| 1 | M | 56.1 | Low | 70.9 | Confident | 222 Ų | 222 | 128.2 Ų | 128.2 | 100% | 1.094 | 66% | 0.66 | S | S | * | * | | | | 0 | 76.4 | 0 | -56.8 | -168.5 | 90.7 | 0 | 0 | 110.9 | | |
| 2 | R | 58.8 | Low | 71.5 | Confident | 234 Ų | 234 | 126.3 Ų | 126.3 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | | | trans | -130.9 | 3.9 | -178.9 | -73 | -174.9 | 171.3 | 158.3 | -2.4 | 114.8 | P5 | R2-P5 WeakPolarHBondContact O-CD 3.47Š|
| 3 | G | 59.6 | Low | 71.5 | Confident | 52 Ų | 52 | 125.6 Ų | 125.6 | 54% | 0.536 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -93.9 | -16.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | P5 | G3-P5 VanDerWaalsContact C-CD 3.41Š|
| 4 | L | 61.3 | Low | 71.5 | Confident | 136 Ų | 136 | 122.1 Ų | 122.1 | 71% | 0.712 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.9 | -33.7 | -179.9 | -85.8 | 104.4 | 0 | 0 | 0 | 116.2 | L6 W8 | L4-L6 PolarHBondContact O-N 3.48Å; L4-W8 PolarHBondContact O-N 3.47Å |
| 5 | P | 71.1 | Confident | 71 | Confident | 82 Ų | 82 | 121.5 Ų | 121.5 | 53% | 0.532 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.9 | -29.3 | -174.5 | 28.3 | -33.4 | 0 | 0 | 0 | 112.6 | R2 G3 L9 | R2-P5 WeakPolarHBondContact O-CD 3.47Å; G3-P5 VanDerWaalsContact C-CD 3.41Å; P5-L9 WeakPolarHBondContact O-CB 3.09Å; P5-L9 PolarHBondContact O-N 3.47Å |
| 6 | L | 73 | Confident | 70.4 | Confident | 118 Ų | 118 | 121.5 Ų | 121.5 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.9 | -42.1 | -179.3 | -95.3 | 137.4 | 0 | 0 | 0 | 112.2 | L4 W8 L9 C10 | L4-L6 PolarHBondContact O-N 3.48Å; L6-W8 VanDerWaalsContact C-N 3.32Å; L6-W8 PolarHBondContact O-N 3.46Å; L6-L9 PolarHBondContact O-N 3.08Å; L6-C10 WeakPolarHBondContact O-CB 3.48Å; L6-C10 PolarHBondContact O-N 3.26Å; L6-C10 PolarHBondContact O-SG 2.97Å |
| 7 | V | 81.1 | Confident | 69.6 | Low | 96 Ų | 96 | 118.9 Ų | 118.9 | 58% | 0.582 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.4 | -40.3 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | C10 L11 | V7-C10 PolarHBondContact O-N 3.36Å; V7-L11 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-N 3.08Å |
| 8 | W | 81.8 | Confident | 68.8 | Low | 184 Ų | 184 | 119.9 Ų | 119.9 | 70% | 0.697 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.5 | -38.7 | 178.6 | -163.9 | 10.9 | 0 | 0 | 0 | 112.4 | L4 L6 C10 L11 L12 | L4-W8 PolarHBondContact O-N 3.47Å; L6-W8 VanDerWaalsContact C-N 3.32Å; L6-W8 PolarHBondContact O-N 3.46Å; W8-C10 VanDerWaalsContact C-N 3.35Å; W8-C10 PolarHBondContact O-N 3.41Å; W8-L11 PolarHBondContact O-N 3.04Å; W8-L12 PolarHBondContact O-N 3.25Å |
| 9 | L | 79.9 | Confident | 68 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66 | -37.9 | 176.8 | -153.2 | 128.5 | 0 | 0 | 0 | 111.7 | P5 L6 L12 L13 | P5-L9 WeakPolarHBondContact O-CB 3.09Å; P5-L9 PolarHBondContact O-N 3.47Å; L6-L9 PolarHBondContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 3.04Å; L9-L13 HydrophobicContact CD2-CD1 4.41Å; L9-L13 PolarHBondContact O-N 3.5Å; L9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | C | 77.6 | Confident | 67.3 | Low | 75 Ų | 75 | 121.6 Ų | 121.6 | 51% | 0.507 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.9 | -38.3 | 172.9 | -71.9 | 0 | 0 | 0 | 0 | 112.8 | L6 V7 W8 S14 | L6-C10 WeakPolarHBondContact O-CB 3.48Å; L6-C10 PolarHBondContact O-N 3.26Å; L6-C10 PolarHBondContact O-SG 2.97Å; V7-C10 PolarHBondContact O-N 3.36Å; W8-C10 VanDerWaalsContact C-N 3.35Å; W8-C10 PolarHBondContact O-N 3.41Å; C10-S14 WeakPolarHBondContact O-CB 3.45Å; C10-S14 PolarHBondContact O-N 3.27Å; C10-S14 VanDerWaalsContact O-N 3.16Å; C10-S14 PolarHBondContact O-OG 3.4Å |
| 11 | L | 79.6 | Confident | 66.5 | Low | 100 Ų | 100 | 123.7 Ų | 123.7 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.5 | -45.6 | 176.3 | -112 | 149 | 0 | 0 | 0 | 111.4 | V7 W8 L13 S14 L15 | V7-L11 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-N 3.08Å; W8-L11 PolarHBondContact O-N 3.04Å; L11-L13 PolarHBondContact O-N 3.19Å; L11-S14 PolarHBondContact O-N 3.46Å; L11-L15 HydrophobicContact CD2-CD1 4.15Å; L11-L15 WeakPolarHBondContact O-CD1 3.14Å; L11-L15 PolarHBondContact O-N 3.33Å |
| 12 | L | 78.1 | Confident | 66.4 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 177.9 | -73.5 | 166.1 | 0 | 0 | 0 | 112.7 | W8 L9 S14 L15 | W8-L12 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 3.04Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 2.78Å; L12-L15 PolarHBondContact O-N 3.16Å |
| 13 | L | 71.5 | Confident | 66.1 | Low | 117 Ų | 117 | 115.3 Ų | 115.3 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.5 | -28.9 | 176.2 | -106.2 | 74 | 0 | 0 | 0 | 113.1 | L9 L11 P17 | L9-L13 HydrophobicContact CD2-CD1 4.41Å; L9-L13 PolarHBondContact O-N 3.5Å; L9-L13 VanDerWaalsContact O-N 3.11Å; L11-L13 PolarHBondContact O-N 3.19Å; L13-P17 WeakPolarHBondContact O-CD 3.32Å |
| 14 | S | 72.3 | Confident | 65.5 | Low | 76 Ų | 76 | 115.9 Ų | 115.9 | 53% | 0.531 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78.5 | -21.5 | -178.9 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | C10 L11 L12 P17 | C10-S14 WeakPolarHBondContact O-CB 3.45Å; C10-S14 PolarHBondContact O-N 3.27Å; C10-S14 VanDerWaalsContact O-N 3.16Å; C10-S14 PolarHBondContact O-OG 3.4Å; L11-S14 PolarHBondContact O-N 3.46Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 2.78Å; S14-P17 WeakPolarHBondContact O-CD 3.5Å |
| 15 | L | 63 | Low | 64.9 | Low | 113 Ų | 113 | 116.8 Ų | 116.8 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -83.2 | -25.4 | 174.4 | -85.6 | 83.4 | 0 | 0 | 0 | 113 | L11 L12 | L11-L15 HydrophobicContact CD2-CD1 4.15Å; L11-L15 WeakPolarHBondContact O-CD1 3.14Å; L11-L15 PolarHBondContact O-N 3.33Å; L12-L15 PolarHBondContact O-N 3.16Å |
| 16 | L | 61.9 | Low | 63.9 | Low | 122 Ų | 122 | 123.7 Ų | 123.7 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -37.3 | -178.6 | -141.7 | 72.1 | 0 | 0 | 0 | 116.1 | L18 | L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.11Å |
| 17 | P | 57.1 | Low | 62.9 | Low | 78 Ų | 78 | 124.3 Ų | 124.3 | 51% | 0.506 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -78.9 | -12.1 | -176.8 | 27.5 | -33.4 | 0 | 0 | 0 | 114.6 | L13 S14 E19 | L13-P17 WeakPolarHBondContact O-CD 3.32Å; S14-P17 WeakPolarHBondContact O-CD 3.5Å; P17-E19 VanDerWaalsContact C-N 3.29Å; P17-E19 PolarHBondContact O-N 3.39Å |
| 18 | L | 54.5 | Low | 61 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.8 | -24.7 | 178.4 | -86 | 145.9 | 0 | 0 | 0 | 112.6 | L16 | L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.11Å |
| 19 | E | 53.2 | Low | 59.5 | Low | 144 Ų | 144 | 130.9 Ų | 130.9 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.5 | -30.4 | -177.1 | -147.1 | 176.8 | 140 | 0 | 0 | 112.8 | P17 S22 | P17-E19 VanDerWaalsContact C-N 3.29Å; P17-E19 PolarHBondContact O-N 3.39Å; E19-S22 PolarHBondContact O-OG 3.44Å |
| 20 | I | 55.4 | Low | 57.8 | Low | 129 Ų | 129 | 134.4 Ų | 134.4 | 66% | 0.662 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -84 | -27.8 | -169.7 | -58.9 | 160.2 | 0 | 0 | 0 | 112.4 | S22 R23 | I20-S22 PolarHBondContact O-N 3.41Å; I20-R23 PolarHBondContact O-N 3.46Å |
| 21 | Q | 50.7 | Low | 56 | Low | 165 Ų | 165 | 142.2 Ų | 142.2 | 77% | 0.771 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -22.4 | -179.3 | -149.3 | 178.7 | 94.2 | 0 | 0 | 112.7 | R23 | Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 2.97Å |
| 22 | S | 52.6 | Low | 54.4 | Low | 78 Ų | 78 | 146.3 Ų | 146.3 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -22.6 | -179.3 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | E19 I20 | E19-S22 PolarHBondContact O-OG 3.44Å; I20-S22 PolarHBondContact O-N 3.41Å |
| 23 | R | 52.2 | Low | 52.6 | Low | 203 Ų | 203 | 145 Ų | 145 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -20.1 | -178.1 | -66.7 | -173.9 | 176.8 | 176.6 | 1 | 113.9 | I20 Q21 | I20-R23 PolarHBondContact O-N 3.46Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 2.97Å |
| 24 | G | 47.9 | Very low | 51.5 | Low | 64 Ų | 64 | 147 Ų | 147 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -79 | -16.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R26 | G24-R26 VanDerWaalsContact C-N 3.34Å; G24-R26 PolarHBondContact O-N 2.84Å |
| 25 | L | 49.4 | Very low | 50.3 | Low | 155 Ų | 155 | 149.2 Ų | 149.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -81 | -2.9 | -174.8 | -99.4 | 160.3 | 0 | 0 | 0 | 115.1 | | |
| 26 | R | 50 | Low | 49.8 | Very low | 227 Ų | 227 | 153.3 Ų | 153.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -92.8 | -7.4 | -171.9 | -68.8 | -165.7 | -163.8 | -167 | 5.2 | 116.7 | G24 | G24-R26 VanDerWaalsContact C-N 3.34Å; G24-R26 PolarHBondContact O-N 2.84Å |
| 27 | V | 51.2 | Low | 48.8 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -113.2 | -15.7 | -163.3 | -177.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 28 | H | 41.7 | Very low | 48.3 | Very low | 190 Ų | 190 | 158.1 Ų | 158.1 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | | | trans | -107.8 | 58.7 | -164.7 | -157.8 | 68.3 | 0 | 0 | 0 | 116.1 | | |
| 29 | R | 50 | Low | 47.3 | Very low | 228 Ų | 228 | 161.8 Ų | 161.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -138 | 20.3 | -179.7 | -123.1 | -172.1 | -175.6 | 168.5 | 2.9 | 121.1 | | |
| 30 | H | 44.3 | Very low | 46.8 | Very low | 185 Ų | 185 | 158.2 Ų | 158.2 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -140.1 | 111.9 | 166.1 | -49.2 | -70.6 | 0 | 0 | 0 | 106.2 | | |
| 31 | R | 39.1 | Very low | 46 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | | -172.6 | 135.8 | 54 | -88.1 | 173.3 | 156.3 | -169 | -4.9 | 106.7 | | |
| 32 | L | 47.3 | Very low | 45.6 | Very low | 186 Ų | 186 | 159.5 Ų | 159.5 | 97% | 0.974 | 80% | 0.795 | S | S | * | * | | | trans | -131.2 | 130.6 | 169.3 | -128.4 | 162 | 0 | 0 | 0 | 106.8 | | |
| 33 | G | 39.7 | Very low | 45.4 | Very low | 77 Ų | 77 | 161.9 Ų | 161.9 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | 141.3 | 96.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 34 | E | 47.5 | Very low | 44.8 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -117.1 | 155.3 | 142 | -145 | -142.6 | -155.8 | 0 | 0 | 106.6 | | |
| 35 | P | 46.9 | Very low | 44.3 | Very low | 122 Ų | 122 | 161.8 Ų | 161.8 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | | | | -154.9 | 134.8 | 114.2 | 33.3 | -12.4 | 0 | 0 | 0 | 118.1 | | |
| 36 | R | 53.4 | Low | 44.7 | Very low | 199 Ų | 199 | 159.9 Ų | 159.9 | 75% | 0.751 | 81% | 0.814 | S | S | * | * | | | trans | 11.3 | 142.1 | 142.3 | -62.9 | -177.6 | -177.8 | 160.3 | -0.5 | 123.3 | | |
| 37 | I | 40.1 | Very low | 44.5 | Very low | 175 Ų | 175 | 155.2 Ų | 155.2 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | trans | -139 | 136.3 | 138.9 | -57.8 | -177.5 | 0 | 0 | 0 | 109.9 | | |
| 38 | N | 47.6 | Very low | 43.6 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | | | trans | -108.3 | 146.8 | -173.2 | -26.3 | -37.2 | 0 | 0 | 0 | 110.8 | | |
| 39 | K | 34.1 | Very low | 43.3 | Very low | 214 Ų | 214 | 150.4 Ų | 150.4 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | | | | 179.2 | 135.1 | 125.9 | -137.3 | 164.6 | 179.7 | 174 | 0 | 112.3 | | |
| 40 | A | 42.7 | Very low | 42.7 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 57% | 0.57 | 81% | 0.805 | S | S | * | * | | | trans | -103 | 143.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y42 | A40-Y42 HydrophobicContact CB-CE2 4.34Š|
| 41 | S | 38.8 | Very low | 42.1 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -156 | 115.9 | 162.1 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 42 | Y | 41.3 | Very low | 42.2 | Very low | 200 Ų | 200 | 138 Ų | 138 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -105.7 | 152.1 | 172.2 | -29.1 | -91.8 | 0 | 0 | 0 | 108.7 | A40 | A40-Y42 HydrophobicContact CB-CE2 4.34Š|
| 43 | P | 48.8 | Very low | 41.5 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | | -141.4 | 161.8 | 124.6 | 30.8 | -12.8 | 0 | 0 | 0 | 114.7 | | |
| 44 | N | 40 | Very low | 41.1 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -78.8 | 141.5 | -169.3 | -62.4 | -40.8 | 0 | 0 | 0 | 115.5 | | |
| 45 | S | 37 | Very low | 40.3 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 64.8 | 152 | 142 | 55.6 | 0 | 0 | 0 | 0 | 124.3 | | |
| 46 | P | 57.3 | Low | 39.7 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -113.3 | -174.2 | -156.6 | 45.6 | -31.4 | 0 | 0 | 0 | 114.1 | | |
| 47 | P | 45.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | | -145.3 | 153 | 80.2 | 34.2 | -13.9 | 0 | 0 | 0 | 116.1 | | |
| 48 | G | 33.4 | Very low | 38.8 | Very low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -94.1 | 155.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 49 | V | 34.8 | Very low | 38.2 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -71.7 | 143 | -178.1 | -72.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 50 | S | 36.6 | Very low | 38.3 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | 30 | 119.9 | 149.4 | -72.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 51 | D | 32.8 | Very low | 38.2 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | | 77.7 | 105.3 | 121.2 | -53.8 | -37.8 | 0 | 0 | 0 | 123 | | |
| 52 | L | 40.7 | Very low | 37.9 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | | 48.5 | 110.8 | 125 | -67.2 | 157.4 | 0 | 0 | 0 | 121 | | |
| 53 | S | 32.3 | Very low | 37.5 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | 173 | 111.3 | 126.2 | -80.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 54 | A | 32.3 | Very low | 36.9 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | | 75.2 | 128.4 | 81.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 55 | A | 29.9 | Very low | 37.4 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 84.9 | 100.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 56 | S | 33.9 | Very low | 38.1 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | | 43.9 | 115.3 | 119.7 | -179.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 57 | S | 33.4 | Very low | 37.9 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | | 179.1 | 141 | 115.7 | -165.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 58 | N | 41.1 | Very low | 38.1 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | -69.4 | 148.2 | 179.7 | -56.8 | -54.5 | 0 | 0 | 0 | 112.1 | | |
| 59 | Q | 35.4 | Very low | 38.5 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | 167.4 | 122.1 | 131.7 | -90.3 | 153.9 | 89.3 | 0 | 0 | 112.1 | | |
| 60 | T | 36.5 | Very low | 38.9 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | -112.1 | 156.7 | 142 | 49.2 | 0 | 0 | 0 | 0 | 105.3 | | |
| 61 | P | 41.7 | Very low | 39.5 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | cis | -142.4 | -170.1 | 31.4 | 38.4 | -16.2 | 0 | 0 | 0 | 115.1 | | |
| 62 | Q | 31.8 | Very low | 40.3 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 114.6 | 125.4 | 139.8 | -121.6 | -166.3 | -36.1 | 0 | 0 | 119 | | |
| 63 | E | 33.4 | Very low | 40.7 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | | | trans | 73.5 | 114.5 | 152.3 | -41.5 | -155 | 137.1 | 0 | 0 | 118.9 | | |
| 64 | D | 35.1 | Very low | 41.3 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | | -157.4 | 122.6 | 108.1 | -102.5 | -27.3 | 0 | 0 | 0 | 112.4 | | |
| 65 | T | 50.9 | Low | 41.7 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | | | trans | -86.5 | 155.9 | 175 | -61.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 66 | Q | 51.2 | Low | 42.3 | Very low | 154 Ų | 154 | 150 Ų | 150 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | trans | 114.7 | 103.6 | 151.1 | -58.3 | 171.6 | 34.3 | 0 | 0 | 115.1 | | |
| 67 | H | 53.6 | Low | 42.8 | Very low | 206 Ų | 206 | 150.4 Ų | 150.4 | 95% | 0.954 | 81% | 0.809 | S | S | * | * | | | trans | -135 | 96.6 | 145.2 | -66.6 | -53.9 | 0 | 0 | 0 | 110.6 | | |
| 68 | T | 48.5 | Very low | 43 | Very low | 129 Ų | 129 | 150 Ų | 150 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66 | 123.4 | 172.5 | -55.4 | 0 | 0 | 0 | 0 | 111 | R70 | T68-R70 PolarHBondContact O-N 3.35Š|
| 69 | G | 41.6 | Very low | 43.4 | Very low | 79 Ų | 79 | 148.6 Ų | 148.6 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 120.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 70 | R | 43.6 | Very low | 43.6 | Very low | 243 Ų | 243 | 148.4 Ų | 148.4 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 122.7 | 176.8 | -160.8 | 175.2 | -172.2 | 159.4 | 1.6 | 109.5 | T68 | T68-R70 PolarHBondContact O-N 3.35Š|
| 71 | A | 50.3 | Low | 43.7 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 135 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 72 | P | 49.8 | Very low | 43.9 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120 | 168.5 | -17 | 32.8 | 0 | 0 | 0 | 112 | | |
| 73 | L | 49.5 | Very low | 44.3 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 126.4 | 167.4 | -155.4 | 84.5 | 0 | 0 | 0 | 108.8 | | |
| 74 | H | 44.9 | Very low | 44.6 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | trans | -112.6 | 128.8 | 166.5 | -175.6 | -85.5 | 0 | 0 | 0 | 109.8 | | |
| 75 | R | 39.3 | Very low | 44.9 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -69.8 | 149.6 | -164.7 | -87.1 | -164 | 167.3 | -168.4 | -1.4 | 116.2 | | |
| 76 | D | 43.5 | Very low | 44.5 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -73.2 | 157.9 | 156.4 | -58.9 | -59.8 | 0 | 0 | 0 | 112.2 | | |
| 77 | P | 43.9 | Very low | 43.8 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | -152.3 | 131.9 | 97.7 | 35.6 | -16.6 | 0 | 0 | 0 | 115.7 | | |
| 78 | S | 37 | Very low | 42.9 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | trans | -173 | 85.7 | 135.9 | -162.4 | 0 | 0 | 0 | 0 | 108.9 | K80 | S78-K80 PolarHBondContact O-N 3.37Š|
| 79 | S | 49.7 | Very low | 42.5 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | | 42.9 | 58.3 | 86.7 | 78.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 80 | K | 40.4 | Very low | 42.4 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | | | trans | -134.7 | 112.3 | 150.5 | -86.7 | -162.3 | 175.3 | 179.4 | 0 | 112.1 | S78 | S78-K80 PolarHBondContact O-N 3.37Š|
| 81 | L | 38 | Very low | 42.1 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | trans | 69 | 70.2 | 149 | -75.9 | 94.6 | 0 | 0 | 0 | 116.6 | D83 | L81-D83 HydrophobicContact CB-CB 3.99Å; L81-D83 HydrophobicContact CD2-CB 3.74Å; L81-D83 HydrophobicContact CG-CB 3.8Å; L81-D83 PolarHBondContact O-N 3.48Å |
| 82 | S | 45.3 | Very low | 41.5 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -60.9 | 33.3 | 136 | -57.2 | 0 | 0 | 0 | 0 | 113.1 | L85 | S82-L85 WeakPolarHBondContact O-CG 3.49Š|
| 83 | D | 41.9 | Very low | 41 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | | | trans | -115 | 13.5 | -168.3 | -80.9 | -22.5 | 0 | 0 | 0 | 114.1 | L81 | L81-D83 HydrophobicContact CB-CB 3.99Å; L81-D83 HydrophobicContact CD2-CB 3.74Å; L81-D83 HydrophobicContact CG-CB 3.8Å; L81-D83 PolarHBondContact O-N 3.48Å |
| 84 | M | 38.8 | Very low | 40.8 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -113.2 | 40 | 157 | -145.3 | 177.4 | -62.7 | 0 | 0 | 111.1 | L86 | M84-L86 PolarHBondContact O-N 3.32Š|
| 85 | L | 42.2 | Very low | 40.6 | Very low | 116 Ų | 116 | 140 Ų | 140 | 61% | 0.607 | 78% | 0.78 | S | S | * | * | | | trans | -24.4 | 128.1 | 139.6 | -80.7 | -172.8 | 0 | 0 | 0 | 112.5 | S82 | S82-L85 WeakPolarHBondContact O-CG 3.49Š|
| 86 | L | 41.2 | Very low | 40.7 | Very low | 141 Ų | 141 | 138 Ų | 138 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 77.6 | 121.1 | 136.5 | -56.8 | 166.5 | 0 | 0 | 0 | 115.9 | M84 | M84-L86 PolarHBondContact O-N 3.32Š|
| 87 | R | 36.1 | Very low | 40.6 | Very low | 251 Ų | 251 | 139 Ų | 139 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | | | | 81.8 | 97.9 | 127.1 | -165.3 | -177.3 | -137.4 | -95 | 0.3 | 115.8 | | |
| 88 | G | 36.4 | Very low | 40.5 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | 174.9 | 104.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 89 | N | 38.7 | Very low | 40.7 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -63.6 | 163.7 | 178.6 | -173.6 | 34.5 | 0 | 0 | 0 | 114.7 | | |
| 90 | S | 39.4 | Very low | 40.6 | Very low | 78 Ų | 78 | 147.4 Ų | 147.4 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | | | trans | 103.9 | 111.8 | 147.5 | -22 | 0 | 0 | 0 | 0 | 119.7 | | |
| 91 | N | 37.6 | Very low | 40.9 | Very low | 161 Ų | 161 | 150 Ų | 150 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | 59.2 | 109.4 | 140.7 | -50.1 | -32.2 | 0 | 0 | 0 | 120.7 | | |
| 92 | A | 37.2 | Very low | 41.8 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | | 176.4 | 126 | 129.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 93 | L | 39.6 | Very low | 42.5 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -89.7 | -179.3 | 159.2 | -59.3 | -153.8 | 0 | 0 | 0 | 109.1 | | |
| 94 | P | 45.3 | Very low | 43.4 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | | -125.1 | 147.8 | -56.2 | 33 | -18.5 | 0 | 0 | 0 | 110.4 | | |
| 95 | V | 40.8 | Very low | 44.3 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -139 | 137.6 | 169.7 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 96 | E | 41 | Very low | 45.2 | Very low | 178 Ų | 178 | 156 Ų | 156 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | -47.9 | 155.8 | -167.1 | -72.6 | 176.6 | 114.6 | 0 | 0 | 119.1 | V98 | E96-V98 PolarHBondContact O-N 3.3Š|
| 97 | Q | 42.5 | Very low | 46.1 | Very low | 172 Ų | 172 | 160.5 Ų | 160.5 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | | | trans | -54.5 | 119.3 | 167.9 | -62.3 | 172.3 | -64.1 | 0 | 0 | 112.4 | | |
| 98 | V | 41.7 | Very low | 46.9 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 72% | 0.715 | 83% | 0.831 | S | S | * | * | | | trans | -123 | 94.9 | 165.1 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | E96 Q100 | E96-V98 PolarHBondContact O-N 3.3Å; V98-Q100 PolarHBondContact O-N 3.06Å |
| 99 | W | 40.2 | Very low | 47.8 | Very low | 223 Ų | 223 | 158.3 Ų | 158.3 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | | | trans | -73.9 | 110 | 170.9 | -73 | 91.2 | 0 | 0 | 0 | 109.5 | | |
| 100 | Q | 48.3 | Very low | 48.7 | Very low | 172 Ų | 172 | 158.7 Ų | 158.7 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | trans | -65.3 | 142.1 | 175.5 | -77 | -73.4 | 12.7 | 0 | 0 | 112.3 | V98 | V98-Q100 PolarHBondContact O-N 3.06Š|
| 101 | R | 47.1 | Very low | 49.3 | Very low | 237 Ų | 237 | 160.5 Ų | 160.5 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | | | trans | -96.5 | 114.6 | -166.9 | -174.2 | 179.1 | -139 | -174 | 5.5 | 111.6 | | |
| 102 | G | 56.4 | Low | 50 | Low | 76 Ų | 76 | 156.2 Ų | 156.2 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | | | trans | 70.5 | 115.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 103 | S | 59.7 | Low | 50.7 | Low | 128 Ų | 128 | 157 Ų | 157 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | | | trans | -117.6 | 120.4 | 148.2 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 104 | R | 61 | Low | 51.5 | Low | 246 Ų | 246 | 153.9 Ų | 153.9 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | | | trans | -91.3 | 114.6 | -174.7 | -79.5 | 174.8 | 167.3 | 172.7 | -4 | 110.3 | | |
| 105 | G | 57.8 | Low | 51.8 | Low | 82 Ų | 82 | 160 Ų | 160 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 142.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 106 | R | 60.6 | Low | 52.6 | Low | 248 Ų | 248 | 156 Ų | 156 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 161.4 | -158.7 | -168.9 | 172.6 | 175.9 | 169.1 | -3.7 | 115.2 | | |
| 107 | R | 60.6 | Low | 53.1 | Low | 236 Ų | 236 | 156.3 Ų | 156.3 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.4 | -161.9 | -52.9 | 173.6 | -160.3 | -131.9 | 2.8 | 114.5 | | |
| 108 | H | 52.6 | Low | 53.5 | Low | 188 Ų | 188 | 151.4 Ų | 151.4 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.1 | 177.3 | -56.4 | -79.6 | 0 | 0 | 0 | 113.7 | | |
| 109 | A | 56.6 | Low | 54.4 | Low | 99 Ų | 99 | 154.5 Ų | 154.5 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | trans | -91.4 | 110.1 | 154 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 110 | N | 55.9 | Low | 55 | Low | 163 Ų | 163 | 151.3 Ų | 151.3 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | | | trans | -101.1 | 94.4 | 176.3 | -152.7 | 36.2 | 0 | 0 | 0 | 107.8 | | |
| 111 | S | 53.2 | Low | 55.2 | Low | 117 Ų | 117 | 150.6 Ų | 150.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -103.4 | 118.6 | 172 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 112 | G | 51 | Low | 55.8 | Low | 70 Ų | 70 | 151.9 Ų | 151.9 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | | | trans | 114.7 | 71.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 113 | S | 51.9 | Low | 56.1 | Low | 115 Ų | 115 | 153.9 Ų | 153.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | | 69.1 | 112.2 | 77 | -163.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 114 | S | 56.6 | Low | 55.7 | Low | 102 Ų | 102 | 150.6 Ų | 150.6 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | 78.1 | 120 | 146.4 | -153.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 115 | R | 52.4 | Low | 55.5 | Low | 240 Ų | 240 | 141.1 Ų | 141.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | | -157.6 | 131.6 | 60.3 | -73.6 | 166.2 | 177.5 | -165.1 | -4.4 | 112.5 | | |
| 116 | G | 57.5 | Low | 55.5 | Low | 67 Ų | 67 | 143.9 Ų | 143.9 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | S | Bend | | 121.7 | -16.9 | 119.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 117 | H | 51.8 | Low | 55.3 | Low | 183 Ų | 183 | 139.6 Ų | 139.6 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -121.2 | 82.5 | 163.9 | -73 | -27.1 | 0 | 0 | 0 | 107.7 | H119 | H117-H119 VanDerWaalsContact C-N 3.3Å; H117-H119 PolarHBondContact O-N 3.42Å |
| 118 | G | 51.1 | Low | 55.2 | Low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | -48.1 | 109.3 | 159 | 0 | 0 | 0 | 0 | 0 | 105.8 | L120 | G118-L120 PolarHBondContact O-N 3.4Š|
| 119 | H | 59.3 | Low | 55.5 | Low | 183 Ų | 183 | 125.5 Ų | 125.5 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | | | trans | -54.4 | 89.8 | 153.6 | -83.5 | -99.9 | 0 | 0 | 0 | 103.9 | H117 M121 | H117-H119 VanDerWaalsContact C-N 3.3Å; H117-H119 PolarHBondContact O-N 3.42Å; H119-M121 PolarHBondContact O-N 2.58Å |
| 120 | L | 54.6 | Low | 55.7 | Low | 157 Ų | 157 | 123.8 Ų | 123.8 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | | | trans | -46.5 | 120.5 | 162.8 | -80.6 | 163.3 | 0 | 0 | 0 | 102.4 | G118 | G118-L120 PolarHBondContact O-N 3.4Š|
| 121 | M | 50.9 | Low | 55.8 | Low | 157 Ų | 157 | 123.8 Ų | 123.8 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | | | trans | -34.5 | 153.1 | 173.1 | -64.3 | -72 | -163.4 | 0 | 0 | 108.9 | H119 V123 | H119-M121 PolarHBondContact O-N 2.58Å; M121-V123 HydrophobicContact CB-CG2 4.25Å; M121-V123 WeakPolarHBondContact O-CG2 2.85Å; M121-V123 PolarHBondContact O-N 2.03Å |
| 122 | R | 60.4 | Low | 56.2 | Low | 264 Ų | 264 | 123.3 Ų | 123.3 | 100% | 0.996 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -53.7 | 89.9 | 161.1 | -74.9 | -179 | -157 | 176 | 5.2 | 108.8 | | |
| 123 | V | 61.7 | Low | 56.9 | Low | 118 Ų | 118 | 126.4 Ų | 126.4 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | | | trans | -126.2 | 98.9 | 166.3 | -94.4 | 0 | 0 | 0 | 0 | 103.6 | M121 | M121-V123 HydrophobicContact CB-CG2 4.25Å; M121-V123 WeakPolarHBondContact O-CG2 2.85Å; M121-V123 PolarHBondContact O-N 2.03Å |
| 124 | G | 52.9 | Low | 57.3 | Low | 58 Ų | 58 | 126.4 Ų | 126.4 | 60% | 0.598 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 100.1 | 75.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 125 | C | 56.6 | Low | 57.9 | Low | 48 Ų | 48 | 126.3 Ų | 126.3 | 32% | 0.324 | 69% | 0.69 | S | S | . | * | | | | -137 | 59.8 | 122.7 | -75 | 0 | 0 | 0 | 0 | 108.4 | L127 G128 C130 | C125-L127 PolarHBondContact O-N 3.31Å; C125-G128 PolarHBondContact O-N 2.97Å; C125-C130 HydrophobicContact CB-CB 4.38Å; C125-C130 WeakPolarHBondContact CB-SG 2.98Å; C125-C130 VanDerWaalsContact SG-CA 3.53Å; C125-C130 WeakPolarHBondContact SG-CB 3.14Å; C125-C130 PolarHBondContact SG-N 3.08Å; C125-C130 CovalentContact SG-SG 2.03Å; C125-C130 PolarHBondContact SG-SG 3.39Å |
| 126 | V | 57.7 | Low | 58.6 | Low | 140 Ų | 140 | 118 Ų | 118 | 85% | 0.848 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -14.6 | 171 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 127 | L | 56.6 | Low | 59.2 | Low | 158 Ų | 158 | 120.4 Ų | 120.4 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 20.5 | 177.8 | -59.7 | 173.5 | 0 | 0 | 0 | 115.1 | C125 T129 | C125-L127 PolarHBondContact O-N 3.31Å; L127-T129 PolarHBondContact O-N 3.09Å |
| 128 | G | 57.1 | Low | 59.8 | Low | 46 Ų | 46 | 119.2 Ų | 119.2 | 47% | 0.474 | 65% | 0.65 | S | S | . | * | S | Bend | trans | 77.4 | 12.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | C125 | C125-G128 PolarHBondContact O-N 2.97Š|
| 129 | T | 60.3 | Low | 60.8 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -10.9 | -170.9 | 52.2 | 0 | 0 | 0 | 0 | 116.9 | L127 Q131 | L127-T129 PolarHBondContact O-N 3.09Å; T129-Q131 VanDerWaalsContact C-N 3.28Å; T129-Q131 PolarHBondContact O-N 3.16Å |
| 130 | C | 59.7 | Low | 61.3 | Low | 64 Ų | 64 | 119.7 Ų | 119.7 | 43% | 0.432 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -77.4 | -10.1 | 179.6 | 37.2 | 0 | 0 | 0 | 0 | 113.9 | C125 N134 | C125-C130 HydrophobicContact CB-CB 4.38Å; C125-C130 WeakPolarHBondContact CB-SG 2.98Å; C125-C130 VanDerWaalsContact SG-CA 3.53Å; C125-C130 WeakPolarHBondContact SG-CB 3.14Å; C125-C130 PolarHBondContact SG-N 3.08Å; C125-C130 CovalentContact SG-SG 2.03Å; C125-C130 PolarHBondContact SG-SG 3.39Å; C130-N134 WeakPolarHBondContact O-CB 3.23Å; C130-N134 PolarHBondContact O-N 3.46Å |
| 131 | Q | 58.5 | Low | 62.1 | Low | 162 Ų | 162 | 116.6 Ų | 116.6 | 76% | 0.757 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.9 | -44.6 | 173.5 | -70.7 | -176.1 | -0.2 | 0 | 0 | 111.1 | T129 L135 | T129-Q131 VanDerWaalsContact C-N 3.28Å; T129-Q131 PolarHBondContact O-N 3.16Å; Q131-L135 VanDerWaalsContact O-CB 3.23Å; Q131-L135 WeakPolarHBondContact O-CB 3.15Å; Q131-L135 PolarHBondContact O-N 3.4Å; Q131-L135 VanDerWaalsContact O-N 3.09Å |
| 132 | V | 62.2 | Low | 62.9 | Low | 107 Ų | 107 | 113 Ų | 113 | 65% | 0.648 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.7 | -40.8 | -178.3 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | L135 S136 | V132-L135 PolarHBondContact O-N 2.83Å; V132-S136 WeakPolarHBondContact O-CB 3.39Å; V132-S136 PolarHBondContact O-N 3.41Å; V132-S136 PolarHBondContact O-OG 2.9Å |
| 133 | Q | 64.5 | Low | 63.3 | Low | 135 Ų | 135 | 106.1 Ų | 106.1 | 63% | 0.631 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.7 | -34.4 | -178.1 | -65.9 | 179.6 | 11.9 | 0 | 0 | 112.9 | S136 H137 | Q133-S136 PolarHBondContact O-OG 3.17Å; Q133-H137 PolarHBondContact O-N 3.25Å |
| 134 | N | 60.8 | Low | 63.4 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.4 | -38.4 | 175.2 | -165.8 | -15.7 | 0 | 0 | 0 | 110.9 | C130 R138 | C130-N134 WeakPolarHBondContact O-CB 3.23Å; C130-N134 PolarHBondContact O-N 3.46Å; N134-R138 WeakPolarHBondContact O-CB 3.35Å; N134-R138 PolarHBondContact O-N 2.91Å; N134-R138 VanDerWaalsContact O-N 3.16Å |
| 135 | L | 69.4 | Low | 63.7 | Low | 100 Ų | 100 | 107.1 Ų | 107.1 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.2 | -42.2 | 177.4 | -174.8 | 65.4 | 0 | 0 | 0 | 112.6 | Q131 V132 R138 L139 | Q131-L135 VanDerWaalsContact O-CB 3.23Å; Q131-L135 WeakPolarHBondContact O-CB 3.15Å; Q131-L135 PolarHBondContact O-N 3.4Å; Q131-L135 VanDerWaalsContact O-N 3.09Å; V132-L135 PolarHBondContact O-N 2.83Å; L135-R138 PolarHBondContact O-N 3.19Å; L135-L139 HydrophobicContact CD1-CD1 4.19Å; L135-L139 HydrophobicContact CD1-CG 4.23Å; L135-L139 HydrophobicContact CD2-CD1 4.39Å; L135-L139 HydrophobicContact CG-CD1 3.85Å; L135-L139 HydrophobicContact CG-CG 4.31Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 3.11Å |
| 136 | S | 67.6 | Low | 63.6 | Low | 66 Ų | 66 | 110.4 Ų | 110.4 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.6 | -42.5 | -178.8 | 64 | 0 | 0 | 0 | 0 | 112.2 | V132 Q133 R138 L139 Y140 | V132-S136 WeakPolarHBondContact O-CB 3.39Å; V132-S136 PolarHBondContact O-N 3.41Å; V132-S136 PolarHBondContact O-OG 2.9Å; Q133-S136 PolarHBondContact O-OG 3.17Å; S136-R138 VanDerWaalsContact C-N 3.35Å; S136-L139 PolarHBondContact O-N 3.43Å; S136-Y140 WeakPolarHBondContact O-CB 3.41Å; S136-Y140 PolarHBondContact O-N 3.29Å |
| 137 | H | 68.6 | Low | 63.5 | Low | 117 Ų | 117 | 107 Ų | 107 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.4 | -38.6 | 176.5 | -176.8 | -119.9 | 0 | 0 | 0 | 111.7 | Q133 Y140 Q141 | Q133-H137 PolarHBondContact O-N 3.25Å; H137-Y140 PolarHBondContact O-N 2.87Å; H137-Q141 PolarHBondContact CE1-NE2 3.29Å; H137-Q141 PolarHBondContact ND1-NE2 2.68Å; H137-Q141 VanDerWaalsContact ND1-NE2 3.19Å; H137-Q141 PolarHBondContact NE2-NE2 2.83Å; H137-Q141 WeakPolarHBondContact O-CG 3.29Å; H137-Q141 PolarHBondContact O-N 2.95Å; H137-Q141 VanDerWaalsContact O-N 3.11Å |
| 138 | R | 66.2 | Low | 63.6 | Low | 159 Ų | 159 | 106.6 Ų | 106.6 | 60% | 0.6 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.8 | -40.5 | 175.8 | -168.4 | 176.9 | -177.8 | -159.9 | -0.8 | 112.4 | N134 L135 S136 Q141 L142 | N134-R138 WeakPolarHBondContact O-CB 3.35Å; N134-R138 PolarHBondContact O-N 2.91Å; N134-R138 VanDerWaalsContact O-N 3.16Å; L135-R138 PolarHBondContact O-N 3.19Å; S136-R138 VanDerWaalsContact C-N 3.35Å; R138-Q141 PolarHBondContact O-N 3.49Å; R138-L142 HydrophobicContact CG-CD1 4.06Å; R138-L142 WeakPolarHBondContact O-CB 3.4Å; R138-L142 VanDerWaalsContact O-CG 3.29Å; R138-L142 WeakPolarHBondContact O-CG 3.37Å; R138-L142 PolarHBondContact O-N 3.42Å |
| 139 | L | 71.4 | Confident | 63.5 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 41% | 0.408 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.9 | -40.7 | 176 | -77.3 | 171.8 | 0 | 0 | 0 | 111.5 | L135 S136 Q141 L142 I143 | L135-L139 HydrophobicContact CD1-CD1 4.19Å; L135-L139 HydrophobicContact CD1-CG 4.23Å; L135-L139 HydrophobicContact CD2-CD1 4.39Å; L135-L139 HydrophobicContact CG-CD1 3.85Å; L135-L139 HydrophobicContact CG-CG 4.31Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 3.11Å; S136-L139 PolarHBondContact O-N 3.43Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.25Å; L139-L142 PolarHBondContact O-N 2.97Å; L139-I143 HydrophobicContact CB-CD1 4.33Å; L139-I143 VanDerWaalsContact O-CB 3.3Å; L139-I143 WeakPolarHBondContact O-CB 3.46Å; L139-I143 WeakPolarHBondContact O-CD1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.17Å; L139-I143 PolarHBondContact O-N 2.8Å |
| 140 | Y | 70.3 | Confident | 63.1 | Low | 183 Ų | 183 | 115.3 Ų | 115.3 | 72% | 0.718 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.1 | -42.2 | 174.7 | -176.5 | -102.6 | 0 | 0 | 0 | 112.1 | S136 H137 G144 | S136-Y140 WeakPolarHBondContact O-CB 3.41Å; S136-Y140 PolarHBondContact O-N 3.29Å; H137-Y140 PolarHBondContact O-N 2.87Å; Y140-G144 PolarHBondContact O-N 2.78Å |
| 141 | Q | 71.5 | Confident | 62.8 | Low | 92 Ų | 92 | 116.9 Ų | 116.9 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.5 | -44.1 | 174.1 | -71.4 | 177.1 | 27.4 | 0 | 0 | 112.8 | H137 R138 L139 G144 Q145 | H137-Q141 PolarHBondContact CE1-NE2 3.29Å; H137-Q141 PolarHBondContact ND1-NE2 2.68Å; H137-Q141 VanDerWaalsContact ND1-NE2 3.19Å; H137-Q141 PolarHBondContact NE2-NE2 2.83Å; H137-Q141 WeakPolarHBondContact O-CG 3.29Å; H137-Q141 PolarHBondContact O-N 2.95Å; H137-Q141 VanDerWaalsContact O-N 3.11Å; R138-Q141 PolarHBondContact O-N 3.49Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 3.25Å; Q141-G144 PolarHBondContact O-N 2.99Å; Q141-Q145 WeakPolarHBondContact O-CB 3.29Å; Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.44Å; Q141-Q145 PolarHBondContact O-N 3.45Å |
| 142 | L | 67.3 | Low | 62.7 | Low | 83 Ų | 83 | 113.1 Ų | 113.1 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.5 | -40.4 | -179 | -73.7 | 169.4 | 0 | 0 | 0 | 111.9 | R138 L139 G144 Q145 N146 | R138-L142 HydrophobicContact CG-CD1 4.06Å; R138-L142 WeakPolarHBondContact O-CB 3.4Å; R138-L142 VanDerWaalsContact O-CG 3.29Å; R138-L142 WeakPolarHBondContact O-CG 3.37Å; R138-L142 PolarHBondContact O-N 3.42Å; L139-L142 PolarHBondContact O-N 2.97Å; L142-G144 VanDerWaalsContact C-N 3.34Å; L142-Q145 PolarHBondContact O-N 3.5Å; L142-N146 WeakPolarHBondContact O-CB 3.14Å; L142-N146 PolarHBondContact O-N 3.36Å |
| 143 | I | 68.7 | Low | 62.6 | Low | 119 Ų | 119 | 113.6 Ų | 113.6 | 61% | 0.61 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.3 | -36.3 | 176.6 | -66.1 | 163.3 | 0 | 0 | 0 | 110.4 | L139 Q145 N146 | L139-I143 HydrophobicContact CB-CD1 4.33Å; L139-I143 VanDerWaalsContact O-CB 3.3Å; L139-I143 WeakPolarHBondContact O-CB 3.46Å; L139-I143 WeakPolarHBondContact O-CD1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.17Å; L139-I143 PolarHBondContact O-N 2.8Å; I143-Q145 VanDerWaalsContact C-N 3.31Å; I143-Q145 PolarHBondContact O-N 3.23Å; I143-N146 PolarHBondContact O-N 3.34Å |
| 144 | G | 63.5 | Low | 62.3 | Low | 59 Ų | 59 | 113.2 Ų | 113.2 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.9 | -27.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y140 Q141 L142 | Y140-G144 PolarHBondContact O-N 2.78Å; Q141-G144 PolarHBondContact O-N 2.99Å; L142-G144 VanDerWaalsContact C-N 3.34Å |
| 145 | Q | 59 | Low | 62.3 | Low | 137 Ų | 137 | 111.6 Ų | 111.6 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -85.8 | -33.2 | 174 | -73.6 | -178.6 | 1.5 | 0 | 0 | 113 | Q141 L142 I143 G147 R148 | Q141-Q145 WeakPolarHBondContact O-CB 3.29Å; Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.44Å; Q141-Q145 PolarHBondContact O-N 3.45Å; L142-Q145 PolarHBondContact O-N 3.5Å; I143-Q145 VanDerWaalsContact C-N 3.31Å; I143-Q145 PolarHBondContact O-N 3.23Å; Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.48Å; Q145-R148 PolarHBondContact O-N 3.5Å |
| 146 | N | 54.5 | Low | 61.9 | Low | 118 Ų | 118 | 113.1 Ų | 113.1 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.2 | -12.2 | -175.9 | -166.3 | 51.6 | 0 | 0 | 0 | 113.8 | L142 I143 E149 | L142-N146 WeakPolarHBondContact O-CB 3.14Å; L142-N146 PolarHBondContact O-N 3.36Å; I143-N146 PolarHBondContact O-N 3.34Å; N146-E149 WeakPolarHBondContact O-CG 3.5Å |
| 147 | G | 56.8 | Low | 61.6 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 3.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q145 | Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.48Å |
| 148 | R | 57.2 | Low | 60.8 | Low | 150 Ų | 150 | 117.7 Ų | 117.7 | 57% | 0.566 | 61% | 0.61 | S | S | * | * | | | trans | -120.1 | 64.9 | -178.3 | -122.7 | -174.1 | 159.7 | -120.2 | -0.5 | 108.7 | Q145 D150 F151 | Q145-R148 PolarHBondContact O-N 3.5Å; R148-D150 PolarHBondContact O-N 3.2Å; R148-F151 HydrophobicContact CB-CD2 4.18Å; R148-F151 HydrophobicContact CG-CD2 3.53Å; R148-F151 HydrophobicContact CG-CE2 3.71Å; R148-F151 VanDerWaalsContact NE-CE2 3.27Å; R148-F151 VanDerWaalsContact NH1-CD1 3.29Å; R148-F151 VanDerWaalsContact NH2-CE1 3.28Å; R148-F151 VanDerWaalsContact NH2-CE2 3.35Å |
| 149 | E | 55 | Low | 60.8 | Low | 162 Ų | 162 | 116 Ų | 116 | 76% | 0.757 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -2.6 | -170.8 | -51.6 | -167.4 | -162 | 0 | 0 | 114.3 | N146 | N146-E149 WeakPolarHBondContact O-CG 3.5Š|
| 150 | D | 52.7 | Low | 60 | Low | 148 Ų | 148 | 119.9 Ų | 119.9 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 4.1 | -176.1 | -59.8 | -42.9 | 0 | 0 | 0 | 115.2 | R148 | R148-D150 PolarHBondContact O-N 3.2Š|
| 151 | F | 52.4 | Low | 59.4 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -102.2 | 112.7 | 175.8 | -62.1 | -89.3 | 0 | 0 | 0 | 109.1 | R148 G163 | R148-F151 HydrophobicContact CB-CD2 4.18Å; R148-F151 HydrophobicContact CG-CD2 3.53Å; R148-F151 HydrophobicContact CG-CE2 3.71Å; R148-F151 VanDerWaalsContact NE-CE2 3.27Å; R148-F151 VanDerWaalsContact NH1-CD1 3.29Å; R148-F151 VanDerWaalsContact NH2-CE1 3.28Å; R148-F151 VanDerWaalsContact NH2-CE2 3.35Å; F151-G163 WeakPolarHBondContact CA-OXT 3.31Å; F151-G163 VanDerWaalsContact CD1-O 3.31Å; F151-G163 WeakPolarHBondContact CD1-O 3.22Å |
| 152 | S | 57.2 | Low | 58.9 | Low | 82 Ų | 82 | 118 Ų | 118 | 57% | 0.573 | 63% | 0.629 | S | S | * | * | | | trans | -50.3 | 130.3 | 178.1 | -129.9 | 0 | 0 | 0 | 0 | 109.4 | I154 G163 | S152-I154 PolarHBondContact O-N 3.16Å; S152-I154 VanDerWaalsContact O-N 3.15Å; S152-G163 WeakPolarHBondContact CB-OXT 3.4Å; S152-G163 PolarHBondContact N-OXT 3.09Å; S152-G163 WeakPolarHBondContact O-CA 2.93Å |
| 153 | P | 59.7 | Low | 58.4 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 76% | 0.76 | 63% | 0.63 | S | S | * | * | | | trans | -51.6 | 126.7 | -179.6 | -25.6 | 32.2 | 0 | 0 | 0 | 110.7 | N155 | P153-N155 PolarHBondContact O-N 3.04Š|
| 154 | I | 59.4 | Low | 57.9 | Low | 127 Ų | 127 | 116 Ų | 116 | 65% | 0.651 | 63% | 0.631 | S | S | * | * | | | trans | -50.8 | 112.3 | 178.7 | -89.2 | 171.1 | 0 | 0 | 0 | 108.5 | S152 P156 | S152-I154 PolarHBondContact O-N 3.16Å; S152-I154 VanDerWaalsContact O-N 3.15Å; I154-P156 WeakPolarHBondContact O-CD 3.36Å |
| 155 | N | 59.4 | Low | 57.6 | Low | 81 Ų | 81 | 119 Ų | 119 | 43% | 0.433 | 63% | 0.633 | S | S | . | * | | | trans | -80.7 | 110.1 | 179.7 | -178.6 | -13.7 | 0 | 0 | 0 | 108.2 | P153 R157 S158 S161 | P153-N155 PolarHBondContact O-N 3.04Å; N155-R157 PolarHBondContact O-N 3Å; N155-R157 WeakPolarHBondContact OD1-CB 3.39Å; N155-R157 PolarHBondContact OD1-N 2.93Å; N155-S158 PolarHBondContact O-N 3.15Å; N155-S158 VanDerWaalsContact O-N 3.16Å; N155-S161 PolarHBondContact N-OG 2.95Å |
| 156 | P | 61.4 | Low | 57.6 | Low | 132 Ų | 132 | 118 Ų | 118 | 86% | 0.857 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 0 | -175.2 | 30.8 | -36.7 | 0 | 0 | 0 | 113.7 | I154 | I154-P156 WeakPolarHBondContact O-CD 3.36Š|
| 157 | R | 62.1 | Low | 57.7 | Low | 227 Ų | 227 | 118 Ų | 118 | 86% | 0.857 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -2.7 | 178.4 | -156 | 171.4 | -179.6 | -179.4 | -2.4 | 113.5 | N155 | N155-R157 PolarHBondContact O-N 3Å; N155-R157 WeakPolarHBondContact OD1-CB 3.39Å; N155-R157 PolarHBondContact OD1-N 2.93Å |
| 158 | S | 51.1 | Low | 57.8 | Low | 53 Ų | 53 | 121.2 Ų | 121.2 | 37% | 0.371 | 63% | 0.629 | S | S | . | * | | | trans | -124.1 | 120.1 | 179 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | N155 H160 S161 | N155-S158 PolarHBondContact O-N 3.15Å; N155-S158 VanDerWaalsContact O-N 3.16Å; S158-H160 PolarHBondContact O-N 2.7Å; S158-H160 VanDerWaalsContact O-N 3.1Å; S158-H160 PolarHBondContact OG-N 3.32Å; S158-S161 PolarHBondContact O-N 3.1Å |
| 159 | P | 66.4 | Low | 57.8 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -7 | 177.4 | 27.4 | -33 | 0 | 0 | 0 | 113.8 | | |
| 160 | H | 55.4 | Low | 58.1 | Low | 160 Ų | 160 | 116.2 Ų | 116.2 | 74% | 0.741 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 15.8 | 178.9 | -70 | 171.3 | 0 | 0 | 0 | 114 | S158 Y162 | S158-H160 PolarHBondContact O-N 2.7Å; S158-H160 VanDerWaalsContact O-N 3.1Å; S158-H160 PolarHBondContact OG-N 3.32Å; H160-Y162 PolarHBondContact O-N 3.47Å; H160-Y162 VanDerWaalsContact O-N 3.09Å |
| 161 | S | 57.3 | Low | 58.5 | Low | 32 Ų | 32 | 113.8 Ų | 113.8 | 22% | 0.224 | 61% | 0.611 | C | S | . | * | | | trans | -81.9 | 84.9 | 173.6 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | N155 S158 | N155-S161 PolarHBondContact N-OG 2.95Å; S158-S161 PolarHBondContact O-N 3.1Å |
| 162 | Y | 60 | Low | 59 | Low | 204 Ų | 204 | 115.1 Ų | 115.1 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | | | trans | -88.5 | 110 | 155.8 | -62.8 | -87.7 | 0 | 0 | 0 | 104.6 | H160 | H160-Y162 PolarHBondContact O-N 3.47Å; H160-Y162 VanDerWaalsContact O-N 3.09Å |
| 163 | G | 58.2 | Low | 59.1 | Low | 44 Ų | 44 | 118.1 Ų | 118.1 | 45% | 0.454 | 63% | 0.631 | S | S | . | * | | | trans | -43.7 | 0 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F151 S152 | F151-G163 WeakPolarHBondContact CA-OXT 3.31Å; F151-G163 VanDerWaalsContact CD1-O 3.31Å; F151-G163 WeakPolarHBondContact CD1-O 3.22Å; S152-G163 WeakPolarHBondContact CB-OXT 3.4Å; S152-G163 PolarHBondContact N-OXT 3.09Å; S152-G163 WeakPolarHBondContact O-CA 2.93Å |