.7 | Very low | 47 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | | | cis | -136.1 | 146.3 | -14.8 | 32.8 | -14.5 | 0 | 0 | 0 | 112.9 | | |
| 214 | V | 38.8 | Very low | 48.5 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | -142.6 | 98.8 | 151.9 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | A216 | V214-A216 PolarHBondContact O-N 3.42Š|
| 215 | V | 49 | Very low | 50.2 | Low | 137 Ų | 137 | 125.1 Ų | 125.1 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117.9 | 162 | 171.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 216 | A | 48.3 | Very low | 52.3 | Low | 76 Ų | 76 | 127.4 Ų | 127.4 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 138.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V214 | V214-A216 PolarHBondContact O-N 3.42Š|
| 217 | P | 59.5 | Low | 54.2 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 150.3 | 175.7 | 28.6 | -33 | 0 | 0 | 0 | 110.2 | V219 | P217-V219 PolarHBondContact O-N 3.4Š|
| 218 | P | 52.7 | Low | 56.1 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.9 | 172.1 | 27.5 | -31.4 | 0 | 0 | 0 | 108.8 | | |
| 219 | V | 57.4 | Low | 58.2 | Low | 135 Ų | 135 | 122.3 Ų | 122.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.3 | 176.1 | -143.8 | 0 | 0 | 0 | 0 | 108.5 | P217 C221 | P217-V219 PolarHBondContact O-N 3.4Å; V219-C221 PolarHBondContact O-N 3.08Å |
| 220 | P | 57.9 | Low | 60 | Low | 118 Ų | 118 | 117.7 Ų | 117.7 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 122.8 | 171.1 | -18.2 | 30.2 | 0 | 0 | 0 | 108.6 | A222 | P220-A222 PolarHBondContact O-N 3.01Å; P220-A222 VanDerWaalsContact O-N 3.16Å |
| 221 | C | 55.8 | Low | 61.7 | Low | 127 Ų | 127 | 119.9 Ų | 119.9 | 86% | 0.858 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 121.1 | 171.8 | -157.9 | 0 | 0 | 0 | 0 | 108.3 | V219 | V219-C221 PolarHBondContact O-N 3.08Š|
| 222 | A | 65.4 | Low | 63.2 | Low | 84 Ų | 84 | 118 Ų | 118 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 135.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P220 | P220-A222 PolarHBondContact O-N 3.01Å; P220-A222 VanDerWaalsContact O-N 3.16Å |
| 223 | P | 71.6 | Confident | 64.5 | Low | 114 Ų | 114 | 116.6 Ų | 116.6 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147.1 | 176 | 26.3 | -33.3 | 0 | 0 | 0 | 110 | | |
| 224 | P | 74.7 | Confident | 65.3 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147.5 | 177.3 | 25.6 | -33.9 | 0 | 0 | 0 | 110.6 | | |
| 225 | P | 76.4 | Confident | 66.6 | Low | 117 Ų | 117 | 115.8 Ų | 115.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 147.4 | 178.1 | 25.9 | -33.8 | 0 | 0 | 0 | 110.7 | | |
| 226 | P | 79.1 | Confident | 67 | Low | 114 Ų | 114 | 115.3 Ų | 115.3 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 150.3 | 178.4 | 26.6 | -34.1 | 0 | 0 | 0 | 111 | | |
| 227 | P | 80.4 | Confident | 67.3 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 148.9 | 176.2 | 26.3 | -34 | 0 | 0 | 0 | 110.9 | | |
| 228 | P | 78.8 | Confident | 66.9 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 149.6 | 176.9 | 26.3 | -33.8 | 0 | 0 | 0 | 110.9 | | |
| 229 | P | 79.4 | Confident | 66.5 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.7 | 178.5 | 26.2 | -33.8 | 0 | 0 | 0 | 110.9 | | |
| 230 | P | 77.6 | Confident | 65.5 | Low | 115 Ų | 115 | 117.9 Ų | 117.9 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 149.2 | 175.1 | 27 | -33.8 | 0 | 0 | 0 | 110.6 | | |
| 231 | P | 71.8 | Confident | 64.5 | Low | 115 Ų | 115 | 118 Ų | 118 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 150.8 | 175.7 | 26.2 | -33.9 | 0 | 0 | 0 | 110.9 | T233 | P231-T233 PolarHBondContact O-N 2.84Š|
| 232 | P | 69.4 | Low | 63.6 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.5 | 178.9 | 25 | -33 | 0 | 0 | 0 | 110.4 | | |
| 233 | T | 66.9 | Low | 62.1 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 129.6 | 172.7 | 4 | 0 | 0 | 0 | 0 | 109.5 | P231 | P231-T233 PolarHBondContact O-N 2.84Š|
| 234 | P | 61.3 | Low | 60.4 | Low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140.7 | 173.4 | 25.2 | -31.8 | 0 | 0 | 0 | 110.1 | | |
| 235 | S | 65.4 | Low | 58.6 | Low | 110 Ų | 110 | 121.8 Ų | 121.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 143.1 | -179.8 | -54 | 0 | 0 | 0 | 0 | 111.8 | L237 | S235-L237 PolarHBondContact O-N 3.42Š|
| 236 | P | 56.2 | Low | 56.7 | Low | 128 Ų | 128 | 124.3 Ų | 124.3 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129.9 | 174.6 | -7.7 | 21.7 | 0 | 0 | 0 | 109.7 | | |
| 237 | L | 55.6 | Low | 55 | Low | 161 Ų | 161 | 123.7 Ų | 123.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 144.6 | 167.6 | -69.1 | 167.9 | 0 | 0 | 0 | 109.6 | S235 | S235-L237 PolarHBondContact O-N 3.42Š|
| 238 | P | 51.5 | Low | 53.2 | Low | 110 Ų | 110 | 124.7 Ų | 124.7 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148.1 | -179.6 | 27.6 | -34.3 | 0 | 0 | 0 | 111.3 | A240 | P238-A240 PolarHBondContact O-N 3.45Š|
| 239 | P | 44.4 | Very low | 51.2 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -70.1 | 115.8 | 178.5 | 28.3 | -31.9 | 0 | 0 | 0 | 109.9 | S241 | P239-S241 PolarHBondContact O-N 2.94Š|
| 240 | A | 36.1 | Very low | 49.3 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69 | 125.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P238 | P238-A240 PolarHBondContact O-N 3.45Š|
| 241 | S | 37.3 | Very low | 47.3 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 135 | 180 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | P239 L243 | P239-S241 PolarHBondContact O-N 2.94Å; S241-L243 PolarHBondContact O-N 2.76Å |
| 242 | V | 37.1 | Very low | 45.9 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 117.8 | 171.6 | -167.6 | 0 | 0 | 0 | 0 | 109 | | |
| 243 | L | 34.2 | Very low | 44.7 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | -121.8 | 103.7 | 156.7 | -170.9 | 86.2 | 0 | 0 | 0 | 107 | S241 | S241-L243 PolarHBondContact O-N 2.76Š|
| 244 | S | 35.7 | Very low | 43.9 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | trans | -77.9 | 127.2 | 169.2 | 172.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 245 | D | 35.6 | Very low | 43.2 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 61% | 0.61 | 79% | 0.789 | S | S | * | * | | | | -170 | 132.7 | 122.7 | -131.5 | -135 | 0 | 0 | 0 | 113.8 | | |
| 246 | K | 37 | Very low | 42.6 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | | | trans | 68.1 | 115 | 158.4 | -48.2 | -51.4 | -172.8 | -109.3 | 0 | 120.4 | | |
| 247 | A | 43.8 | Very low | 43 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -62.9 | 128.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 248 | V | 41.3 | Very low | 43.5 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -129.6 | 117 | 152.1 | 167.6 | 0 | 0 | 0 | 0 | 107.8 | P250 | V248-P250 WeakPolarHBondContact O-CD 3.25Š|
| 249 | K | 38.7 | Very low | 44.4 | Very low | 175 Ų | 175 | 135 Ų | 135 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -71.2 | 117.1 | 176.1 | -179 | 172.5 | 178.8 | 172.8 | 0 | 109 | Q251 | K249-Q251 PolarHBondContact O-N 3.23Å; K249-Q251 VanDerWaalsContact O-N 3.17Å |
| 250 | P | 37.6 | Very low | 45.6 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -71.9 | 112.2 | 166.8 | 27.7 | -28.9 | 0 | 0 | 0 | 108.3 | V248 L252 | V248-P250 WeakPolarHBondContact O-CD 3.25Å; P250-L252 PolarHBondContact O-N 2.8Å |
| 251 | Q | 36.4 | Very low | 47.3 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -58.2 | 116 | 165.8 | -94 | -84.6 | -24.5 | 0 | 0 | 108.9 | K249 A253 | K249-Q251 PolarHBondContact O-N 3.23Å; K249-Q251 VanDerWaalsContact O-N 3.17Å; Q251-A253 PolarHBondContact O-N 3.46Å |
| 252 | L | 42.8 | Very low | 49.2 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -67.1 | 115 | 164.9 | -76.1 | 167 | 0 | 0 | 0 | 107.7 | P250 | P250-L252 PolarHBondContact O-N 2.8Š|
| 253 | A | 44.9 | Very low | 50.8 | Low | 83 Ų | 83 | 135.8 Ų | 135.8 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q251 L255 | Q251-A253 PolarHBondContact O-N 3.46Å; A253-L255 PolarHBondContact O-N 2.98Å |
| 254 | P | 49.2 | Very low | 52.3 | Low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.1 | 172.9 | -20 | 31.7 | 0 | 0 | 0 | 109.9 | H256 | P254-H256 PolarHBondContact O-N 3.39Š|
| 255 | L | 47.5 | Very low | 53.8 | Low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 123.6 | 168 | -76.5 | 170.7 | 0 | 0 | 0 | 108.7 | A253 L257 | A253-L255 PolarHBondContact O-N 2.98Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.9Å |
| 256 | H | 52.6 | Low | 54.8 | Low | 193 Ų | 193 | 139.1 Ų | 139.1 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | trans | -71.4 | 89.6 | 176 | -148.1 | -97.3 | 0 | 0 | 0 | 108.4 | P254 | P254-H256 PolarHBondContact O-N 3.39Š|
| 257 | L | 64.4 | Low | 55.8 | Low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 142.8 | 171.4 | -72.2 | 166.4 | 0 | 0 | 0 | 109.3 | L255 | L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.9Å |
| 258 | P | 64.9 | Low | 56.6 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 152.1 | 171.5 | 28.3 | -33.9 | 0 | 0 | 0 | 110.4 | I260 | P258-I260 PolarHBondContact O-N 2.8Š|
| 259 | P | 70.3 | Confident | 57.2 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.4 | 178 | 25.1 | -33 | 0 | 0 | 0 | 111.1 | | |
| 260 | I | 70 | Confident | 57.4 | Low | 160 Ų | 160 | 138.5 Ų | 138.5 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63 | 131.8 | 176.2 | -61.6 | 170.1 | 0 | 0 | 0 | 108.4 | P258 | P258-I260 PolarHBondContact O-N 2.8Š|
| 261 | P | 71.8 | Confident | 57.6 | Low | 104 Ų | 104 | 136.2 Ų | 136.2 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 148.6 | 176.2 | 27.2 | -34.1 | 0 | 0 | 0 | 111 | | |
| 262 | P | 76.9 | Confident | 57.8 | Low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148.1 | 178.4 | 27.4 | -34.4 | 0 | 0 | 0 | 110.9 | L264 | P262-L264 PolarHBondContact O-N 2.87Š|
| 263 | P | 71.3 | Confident | 57.8 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.7 | 175.9 | 26.9 | -33 | 0 | 0 | 0 | 110.2 | | |
| 264 | L | 66.8 | Low | 57.5 | Low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 146.1 | 173.7 | -65.8 | 172.8 | 0 | 0 | 0 | 110.1 | P262 L266 | P262-L264 PolarHBondContact O-N 2.87Å; L264-L266 PolarHBondContact O-N 2.93Å |
| 265 | P | 66.5 | Low | 57.1 | Low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129 | 178.9 | 24.4 | -32.1 | 0 | 0 | 0 | 110.3 | L267 | P265-L267 PolarHBondContact O-N 3.36Š|
| 266 | L | 55.3 | Low | 56.6 | Low | 173 Ų | 173 | 141.7 Ų | 141.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -63.6 | 115.1 | 173.5 | -68.7 | 168.8 | 0 | 0 | 0 | 108.4 | L264 | L264-L266 PolarHBondContact O-N 2.93Š|
| 267 | L | 58.8 | Low | 55.8 | Low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.6 | 167.6 | -74.5 | 166.7 | 0 | 0 | 0 | 108.8 | P265 | P265-L267 PolarHBondContact O-N 3.36Š|
| 268 | P | 61.3 | Low | 54.4 | Low | 101 Ų | 101 | 138 Ų | 138 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 146.3 | 175.5 | 24.4 | -31.2 | 0 | 0 | 0 | 110.1 | F270 | P268-F270 PolarHBondContact O-N 3.12Š|
| 269 | P | 54.3 | Low | 53.7 | Low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 123.5 | -178.5 | 22.5 | -31 | 0 | 0 | 0 | 109.8 | G271 | P269-G271 PolarHBondContact O-N 3.25Å; P269-G271 VanDerWaalsContact O-N 3.1Å |
| 270 | F | 42.3 | Very low | 51.9 | Low | 192 Ų | 192 | 137.1 Ų | 137.1 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 116.7 | 169.5 | -96.5 | -94.6 | 0 | 0 | 0 | 108.6 | P268 Y272 | P268-F270 PolarHBondContact O-N 3.12Å; F270-Y272 PolarHBondContact O-N 3.2Å |
| 271 | G | 41.6 | Very low | 50.3 | Low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P269 | P269-G271 PolarHBondContact O-N 3.25Å; P269-G271 VanDerWaalsContact O-N 3.1Å |
| 272 | Y | 40.7 | Very low | 49.3 | Very low | 228 Ų | 228 | 135.4 Ų | 135.4 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 134.9 | 161 | -80 | -99.2 | 0 | 0 | 0 | 109.3 | F270 G274 | F270-Y272 PolarHBondContact O-N 3.2Å; Y272-G274 PolarHBondContact O-N 2.93Å |
| 273 | P | 43.2 | Very low | 47.1 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -73.7 | 98.6 | 165.4 | -13.4 | 29 | 0 | 0 | 0 | 109.4 | | |
| 274 | G | 37.7 | Very low | 45.4 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 149.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y272 | Y272-G274 PolarHBondContact O-N 2.93Š|
| 275 | L | 40.5 | Very low | 43.7 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 149.1 | -179.7 | -60.9 | 168.3 | 0 | 0 | 0 | 112.4 | | |
| 276 | K | 37.2 | Very low | 42.4 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 143.1 | -172.1 | -62.5 | -80.7 | -169 | 170.2 | 0 | 115.5 | | |
| 277 | A | 35.9 | Very low | 41.3 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -156.5 | 112.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 278 | E | 35.8 | Very low | 40.4 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -75.6 | 168.1 | 160.8 | -130 | -145.1 | 88.5 | 0 | 0 | 108.9 | | |
| 279 | P | 49.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | cis | -141.8 | 161.7 | 31.8 | 38.4 | -17.3 | 0 | 0 | 0 | 118.1 | | |
| 280 | A | 31.5 | Very low | 39.7 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | 157 | 102.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 281 | S | 38.2 | Very low | 40.7 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -65.8 | 180 | 162 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 282 | P | 49.1 | Very low | 41.7 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | cis | -133.7 | -177.3 | 10.8 | 42.9 | -22.5 | 0 | 0 | 0 | 112.7 | | |
| 283 | A | 31.2 | Very low | 43 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | cis | -168.1 | 153.7 | 23.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 284 | Q | 35.4 | Very low | 44.1 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | 69.1 | 141.8 | 152.5 | -40.4 | -147.5 | -61.8 | 0 | 0 | 118.1 | | |
| 285 | D | 31.5 | Very low | 45.3 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | cis | -159.3 | 138.7 | 7.8 | -166.1 | -125.3 | 0 | 0 | 0 | 108.9 | | |
| 286 | V | 39.4 | Very low | 46.3 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | 14 | 121.6 | 151.7 | -176.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 287 | Q | 32.2 | Very low | 47.4 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | | -168.4 | 108 | 114.6 | -156.3 | 161.1 | -48.9 | 0 | 0 | 111 | | |
| 288 | E | 40.1 | Very low | 48.5 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 132.4 | 179.3 | 177.3 | 177.5 | 90 | 0 | 0 | 111.4 | | |
| 289 | P | 47.6 | Very low | 49.3 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 148.2 | 163.9 | 31.9 | -30.2 | 0 | 0 | 0 | 111.7 | | |
| 290 | P | 52.7 | Low | 49.2 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145.9 | -164.7 | 28.2 | -35.2 | 0 | 0 | 0 | 114 | | |
| 291 | A | 63.3 | Low | 49.9 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 146.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 292 | P | 63.3 | Low | 50 | Low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 153.8 | 173.9 | 29.5 | -33.4 | 0 | 0 | 0 | 112.2 | | |
| 293 | P | 67.4 | Low | 49.2 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 156.1 | -176.3 | 29.1 | -35 | 0 | 0 | 0 | 112.9 | | |
| 294 | P | 66.1 | Low | 49.5 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 147.1 | -179.7 | 28.4 | -33.4 | 0 | 0 | 0 | 112.5 | | |
| 295 | L | 63.7 | Low | 49.4 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74 | 149.4 | 177.5 | -65.5 | 172.3 | 0 | 0 | 0 | 112 | | |
| 296 | P | 60.7 | Low | 49.5 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 154.1 | 179.8 | 29.7 | -33.9 | 0 | 0 | 0 | 112.9 | | |
| 297 | P | 61.2 | Low | 49.8 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74 | 151.8 | -179.2 | 30.4 | -34.5 | 0 | 0 | 0 | 112.6 | | |
| 298 | P | 59.1 | Low | 49.9 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 139.8 | 178.6 | 29.2 | -33.1 | 0 | 0 | 0 | 112 | | |
| 299 | L | 51.2 | Low | 49.5 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 147.6 | 177.6 | -69.6 | 170.8 | 0 | 0 | 0 | 112 | | |
| 300 | P | 47.5 | Very low | 49.1 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.1 | -177.3 | 28.3 | -32.5 | 0 | 0 | 0 | 111.9 | Y302 | P300-Y302 PolarHBondContact O-N 3.33Š|
| 301 | T | 47.2 | Very low | 48.5 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -74.3 | 108.5 | 167.2 | 23.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 302 | Y | 40.2 | Very low | 47.5 | Very low | 233 Ų | 233 | 134.3 Ų | 134.3 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | | | trans | 170.4 | 116 | 145.3 | -104.2 | -78.8 | 0 | 0 | 0 | 110.5 | P300 | P300-Y302 PolarHBondContact O-N 3.33Š|
| 303 | A | 33 | Very low | 46.6 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -164.8 | 117 | 141 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 304 | S | 37.4 | Very low | 45.4 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -53.9 | 145.9 | 168.1 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 305 | C | 32.1 | Very low | 44.2 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | trans | -147.5 | 120.6 | 155 | -131.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 306 | S | 34 | Very low | 43.3 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -56.5 | 158.6 | 167.6 | -72.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 307 | P | 45.5 | Very low | 42.5 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | -88.9 | 136.4 | 176.6 | 34.6 | -29.2 | 0 | 0 | 0 | 111.5 | | |
| 308 | R | 35.4 | Very low | 41.3 | Very low | 241 Ų | 241 | 132.1 Ų | 132.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | 150 | 121 | 136.2 | -176.5 | 174.5 | -179.5 | 164.1 | 0.1 | 114.1 | | |
| 309 | A | 31.7 | Very low | 40.1 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | 163.4 | 106 | 139.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 310 | S | 38.4 | Very low | 39.2 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | | 68.2 | 117.2 | 78.2 | -68.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 311 | L | 40.4 | Very low | 38.5 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | 93.8 | 156.6 | 155.9 | -53.1 | -177.8 | 0 | 0 | 0 | 119.1 | | |
| 312 | P | 42.8 | Very low | 37.7 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | cis | -132.1 | 166.4 | -43.8 | 35.4 | -18.8 | 0 | 0 | 0 | 113.3 | | |
| 313 | A | 44.5 | Very low | 37.9 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 153.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 314 | P | 41.1 | Very low | 38 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 160.4 | -173.9 | 33.4 | -34.4 | 0 | 0 | 0 | 113.9 | | |
| 315 | P | 42.1 | Very low | 38.5 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 147.9 | -167.4 | 34.5 | -33.3 | 0 | 0 | 0 | 113.6 | | |
| 316 | L | 44.3 | Very low | 39.9 | Very low | 164 Ų | 164 | 128.5 Ų | 128.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 144.9 | 166.9 | -70.9 | 167 | 0 | 0 | 0 | 110.3 | G318 | L316-G318 PolarHBondContact O-N 3.4Š|
| 317 | P | 44 | Very low | 41 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77 | 123.8 | 172.9 | 30 | -29 | 0 | 0 | 0 | 109.9 | | |
| 318 | G | 36.4 | Very low | 41.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -117.5 | 157.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L316 | L316-G318 PolarHBondContact O-N 3.4Š|
| 319 | A | 32.8 | Very low | 42.6 | Very low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 150.4 | 135.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 320 | N | 32.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 63% | 0.631 | 79% | 0.785 | S | S | * | * | | | cis | -176.9 | 151.1 | 0.1 | -118.3 | -38.2 | 0 | 0 | 0 | 109.5 | | |
| 321 | Y | 33 | Very low | 44.5 | Very low | 210 Ų | 210 | 127 Ų | 127 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | 57.2 | 111.3 | 155 | -55.8 | -65.1 | 0 | 0 | 0 | 122.4 | | |
| 322 | S | 29.9 | Very low | 44.6 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | | -161 | 132.7 | 115 | -154.3 | 0 | 0 | 0 | 0 | 110.2 | E324 | S322-E324 PolarHBondContact O-N 3.32Š|
| 323 | S | 45.2 | Very low | 44.4 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | -66 | 121 | 178.5 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 324 | E | 34.7 | Very low | 44.4 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -138.8 | 113.7 | 159.8 | -162.6 | 175.9 | 119.3 | 0 | 0 | 108.8 | S322 | S322-E324 PolarHBondContact O-N 3.32Š|
| 325 | A | 47.5 | Very low | 44.4 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 148.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 326 | P | 61.6 | Low | 44.3 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.9 | 176.3 | 26.4 | -33.2 | 0 | 0 | 0 | 110 | | |
| 327 | P | 57.1 | Low | 44 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.3 | 178.3 | 24 | -32.2 | 0 | 0 | 0 | 110 | | |
| 328 | P | 59 | Low | 43.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 141.8 | 179.8 | 25.9 | -32.7 | 0 | 0 | 0 | 110.8 | | |
| 329 | L | 55.8 | Low | 43.7 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 142.6 | 172.5 | -64.7 | 170.2 | 0 | 0 | 0 | 110.2 | | |
| 330 | P | 53.9 | Low | 44.2 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 139.2 | 179.4 | 24.6 | -32.8 | 0 | 0 | 0 | 110.9 | | |
| 331 | P | 55.6 | Low | 44.3 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 139.4 | 179.7 | 25.4 | -32.5 | 0 | 0 | 0 | 110.9 | S333 | P331-S333 PolarHBondContact O-N 2.72Š|
| 332 | K | 43.4 | Very low | 44.4 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 127.8 | 173.6 | -68.3 | 173.5 | 177.8 | 166.6 | 0 | 109.3 | | |
| 333 | S | 38 | Very low | 44.6 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.2 | -179.7 | -44.4 | 0 | 0 | 0 | 0 | 111.9 | P331 S335 | P331-S333 PolarHBondContact O-N 2.72Å; S333-S335 PolarHBondContact O-N 3.06Å |
| 334 | P | 44.1 | Very low | 44 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67 | 129.8 | 178.9 | -15.1 | 29.3 | 0 | 0 | 0 | 111.2 | F336 | P334-F336 PolarHBondContact O-N 2.58Š|
| 335 | S | 41.2 | Very low | 44.4 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -62 | 114.1 | 168.5 | -166 | 0 | 0 | 0 | 0 | 109.1 | S333 Q337 | S333-S335 PolarHBondContact O-N 3.06Å; S335-Q337 PolarHBondContact O-N 2.84Å |
| 336 | F | 39.8 | Very low | 43.9 | Very low | 194 Ų | 194 | 139 Ų | 139 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 116.2 | 171.4 | -83.1 | -82.8 | 0 | 0 | 0 | 109.5 | P334 | P334-F336 PolarHBondContact O-N 2.58Š|
| 337 | Q | 37.4 | Very low | 42.5 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.5 | 167.4 | -71.3 | -179 | -32.9 | 0 | 0 | 110.4 | S335 | S335-Q337 PolarHBondContact O-N 2.84Š|
| 338 | A | 36.2 | Very low | 41.7 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 339 | P | 38.7 | Very low | 41.3 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 147.5 | 163 | 17 | -4 | 0 | 0 | 0 | 111.7 | | |
| 340 | P | 43.1 | Very low | 40.5 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 138.3 | -177.2 | 35.3 | -31.1 | 0 | 0 | 0 | 111.4 | | |
| 341 | Q | 34.6 | Very low | 40 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | | | trans | -138.7 | 119.3 | 161.3 | -72.9 | -75.4 | -73.9 | 0 | 0 | 109.3 | | |
| 342 | K | 34.9 | Very low | 39.7 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -85.1 | 142.6 | 176.9 | -96.7 | -174.5 | 174.5 | -177.9 | 0 | 110.7 | | |
| 343 | V | 33.8 | Very low | 39.5 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | 55.8 | 115.5 | 135.4 | -171.7 | 0 | 0 | 0 | 0 | 119 | | |
| 344 | S | 34.4 | Very low | 39.8 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | | -161.5 | 141.1 | 118.7 | 63.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 345 | A | 41.4 | Very low | 39.6 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -81.8 | 152.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 346 | Q | 36.9 | Very low | 39.3 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -172 | 150.5 | 139.8 | -95.6 | -72.8 | 12.1 | 0 | 0 | 108.5 | | |
| 347 | A | 32.8 | Very low | 39.2 | Very low | 74 Ų | 74 | 127 Ų | 127 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | | | trans | -117.3 | 154.2 | -146 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 348 | L | 41.6 | Very low | 39.2 | Very low | 162 Ų | 162 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | 80.1 | 161.9 | 152.3 | -65.5 | 162.2 | 0 | 0 | 0 | 120.9 | | |
| 349 | P | 49.4 | Very low | 39.2 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | cis | -135.5 | 167 | -46.9 | 33.6 | -15.4 | 0 | 0 | 0 | 114.6 | | |
| 350 | A | 38.3 | Very low | 39 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 156 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 351 | P | 44.7 | Very low | 38.8 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 154.8 | -178.3 | 32.7 | -34.4 | 0 | 0 | 0 | 114.8 | | |
| 352 | P | 48.6 | Very low | 39 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93 | 156.8 | -171.1 | 36.5 | -34.5 | 0 | 0 | 0 | 115.2 | | |
| 353 | A | 40.1 | Very low | 39 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 152.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 354 | P | 43.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 154.9 | -180 | 32.7 | -33.2 | 0 | 0 | 0 | 114.6 | | |
| 355 | P | 41.1 | Very low | 39.4 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 163 | -164.2 | 38 | -34.5 | 0 | 0 | 0 | 114.9 | | |
| 356 | G | 33.6 | Very low | 39.4 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | -81.5 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 357 | S | 38.2 | Very low | 39.3 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -147.6 | 107.3 | 176.1 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 358 | Q | 37.4 | Very low | 39.9 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | 32.8 | 140.2 | 134.4 | -68.8 | -77.3 | -44.8 | 0 | 0 | 123.2 | | |
| 359 | T | 36.4 | Very low | 40.1 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | | | trans | -69.3 | 146.4 | 171.1 | 43.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 360 | F | 34.8 | Very low | 39.5 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | trans | -141.7 | 135.7 | 157.3 | -103.3 | -87.6 | 0 | 0 | 0 | 112.7 | | |
| 361 | L | 39.3 | Very low | 40 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | trans | -80.7 | 137.2 | 174.8 | -74.6 | 157 | 0 | 0 | 0 | 111.5 | | |
| 362 | Q | 37.2 | Very low | 40.2 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | trans | -155.8 | 104 | 150 | -79.2 | -52.3 | -46.2 | 0 | 0 | 113.2 | | |
| 363 | K | 36.1 | Very low | 40.1 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | | 53.6 | 122.5 | 122.8 | -159.5 | 164.2 | 165.5 | 179.4 | 0 | 122.8 | | |
| 364 | K | 40.8 | Very low | 41.1 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 70% | 0.704 | 81% | 0.812 | S | S | * | * | | | trans | -57.5 | 142.7 | 164.3 | 178.4 | 168.3 | -178.8 | 171.3 | 0 | 115.6 | H366 | K364-H366 WeakPolarHBondContact CE-CE1 3.04Š|
| 365 | R | 35.3 | Very low | 41.8 | Very low | 252 Ų | 252 | 141.2 Ų | 141.2 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | | | trans | -149.5 | 139.6 | 149.1 | -152.6 | -179.6 | -134.2 | -141.2 | 4.8 | 111.5 | | |
| 366 | H | 42.4 | Very low | 43.1 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | -99.3 | 154.5 | 176.9 | -67 | 112.3 | 0 | 0 | 0 | 112.2 | K364 | K364-H366 WeakPolarHBondContact CE-CE1 3.04Š|
| 367 | G | 33.3 | Very low | 45 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | 104.6 | 136.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 368 | R | 45.7 | Very low | 46.8 | Very low | 242 Ų | 242 | 145.8 Ų | 145.8 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | | | cis | -165 | -175.6 | 3 | -122.5 | -155.4 | -153.3 | -100.4 | 1.4 | 107.4 | | |
| 369 | P | 45.6 | Very low | 48.5 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | trans | -94.8 | 139.3 | -142.1 | 38.5 | -33.5 | 0 | 0 | 0 | 114.7 | | |
| 370 | G | 38.2 | Very low | 50.5 | Low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -102.6 | 113.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 371 | A | 48.2 | Very low | 52.4 | Low | 109 Ų | 109 | 137.4 Ų | 137.4 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | -72.9 | 148.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 372 | G | 48.6 | Very low | 54 | Low | 85 Ų | 85 | 135.4 Ų | 135.4 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | 129.1 | 95.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 373 | G | 47.5 | Very low | 55.9 | Low | 67 Ų | 67 | 133 Ų | 133 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | 165.8 | 93.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | K375 | G373-K375 PolarHBondContact O-N 3.07Š|
| 374 | G | 61 | Low | 57.4 | Low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -51.2 | 105 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | L376 | G374-L376 PolarHBondContact O-N 2.92Å; G374-L376 VanDerWaalsContact O-N 3.09Å |
| 375 | K | 57.8 | Low | 58.4 | Low | 201 Ų | 201 | 131.4 Ų | 131.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -73 | 96.1 | 165.6 | -80.4 | -178.4 | 165.8 | -175.3 | 0 | 107 | G373 N377 | G373-K375 PolarHBondContact O-N 3.07Å; K375-N377 PolarHBondContact O-N 3.38Å |
| 376 | L | 68.5 | Low | 59.4 | Low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.6 | 158.1 | -55.3 | 178.5 | 0 | 0 | 0 | 106.5 | G374 | G374-L376 PolarHBondContact O-N 2.92Å; G374-L376 VanDerWaalsContact O-N 3.09Å |
| 377 | N | 72.6 | Confident | 60.3 | Low | 152 Ų | 152 | 122 Ų | 122 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56 | 136.5 | 174.8 | -80 | -57.7 | 0 | 0 | 0 | 108.7 | K375 | K375-N377 PolarHBondContact O-N 3.38Š|
| 378 | P | 76.6 | Confident | 61 | Low | 106 Ų | 106 | 124 Ų | 124 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 145.3 | 172.1 | 25.8 | -32.9 | 0 | 0 | 0 | 108.9 | | |
| 379 | P | 73.2 | Confident | 61.5 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.3 | 174.3 | 25.7 | -33.6 | 0 | 0 | 0 | 109.4 | A381 | P379-A381 PolarHBondContact O-N 3.41Š|
| 380 | P | 77.9 | Confident | 61.8 | Low | 126 Ų | 126 | 120.1 Ų | 120.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 139.4 | 177.3 | 24.2 | -33 | 0 | 0 | 0 | 109.7 | | |
| 381 | A | 74.8 | Confident | 62.4 | Low | 88 Ų | 88 | 124 Ų | 124 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | P379 | P379-A381 PolarHBondContact O-N 3.41Š|
| 382 | P | 72.8 | Confident | 62.2 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 145.2 | 174.9 | 25 | -32.9 | 0 | 0 | 0 | 109.6 | A384 | P382-A384 PolarHBondContact O-N 2.69Š|
| 383 | P | 76.4 | Confident | 62 | Low | 121 Ų | 121 | 124.7 Ų | 124.7 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 134 | 178.5 | -23.8 | 32 | 0 | 0 | 0 | 110.5 | R385 | P383-R385 PolarHBondContact O-N 3.21Å; P383-R385 VanDerWaalsContact O-N 3.12Å |
| 384 | A | 68.2 | Low | 62.1 | Low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 122.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P382 S386 | P382-A384 PolarHBondContact O-N 2.69Å; A384-S386 PolarHBondContact O-N 3.33Å |
| 385 | R | 61.2 | Low | 61.4 | Low | 223 Ų | 223 | 131.2 Ų | 131.2 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.9 | 174.5 | -75.7 | -179.9 | 162.9 | -163.2 | -5.1 | 108 | P383 | P383-R385 PolarHBondContact O-N 3.21Å; P383-R385 VanDerWaalsContact O-N 3.12Å |
| 386 | S | 57.8 | Low | 61.1 | Low | 78 Ų | 78 | 130.1 Ų | 130.1 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 144.9 | 177 | -45.5 | 0 | 0 | 0 | 0 | 110.8 | A384 T388 | A384-S386 PolarHBondContact O-N 3.33Å; S386-T388 PolarHBondContact O-N 2.92Å |
| 387 | P | 59.5 | Low | 59.9 | Low | 133 Ų | 133 | 130.5 Ų | 130.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 22.3 | -176.8 | 30.1 | -35.8 | 0 | 0 | 0 | 114.4 | | |
| 388 | T | 49.7 | Very low | 58 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 3.7 | -172.1 | 85.5 | 0 | 0 | 0 | 0 | 113.8 | S386 | S386-T388 PolarHBondContact O-N 2.92Š|
| 389 | T | 54.8 | Low | 56.5 | Low | 92 Ų | 92 | 130.4 Ų | 130.4 | 56% | 0.564 | 76% | 0.762 | S | S | * | * | | | trans | -111.5 | 14 | 176.7 | 96.1 | 0 | 0 | 0 | 0 | 113.1 | L391 | T389-L391 VanDerWaalsContact C-N 3.3Å; T389-L391 PolarHBondContact O-N 3.17Å |
| 390 | E | 51.6 | Low | 54.7 | Low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | -84.3 | 88.6 | 159.8 | -63.8 | -150.9 | 104.2 | 0 | 0 | 106.7 | S392 | E390-S392 PolarHBondContact O-N 3.47Š|
| 391 | L | 50.8 | Low | 52.6 | Low | 161 Ų | 161 | 133.6 Ų | 133.6 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | -62.1 | 84.9 | 155 | -67.6 | 177 | 0 | 0 | 0 | 106.5 | T389 S393 | T389-L391 VanDerWaalsContact C-N 3.3Å; T389-L391 PolarHBondContact O-N 3.17Å; L391-S393 PolarHBondContact O-N 3.1Å |
| 392 | S | 45.5 | Very low | 50.8 | Low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | trans | -54.6 | 89.9 | 157.2 | -179.2 | 0 | 0 | 0 | 0 | 106.3 | E390 K394 | E390-S392 PolarHBondContact O-N 3.47Å; S392-K394 PolarHBondContact O-N 3.38Å |
| 393 | S | 43 | Very low | 49.2 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -72.1 | 74.8 | 171.9 | -78.5 | 0 | 0 | 0 | 0 | 108.1 | L391 | L391-S393 PolarHBondContact O-N 3.1Š|
| 394 | K | 50.3 | Low | 47.1 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -104.3 | 63 | 168 | -155 | 173.1 | 179.6 | -176.3 | 0 | 106.6 | S392 Q396 | S392-K394 PolarHBondContact O-N 3.38Å; K394-Q396 PolarHBondContact O-N 3.21Å; K394-Q396 VanDerWaalsContact O-N 3.12Å |
| 395 | S | 45.8 | Very low | 45.9 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | -84 | 74 | 163.5 | 56.6 | 0 | 0 | 0 | 0 | 108.8 | Q397 | S395-Q397 PolarHBondContact O-N 3.04Å; S395-Q397 VanDerWaalsContact O-N 3.15Å |
| 396 | Q | 51.8 | Low | 44.5 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | -78.2 | 71.5 | 154 | -170.1 | -177.6 | 75.3 | 0 | 0 | 107.2 | K394 | K394-Q396 PolarHBondContact O-N 3.21Å; K394-Q396 VanDerWaalsContact O-N 3.12Å |
| 397 | Q | 43.5 | Very low | 44.1 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | -149.3 | 81.1 | 165.5 | -67.8 | -162 | -22 | 0 | 0 | 108.6 | S395 | S395-Q397 PolarHBondContact O-N 3.04Å; S395-Q397 VanDerWaalsContact O-N 3.15Å |
| 398 | V | 32.9 | Very low | 42.8 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | trans | -88.4 | 91.6 | 154 | 175.2 | 0 | 0 | 0 | 0 | 104.8 | A400 | V398-A400 PolarHBondContact O-N 2.94Š|
| 399 | T | 44.4 | Very low | 42.9 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | | | trans | -80.3 | 113.4 | 155.9 | -53.5 | 0 | 0 | 0 | 0 | 105.6 | W401 | T399-W401 PolarHBondContact O-N 3.42Š|
| 400 | A | 36.1 | Very low | 42.1 | Very low | 63 Ų | 63 | 137.2 Ų | 137.2 | 52% | 0.521 | 77% | 0.773 | S | S | . | * | | | trans | -53.3 | 133.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | V398 T402 | V398-A400 PolarHBondContact O-N 2.94Å; A400-T402 VanDerWaalsContact C-N 3.33Å; A400-T402 PolarHBondContact O-N 3.45Å |
| 401 | W | 34.4 | Very low | 42.5 | Very low | 244 Ų | 244 | 136.3 Ų | 136.3 | 92% | 0.924 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 92.4 | 172.9 | 0.3 | -57.7 | 0 | 0 | 0 | 105.9 | T399 | T399-W401 PolarHBondContact O-N 3.42Š|
| 402 | T | 35.7 | Very low | 42.3 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | | | trans | -134.6 | 111.5 | 166.7 | 47.6 | 0 | 0 | 0 | 0 | 107.4 | A400 T404 | A400-T402 VanDerWaalsContact C-N 3.33Å; A400-T402 PolarHBondContact O-N 3.45Å; T402-T404 PolarHBondContact O-N 3.3Å |
| 403 | P | 39.3 | Very low | 42.2 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -77.1 | 84.9 | 164.3 | 31.7 | -27.6 | 0 | 0 | 0 | 106.7 | Q405 | P403-Q405 PolarHBondContact O-N 2.9Š|
| 404 | T | 32.9 | Very low | 42.6 | Very low | 104 Ų | 104 | 138 Ų | 138 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | | | trans | -87.6 | 99.8 | 158.5 | -68.1 | 0 | 0 | 0 | 0 | 106.5 | T402 Q406 | T402-T404 PolarHBondContact O-N 3.3Å; T404-Q406 HydrophobicContact CG2-CG 4.06Å; T404-Q406 PolarHBondContact O-N 3.18Å |
| 405 | Q | 42.3 | Very low | 42.8 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -54.7 | 113.7 | 160.2 | -83.4 | -107.2 | 51.3 | 0 | 0 | 108.6 | P403 | P403-Q405 PolarHBondContact O-N 2.9Š|
| 406 | Q | 32.7 | Very low | 43.3 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -128.6 | 120.1 | 157.7 | -81.8 | -64.5 | -42.7 | 0 | 0 | 107.9 | T404 | T404-Q406 HydrophobicContact CG2-CG 4.06Å; T404-Q406 PolarHBondContact O-N 3.18Å |
| 407 | P | 49.2 | Very low | 43.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -85.3 | 121.1 | 172.9 | 33.1 | -26.9 | 0 | 0 | 0 | 108.3 | | |
| 408 | G | 32.7 | Very low | 44.4 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | | | trans | -172.8 | 96.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 409 | G | 51.1 | Low | 45.7 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | | | trans | -64.7 | 151.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 410 | Q | 37.9 | Very low | 47.1 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | | | trans | -154.7 | 127.5 | 146.6 | -149.9 | -179 | 74.2 | 0 | 0 | 110.9 | R412 | Q410-R412 PolarHBondContact O-N 3.21Š|
| 411 | L | 60.2 | Low | 49.1 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | | | trans | -61 | 123.5 | 171.6 | -43.6 | 169 | 0 | 0 | 0 | 108.9 | | |
| 412 | R | 47.5 | Very low | 51.1 | Low | 215 Ų | 215 | 128 Ų | 128 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | | | trans | 171.6 | 127.7 | 138.9 | -98.8 | -83.3 | 170.6 | -171.4 | -0.5 | 112.5 | Q410 | Q410-R412 PolarHBondContact O-N 3.21Š|
| 413 | N | 43 | Very low | 52.9 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | | | trans | 71.9 | 91.3 | 150.4 | -59.4 | -23.9 | 0 | 0 | 0 | 118.6 | S415 | N413-S415 VanDerWaalsContact C-N 3.32Å; N413-S415 PolarHBondContact O-N 2.92Å |
| 414 | G | 51.9 | Low | 54.6 | Low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | S | Bend | | 52.8 | 30.4 | 107.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 415 | S | 53.3 | Low | 56.8 | Low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | | | trans | -166.2 | 144.3 | 162.9 | -155.4 | 0 | 0 | 0 | 0 | 107 | N413 | N413-S415 VanDerWaalsContact C-N 3.32Å; N413-S415 PolarHBondContact O-N 2.92Å |
| 416 | L | 56.5 | Low | 58.4 | Low | 154 Ų | 154 | 125.4 Ų | 125.4 | 81% | 0.806 | 69% | 0.687 | S | S | * | * | | | trans | 97.1 | 41.5 | -175.8 | -49.7 | 170.2 | 0 | 0 | 0 | 117.3 | | |
| 417 | H | 58.9 | Low | 60.8 | Low | 128 Ų | 128 | 124.3 Ų | 124.3 | 59% | 0.593 | 69% | 0.692 | S | S | * | * | | | trans | -118.6 | 0.7 | 164.7 | 25.5 | -80.6 | 0 | 0 | 0 | 113.8 | I419 D420 D421 | H417-I419 VanDerWaalsContact C-N 3.3Å; H417-I419 PolarHBondContact O-N 3.48Å; H417-D420 PolarHBondContact O-N 3.21Å; H417-D421 PolarHBondContact O-N 3.09Å; H417-D421 VanDerWaalsContact O-N 3.08Å |
| 418 | I | 58.9 | Low | 62.4 | Low | 154 Ų | 154 | 125.9 Ų | 125.9 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.8 | -31.6 | 178.6 | -81.2 | 163.3 | 0 | 0 | 0 | 112.5 | | |
| 419 | I | 61.6 | Low | 64.8 | Low | 120 Ų | 120 | 128.4 Ų | 128.4 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.7 | -36.1 | -179 | -52.2 | 155.1 | 0 | 0 | 0 | 109.8 | H417 | H417-I419 VanDerWaalsContact C-N 3.3Å; H417-I419 PolarHBondContact O-N 3.48Å |
| 420 | D | 72.4 | Confident | 66.3 | Low | 97 Ų | 97 | 127.6 Ų | 127.6 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -76.3 | -25.6 | -178.5 | -157.8 | 47.1 | 0 | 0 | 0 | 112.9 | H417 F422 E423 S424 | H417-D420 PolarHBondContact O-N 3.21Å; D420-F422 VanDerWaalsContact C-N 3.35Å; D420-E423 PolarHBondContact O-N 3.25Å; D420-S424 WeakPolarHBondContact O-CB 3.01Å; D420-S424 PolarHBondContact O-N 2.81Å; D420-S424 PolarHBondContact O-OG 2.85Å |
| 421 | D | 78.6 | Confident | 68.3 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 48% | 0.481 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71.6 | -26.9 | 176.7 | -167.6 | 43.9 | 0 | 0 | 0 | 112.8 | H417 K425 | H417-D421 PolarHBondContact O-N 3.09Å; H417-D421 VanDerWaalsContact O-N 3.08Å; D421-K425 WeakPolarHBondContact O-CG 3.11Å; D421-K425 IonicContact OD1-NZ 2.76Å; D421-K425 PolarHBondContact OD1-NZ 3.14Å; D421-K425 IonicContact OD2-NZ 3.75Å; D421-K425 PolarHBondContact OD2-NZ 3.49Å |
| 422 | F | 77.4 | Confident | 69.5 | Low | 145 Ų | 145 | 123.8 Ų | 123.8 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.2 | -43.4 | 172.9 | 180 | -99.3 | 0 | 0 | 0 | 111.4 | D420 S424 K425 | D420-F422 VanDerWaalsContact C-N 3.35Å; F422-S424 VanDerWaalsContact C-N 3.32Å; F422-K425 PolarHBondContact O-N 3.4Å |
| 423 | E | 72.6 | Confident | 71.5 | Confident | 118 Ų | 118 | 118.3 Ų | 118.3 | 55% | 0.551 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68 | -32 | 176.7 | -69.3 | -178.6 | -179.7 | 0 | 0 | 111.7 | D420 K425 F426 | D420-E423 PolarHBondContact O-N 3.25Å; E423-K425 PolarHBondContact O-N 3.02Å; E423-F426 PolarHBondContact O-N 3.27Å |
| 424 | S | 75.7 | Confident | 73.6 | Confident | 82 Ų | 82 | 119 Ų | 119 | 57% | 0.573 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -17.3 | 177.1 | -72.1 | 0 | 0 | 0 | 0 | 114.9 | D420 F422 F426 | D420-S424 WeakPolarHBondContact O-CB 3.01Å; D420-S424 PolarHBondContact O-N 2.81Å; D420-S424 PolarHBondContact O-OG 2.85Å; F422-S424 VanDerWaalsContact C-N 3.32Å; S424-F426 VanDerWaalsContact C-N 3.31Å |
| 425 | K | 77.9 | Confident | 75.4 | Confident | 138 Ų | 138 | 120.5 Ų | 120.5 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -14.2 | 175.4 | -48.4 | -140.5 | -163 | -59.2 | 0 | 113 | D421 F422 E423 | D421-K425 WeakPolarHBondContact O-CG 3.11Å; D421-K425 IonicContact OD1-NZ 2.76Å; D421-K425 PolarHBondContact OD1-NZ 3.14Å; D421-K425 IonicContact OD2-NZ 3.75Å; D421-K425 PolarHBondContact OD2-NZ 3.49Å; F422-K425 PolarHBondContact O-N 3.4Å; E423-K425 PolarHBondContact O-N 3.02Å |
| 426 | F | 76.4 | Confident | 77.1 | Confident | 119 Ų | 119 | 121.4 Ų | 121.4 | 52% | 0.522 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -125.9 | 107.6 | -179.2 | -73.2 | -84.3 | 0 | 0 | 0 | 109.6 | E423 S424 F428 | E423-F426 PolarHBondContact O-N 3.27Å; S424-F426 VanDerWaalsContact C-N 3.31Å; F426-F428 HydrophobicContact CB-CD2 3.95Å; F426-F428 HydrophobicContact CB-CE2 3.38Å; F426-F428 HydrophobicContact CB-CZ 3.75Å; F426-F428 HydrophobicContact CG-CE2 4.3Å; F426-F428 HydrophobicContact CG-CZ 4.27Å; F426-F428 VanDerWaalsContact O-CD2 3.3Å; F426-F428 WeakPolarHBondContact O-CD2 3.35Å; F426-F428 PolarHBondContact O-N 3.32Å |
| 427 | T | 82.9 | Confident | 78.6 | Confident | 138 Ų | 138 | 119.9 Ų | 119.9 | 85% | 0.847 | 63% | 0.629 | S | S | * | * | | | trans | -70.2 | 99.6 | 166.7 | -52.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 428 | F | 82.1 | Confident | 80 | Confident | 152 Ų | 152 | 121.4 Ų | 121.4 | 67% | 0.667 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 131.6 | 169.8 | -68 | -80.9 | 0 | 0 | 0 | 109.5 | F426 S430 | F426-F428 HydrophobicContact CB-CD2 3.95Å; F426-F428 HydrophobicContact CB-CE2 3.38Å; F426-F428 HydrophobicContact CB-CZ 3.75Å; F426-F428 HydrophobicContact CG-CE2 4.3Å; F426-F428 HydrophobicContact CG-CZ 4.27Å; F426-F428 VanDerWaalsContact O-CD2 3.3Å; F426-F428 WeakPolarHBondContact O-CD2 3.35Å; F426-F428 PolarHBondContact O-N 3.32Å; F428-S430 PolarHBondContact O-N 3.44Å |
| 429 | H | 84.9 | Confident | 81.5 | Confident | 126 Ų | 126 | 121.5 Ų | 121.5 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 132.4 | 162.3 | -64.1 | -78.8 | 0 | 0 | 0 | 108.2 | D433 F434 | H429-D433 HydrophobicContact CB-CB 4.2Å; H429-D433 IonicContact CE1-OD2 3.5Å; H429-D433 IonicContact CG-OD2 2.87Å; H429-D433 IonicContact ND1-OD2 2.8Å; H429-D433 PolarHBondContact ND1-OD2 3.49Å; H429-F434 HydrophobicContact CB-CE2 4.23Å; H429-F434 HydrophobicContact CB-CZ 4.41Å |
| 430 | S | 82.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 124.8 Ų | 124.8 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 158.7 | 176.4 | 80.2 | 0 | 0 | 0 | 0 | 109.7 | F428 E432 D433 F434 | F428-S430 PolarHBondContact O-N 3.44Å; S430-E432 WeakPolarHBondContact CB-OE2 3.22Å; S430-E432 PolarHBondContact O-N 2.94Å; S430-E432 PolarHBondContact OG-OE2 3.45Å; S430-D433 WeakPolarHBondContact O-CB 2.92Å; S430-D433 PolarHBondContact O-N 3.01Å; S430-F434 WeakPolarHBondContact O-CD2 3.31Å |
| 431 | V | 79.6 | Confident | 83.6 | Confident | 120 Ų | 120 | 127.1 Ų | 127.1 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -60.2 | -23 | -177.7 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | F434 | V431-F434 PolarHBondContact O-N 3.27Š|
| 432 | E | 85.2 | Confident | 84 | Confident | 152 Ų | 152 | 128.1 Ų | 128.1 | 71% | 0.71 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -77.5 | -17.1 | 178 | -57.4 | 71.3 | -153.4 | 0 | 0 | 114 | S430 F434 | S430-E432 WeakPolarHBondContact CB-OE2 3.22Å; S430-E432 PolarHBondContact O-N 2.94Å; S430-E432 PolarHBondContact OG-OE2 3.45Å; E432-F434 VanDerWaalsContact C-N 3.28Å |
| 433 | D | 88.9 | Confident | 84.3 | Confident | 101 Ų | 101 | 125.9 Ų | 125.9 | 54% | 0.54 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -83.1 | -9.1 | 175.2 | -163.7 | 30.2 | 0 | 0 | 0 | 111.8 | H429 S430 | H429-D433 HydrophobicContact CB-CB 4.2Å; H429-D433 IonicContact CE1-OD2 3.5Å; H429-D433 IonicContact CG-OD2 2.87Å; H429-D433 IonicContact ND1-OD2 2.8Å; H429-D433 PolarHBondContact ND1-OD2 3.49Å; S430-D433 WeakPolarHBondContact O-CB 2.92Å; S430-D433 PolarHBondContact O-N 3.01Å |
| 434 | F | 87.3 | Confident | 84.9 | Confident | 129 Ų | 129 | 128.8 Ų | 128.8 | 57% | 0.566 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -82.2 | 136 | 171 | -67.2 | -85.7 | 0 | 0 | 0 | 110 | H429 S430 V431 E432 | H429-F434 HydrophobicContact CB-CE2 4.23Å; H429-F434 HydrophobicContact CB-CZ 4.41Å; S430-F434 WeakPolarHBondContact O-CD2 3.31Å; V431-F434 PolarHBondContact O-N 3.27Å; E432-F434 VanDerWaalsContact C-N 3.28Å |
| 435 | P | 90.4 | Very high | 85.3 | Confident | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145.8 | 171.4 | 26.3 | -33.7 | 0 | 0 | 0 | 109.3 | | |
| 436 | P | 88.4 | Confident | 85.5 | Confident | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 137.2 | 172 | -26 | 34.1 | 0 | 0 | 0 | 110 | D438 | P436-D438 PolarHBondContact O-N 3.36Š|
| 437 | P | 87.4 | Confident | 85.7 | Confident | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 136.9 | 178.4 | 24.6 | -33.2 | 0 | 0 | 0 | 109.5 | E439 | P437-E439 PolarHBondContact O-N 3.37Š|
| 438 | D | 88.3 | Confident | 85.4 | Confident | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 140.8 | 176.5 | -66.9 | -43 | 0 | 0 | 0 | 110.7 | P436 Y440 | P436-D438 PolarHBondContact O-N 3.36Å; D438-Y440 PolarHBondContact O-N 3.02Å |
| 439 | E | 91.6 | Very high | 85 | Confident | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.7 | 173.3 | -105.5 | 91.5 | -152.4 | 0 | 0 | 110.4 | P437 K441 | P437-E439 PolarHBondContact O-N 3.37Å; E439-K441 PolarHBondContact O-N 3.18Å |
| 440 | Y | 89.8 | Confident | 84.1 | Confident | 189 Ų | 189 | 128 Ų | 128 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | | | trans | -56.5 | 113.9 | 174.5 | 177.6 | -102.1 | 0 | 0 | 0 | 110.6 | D438 P442 | D438-Y440 PolarHBondContact O-N 3.02Å; Y440-P442 HydrophobicContact CD1-CG 4.33Å; Y440-P442 HydrophobicContact CE1-CB 4.25Å; Y440-P442 HydrophobicContact CE1-CG 3.98Å |
| 441 | K | 88.9 | Confident | 83.6 | Confident | 147 Ų | 147 | 129.7 Ų | 129.7 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | | | trans | -94.1 | 121 | 168.4 | -59.2 | -55.4 | 177.4 | -173.2 | 0 | 108.6 | E439 C443 | E439-K441 PolarHBondContact O-N 3.18Å; K441-C443 PolarHBondContact O-N 3.29Å; K441-C443 PolarHBondContact O-SG 3.29Å |
| 442 | P | 87.1 | Confident | 83 | Confident | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 68% | 0.676 | S | S | * | * | | | trans | -60.1 | 103.6 | 171.8 | -22 | 32.7 | 0 | 0 | 0 | 109.8 | Y440 | Y440-P442 HydrophobicContact CD1-CG 4.33Å; Y440-P442 HydrophobicContact CE1-CB 4.25Å; Y440-P442 HydrophobicContact CE1-CG 3.98Å |
| 443 | C | 82.1 | Confident | 82.2 | Confident | 97 Ų | 97 | 132.5 Ų | 132.5 | 66% | 0.655 | 68% | 0.681 | S | S | * | * | | | trans | -106 | 132.3 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 108.7 | K441 K445 | K441-C443 PolarHBondContact O-N 3.29Å; K441-C443 PolarHBondContact O-SG 3.29Å; C443-K445 PolarHBondContact O-N 3.21Å |
| 444 | Q | 84.9 | Confident | 80.8 | Confident | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | | | trans | -66 | 106.1 | 172.5 | -170.8 | 174.4 | 9.9 | 0 | 0 | 108.5 | I446 | Q444-I446 HydrophobicContact CG-CG1 4.35Å; Q444-I446 PolarHBondContact O-N 3.43Å |
| 445 | K | 85.4 | Confident | 79.4 | Confident | 152 Ų | 152 | 138 Ų | 138 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | | | trans | -75.4 | 91.6 | -178.9 | -157.2 | 137.8 | 77.1 | 176.3 | 0 | 109.4 | C443 Y447 | C443-K445 PolarHBondContact O-N 3.21Å; K445-Y447 HydrophobicContact CB-CE2 4.06Å; K445-Y447 HydrophobicContact CD-CE1 4.27Å; K445-Y447 WeakPolarHBondContact CE-OH 3.45Å; K445-Y447 HydrophobicContact CG-CD1 4.41Å; K445-Y447 HydrophobicContact CG-CD2 4.46Å; K445-Y447 HydrophobicContact CG-CE1 3.9Å; K445-Y447 HydrophobicContact CG-CE2 3.97Å; K445-Y447 WeakPolarHBondContact O-CD2 3.49Å; K445-Y447 PolarHBondContact O-N 3.29Å |
| 446 | I | 81.8 | Confident | 77.4 | Confident | 118 Ų | 118 | 137.8 Ų | 137.8 | 61% | 0.605 | 70% | 0.701 | S | S | * | * | | | trans | -80.2 | 98.8 | 173 | -57.9 | 169.7 | 0 | 0 | 0 | 107.1 | Q444 I451 | Q444-I446 HydrophobicContact CG-CG1 4.35Å; Q444-I446 PolarHBondContact O-N 3.43Å; I446-I451 HydrophobicContact CG2-CG1 4.31Å |
| 447 | Y | 80.1 | Confident | 75.6 | Confident | 120 Ų | 120 | 139.1 Ų | 139.1 | 47% | 0.471 | 71% | 0.71 | S | S | . | * | | | trans | -72.1 | 138.4 | 172.3 | -60.8 | -84.5 | 0 | 0 | 0 | 109.2 | K445 S449 K450 | K445-Y447 HydrophobicContact CB-CE2 4.06Å; K445-Y447 HydrophobicContact CD-CE1 4.27Å; K445-Y447 WeakPolarHBondContact CE-OH 3.45Å; K445-Y447 HydrophobicContact CG-CD1 4.41Å; K445-Y447 HydrophobicContact CG-CD2 4.46Å; K445-Y447 HydrophobicContact CG-CE1 3.9Å; K445-Y447 HydrophobicContact CG-CE2 3.97Å; K445-Y447 WeakPolarHBondContact O-CD2 3.49Å; K445-Y447 PolarHBondContact O-N 3.29Å; Y447-S449 PolarHBondContact O-N 3.41Å; Y447-K450 PolarHBondContact O-N 3.17Å |
| 448 | P | 76.8 | Confident | 73.4 | Confident | 102 Ų | 102 | 135.5 Ų | 135.5 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -20.4 | 176.5 | -26.7 | 33.8 | 0 | 0 | 0 | 114.2 | K450 | P448-K450 VanDerWaalsContact C-N 3.34Š|
| 449 | S | 73.9 | Confident | 71.3 | Confident | 85 Ų | 85 | 134.1 Ų | 134.1 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -15.1 | 175.3 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | Y447 | Y447-S449 PolarHBondContact O-N 3.41Š|
| 450 | K | 65.9 | Low | 69.3 | Low | 162 Ų | 162 | 138.4 Ų | 138.4 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -97.6 | -5.8 | -179 | -61 | -60.5 | -176.8 | 179.8 | 0 | 113.5 | Y447 P448 | Y447-K450 PolarHBondContact O-N 3.17Å; P448-K450 VanDerWaalsContact C-N 3.34Å |
| 451 | I | 72.3 | Confident | 67.5 | Low | 100 Ų | 100 | 137 Ų | 137 | 51% | 0.513 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -77.2 | 125.9 | 172.6 | -39.5 | 167.8 | 0 | 0 | 0 | 107.1 | I446 R453 | I446-I451 HydrophobicContact CG2-CG1 4.31Å; I451-R453 PolarHBondContact O-N 3.09Å |
| 452 | P | 67.6 | Low | 65 | Low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | | | trans | -56 | 109.3 | 172.2 | -22.4 | 32.8 | 0 | 0 | 0 | 109 | S454 | P452-S454 VanDerWaalsContact C-N 3.3Å; P452-S454 PolarHBondContact O-N 3.28Å |
| 453 | R | 66.4 | Low | 62.9 | Low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | | | trans | -72.8 | 90.6 | 177.2 | -155.3 | 173.5 | -67.4 | 149 | -0.5 | 106.7 | I451 R455 | I451-R453 PolarHBondContact O-N 3.09Å; R453-R455 PolarHBondContact O-N 3.13Å |
| 454 | S | 61.3 | Low | 60.8 | Low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | trans | -51.7 | 129.3 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | P452 T456 | P452-S454 VanDerWaalsContact C-N 3.3Å; P452-S454 PolarHBondContact O-N 3.28Å; S454-T456 PolarHBondContact O-N 3.16Å |
| 455 | R | 56.8 | Low | 58.6 | Low | 254 Ų | 254 | 137.6 Ų | 137.6 | 96% | 0.958 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -71.7 | 73 | 171.9 | -72.2 | -174.4 | -165.5 | -115.7 | 3.5 | 109.2 | R453 | R453-R455 PolarHBondContact O-N 3.13Š|
| 456 | T | 47.9 | Very low | 56.4 | Low | 104 Ų | 104 | 136.8 Ų | 136.8 | 64% | 0.638 | 73% | 0.734 | S | S | * | * | | | trans | -139.8 | 115.7 | 166.6 | -49.3 | 0 | 0 | 0 | 0 | 105.7 | S454 G458 | S454-T456 PolarHBondContact O-N 3.16Å; T456-G458 PolarHBondContact O-N 3.46Å |
| 457 | P | 50.9 | Low | 54.2 | Low | 141 Ų | 141 | 134.4 Ų | 134.4 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | | | trans | -69.3 | 87.6 | 169.7 | -8.7 | 24.9 | 0 | 0 | 0 | 107.3 | | |
| 458 | G | 41.8 | Very low | 52.2 | Low | 47 Ų | 47 | 138.1 Ų | 138.1 | 49% | 0.485 | 76% | 0.761 | S | S | . | * | | | trans | -106.6 | 145 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T456 W460 | T456-G458 PolarHBondContact O-N 3.46Å; G458-W460 PolarHBondContact O-N 3.37Å |
| 459 | P | 44.5 | Very low | 50.1 | Low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -64.3 | 130.4 | -165.7 | 26.8 | -32.7 | 0 | 0 | 0 | 110.7 | L461 | P459-L461 PolarHBondContact O-N 3.48Å; P459-L461 VanDerWaalsContact O-N 3.14Å |
| 460 | W | 48.3 | Very low | 48.9 | Very low | 246 Ų | 246 | 139.2 Ų | 139.2 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | | | trans | -51.9 | 117.4 | 161.3 | -69.9 | 83.7 | 0 | 0 | 0 | 107.9 | G458 | G458-W460 PolarHBondContact O-N 3.37Š|
| 461 | L | 52.4 | Low | 48.1 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -176.2 | 145.2 | 144.9 | -96.4 | -177.9 | 0 | 0 | 0 | 112.3 | P459 | P459-L461 PolarHBondContact O-N 3.48Å; P459-L461 VanDerWaalsContact O-N 3.14Å |
| 462 | Q | 37.7 | Very low | 47 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 86.4 | 98.6 | 165.2 | -56.4 | -68.2 | 15.9 | 0 | 0 | 119.1 | | |
| 463 | A | 42.5 | Very low | 46.1 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -79 | 152 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 464 | E | 37.8 | Very low | 45.5 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | 77 | 110.5 | 160.4 | -122.3 | -166.4 | 125 | 0 | 0 | 120 | | |
| 465 | A | 38.2 | Very low | 44.9 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -152.5 | 95.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 466 | V | 38.4 | Very low | 44.5 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -119.1 | 125.7 | 144.8 | 153.6 | 0 | 0 | 0 | 0 | 105.3 | | |
| 467 | G | 36.9 | Very low | 44.4 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -80.4 | 167 | -157.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 468 | Q | 38.3 | Very low | 44.1 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | | | trans | -175.7 | 123.4 | 133.7 | -105 | 177.4 | -10.6 | 0 | 0 | 107.6 | | |
| 469 | S | 32.5 | Very low | 44.5 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | | 157.2 | 120 | 125.7 | -164.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 470 | S | 49.2 | Very low | 44.6 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | trans | -62.1 | 160.3 | 157 | -174 | 0 | 0 | 0 | 0 | 109.5 | | |
| 471 | D | 48.5 | Very low | 44.5 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | 88.7 | 125.9 | 162.3 | -64.7 | -78.4 | 0 | 0 | 0 | 119.7 | | |
| 472 | D | 49 | Very low | 44.3 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | 73.6 | 88.4 | 151.3 | -117.1 | -73 | 0 | 0 | 0 | 120.1 | | |
| 473 | I | 49.3 | Very low | 44.9 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | | -144.1 | 85.6 | 123 | -49.8 | 86.6 | 0 | 0 | 0 | 109.1 | | |
| 474 | K | 52.4 | Low | 45.2 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | trans | -81.2 | 115.9 | 159.8 | -164.4 | -177.9 | -174 | -164.2 | 0 | 107.7 | | |
| 475 | G | 49.3 | Very low | 45.6 | Very low | 49 Ų | 49 | 140.7 Ų | 140.7 | 51% | 0.505 | 78% | 0.783 | S | S | . | * | | | trans | 123.7 | 103.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 476 | R | 49 | Very low | 46 | Very low | 238 Ų | 238 | 150.7 Ų | 150.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | | 167.1 | 78.5 | 113.1 | -86.5 | 177.5 | -144.1 | 128.5 | 2.7 | 108.1 | S478 | R476-S478 PolarHBondContact O-N 2.91Š|
| 477 | N | 44.7 | Very low | 46.4 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -78.8 | 96.3 | 150.7 | -174.2 | -43.3 | 0 | 0 | 0 | 106 | | |
| 478 | S | 46.2 | Very low | 46.9 | Very low | 97 Ų | 97 | 155.9 Ų | 155.9 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -117.4 | 96 | 162.4 | 55.5 | 0 | 0 | 0 | 0 | 107.4 | R476 L480 | R476-S478 PolarHBondContact O-N 2.91Å; S478-L480 PolarHBondContact O-N 3.36Å |
| 479 | Q | 49.8 | Very low | 47.3 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -49.2 | 127.6 | 158.8 | -64.5 | -177.1 | 2.9 | 0 | 0 | 109.8 | | |
| 480 | L | 46 | Very low | 48.2 | Very low | 162 Ų | 162 | 155.6 Ų | 155.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -137.5 | 104.6 | 148.8 | -73.7 | 177.5 | 0 | 0 | 0 | 108.1 | S478 | S478-L480 PolarHBondContact O-N 3.36Š|
| 481 | S | 46.6 | Very low | 48.1 | Very low | 98 Ų | 98 | 159.7 Ų | 159.7 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | | | trans | -81 | 116.8 | 162.3 | -62.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 482 | L | 47.3 | Very low | 48.1 | Very low | 170 Ų | 170 | 161 Ų | 161 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -122.8 | 123.2 | 160.1 | -76.3 | 175.2 | 0 | 0 | 0 | 109.9 | | |
| 483 | K | 50.8 | Low | 48.1 | Very low | 182 Ų | 182 | 163 Ų | 163 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | trans | -93.1 | 156.1 | -171.5 | -59.1 | 149.1 | 171 | 172.1 | 0 | 108.6 | | |
| 484 | T | 48.9 | Very low | 48 | Very low | 130 Ų | 130 | 162.8 Ų | 162.8 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | | | trans | 86.7 | 106 | 144 | -52.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 485 | L | 45.8 | Very low | 47.6 | Very low | 160 Ų | 160 | 159.1 Ų | 159.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | -30.7 | 124.4 | 139.8 | -171 | 78.4 | 0 | 0 | 0 | 115.5 | | |
| 486 | R | 46.7 | Very low | 47.4 | Very low | 314 Ų | 314 | 169.1 Ų | 169.1 | 100% | 1.185 | 83% | 0.832 | S | S | * | * | | | | -159.6 | 0 | 121.3 | -109.1 | -165.4 | -145.6 | 152.5 | 6.6 | 110.9 | | |