| 1 | M | 42.4 | Very low | 41.4 | Very low | 238 Ų | 238 | 151.8 Ų | 151.8 | 100% | 1.172 | 77% | 0.772 | S | S | * | * | | | | 0 | 85.1 | 0 | -72.9 | 178.9 | 174.1 | 0 | 0 | 105.1 | | |
| 2 | Q | 35 | Very low | 41.1 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | | 89 | 135.3 | 94.2 | -123 | -179.9 | -0.5 | 0 | 0 | 109.6 | | |
| 3 | Q | 35.4 | Very low | 41.2 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | | | trans | 78.1 | 128 | 170.5 | -100.8 | 86 | 15.8 | 0 | 0 | 116.6 | | |
| 4 | E | 49.3 | Very low | 40.9 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 62% | 0.621 | 76% | 0.764 | S | S | * | * | | | cis | -172.5 | 116.8 | 4.4 | -139.2 | 154 | -153.8 | 0 | 0 | 106.5 | I6 | E4-I6 HydrophobicContact CB-CD1 4.07Å; E4-I6 HydrophobicContact CB-CG1 4Å; E4-I6 HydrophobicContact CG-CD1 4.14Å; E4-I6 HydrophobicContact CG-CG1 4.07Å; E4-I6 PolarHBondContact O-N 3.09Å; E4-I6 VanDerWaalsContact O-N 3.1Å |
| 5 | D | 39.3 | Very low | 40.7 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 95% | 0.947 | 77% | 0.765 | S | S | * | * | | | trans | -73.8 | 95.7 | 170.8 | -81 | -45.6 | 0 | 0 | 0 | 108.2 | | |
| 6 | I | 49.1 | Very low | 40.9 | Very low | 117 Ų | 117 | 149 Ų | 149 | 60% | 0.6 | 77% | 0.769 | S | S | * | * | | | trans | -103.7 | 100.5 | 179.4 | -64.3 | 180 | 0 | 0 | 0 | 109.1 | E4 | E4-I6 HydrophobicContact CB-CD1 4.07Å; E4-I6 HydrophobicContact CB-CG1 4Å; E4-I6 HydrophobicContact CG-CD1 4.14Å; E4-I6 HydrophobicContact CG-CG1 4.07Å; E4-I6 PolarHBondContact O-N 3.09Å; E4-I6 VanDerWaalsContact O-N 3.1Å |
| 7 | I | 43.1 | Very low | 40.8 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | trans | 68.7 | 92.2 | 134.8 | -53.7 | 174 | 0 | 0 | 0 | 115.8 | Q9 | I7-Q9 HydrophobicContact CG2-CG 4.33Å; I7-Q9 PolarHBondContact O-N 3.25Å; I7-Q9 VanDerWaalsContact O-N 3.12Å |
| 8 | S | 33.9 | Very low | 40.6 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -55.5 | 104.3 | 146 | -66.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 9 | Q | 41.9 | Very low | 40.9 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -94.4 | 134.5 | 163.8 | -120.5 | -173.2 | -78.2 | 0 | 0 | 108.8 | I7 | I7-Q9 HydrophobicContact CG2-CG 4.33Å; I7-Q9 PolarHBondContact O-N 3.25Å; I7-Q9 VanDerWaalsContact O-N 3.12Å |
| 10 | E | 46.3 | Very low | 40.8 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | 87 | 63.6 | 159 | -63.7 | 159.2 | 102.5 | 0 | 0 | 115.7 | I12 | E10-I12 PolarHBondContact O-N 3.47Š|
| 11 | D | 39.5 | Very low | 41.1 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | | 15.8 | 94.3 | 111.4 | -75.6 | -41.4 | 0 | 0 | 0 | 115 | I13 | D11-I13 PolarHBondContact O-N 3.16Š|
| 12 | I | 37.7 | Very low | 41.1 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | 35.4 | 66.3 | 109.1 | -46.3 | 178.5 | 0 | 0 | 0 | 113.1 | E10 S14 | E10-I12 PolarHBondContact O-N 3.47Å; I12-S14 VanDerWaalsContact C-N 3.28Å; I12-S14 PolarHBondContact O-N 3.44Å; I12-S14 VanDerWaalsContact O-N 3.15Å |
| 13 | I | 42.8 | Very low | 41.4 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -81.7 | 88.8 | 156.1 | -60.7 | -179.4 | 0 | 0 | 0 | 106.8 | D11 | D11-I13 PolarHBondContact O-N 3.16Š|
| 14 | S | 36.9 | Very low | 41.8 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | | | trans | -57.5 | 141.9 | 171.4 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | I12 K16 | I12-S14 VanDerWaalsContact C-N 3.28Å; I12-S14 PolarHBondContact O-N 3.44Å; I12-S14 VanDerWaalsContact O-N 3.15Å; S14-K16 PolarHBondContact O-N 3.48Å |
| 15 | P | 37.9 | Very low | 41.8 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -80 | 113.3 | 177.3 | 32.5 | -29.1 | 0 | 0 | 0 | 109 | | |
| 16 | K | 43.7 | Very low | 42.6 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | -110.6 | 96.6 | 167.6 | -85.8 | -172.3 | 175 | -179.6 | 0 | 110.2 | S14 | S14-K16 PolarHBondContact O-N 3.48Š|
| 17 | E | 39.4 | Very low | 42.3 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | | 26 | 124.9 | 126.6 | -116.9 | -178 | 127.7 | 0 | 0 | 118.2 | | |
| 18 | S | 37.5 | Very low | 42.4 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | 63.7 | 94.9 | 135.8 | 58.7 | 0 | 0 | 0 | 0 | 119 | | |
| 19 | A | 45.8 | Very low | 43 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -157.6 | 78.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E21 | A19-E21 PolarHBondContact O-N 3.45Š|
| 20 | M | 39.4 | Very low | 42.8 | Very low | 201 Ų | 201 | 151 Ų | 151 | 99% | 0.99 | 80% | 0.802 | S | S | * | * | | | trans | -74.2 | 78.6 | 162.2 | -163 | 178.7 | -144.4 | 0 | 0 | 106.9 | | |
| 21 | E | 46.9 | Very low | 42.7 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | | | trans | -84.1 | 137.5 | 174.8 | -170.1 | 153.5 | 103.9 | 0 | 0 | 110.4 | A19 | A19-E21 PolarHBondContact O-N 3.45Š|
| 22 | K | 42.6 | Very low | 42.9 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | -58.9 | 134.1 | -163 | -75.4 | 164.1 | 171.6 | 174.1 | 0 | 114.2 | | |
| 23 | V | 41.7 | Very low | 43.6 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | | 2.7 | 113.9 | 125.6 | -175.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 24 | D | 43 | Very low | 43.6 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -166.5 | 89.3 | 134.7 | -86.1 | -36.2 | 0 | 0 | 0 | 108.9 | | |
| 25 | L | 50.1 | Low | 44.3 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | | | trans | -78.1 | 124.7 | 167.8 | -93 | 151.2 | 0 | 0 | 0 | 108.6 | Y27 | L25-Y27 PolarHBondContact O-N 3.44Š|
| 26 | P | 56.7 | Low | 45.1 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -71.8 | 107.8 | 176.3 | 28.5 | -31.3 | 0 | 0 | 0 | 109.5 | S28 | P26-S28 VanDerWaalsContact C-N 3.29Å; P26-S28 PolarHBondContact O-N 3.22Å |
| 27 | Y | 41 | Very low | 45.7 | Very low | 218 Ų | 218 | 154.7 Ų | 154.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | -64 | 84.6 | 164.4 | -148.8 | -87 | 0 | 0 | 0 | 108.7 | L25 | L25-Y27 PolarHBondContact O-N 3.44Š|
| 28 | S | 45 | Very low | 47 | Very low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -164.1 | 91.7 | 172.8 | -83.3 | 0 | 0 | 0 | 0 | 113 | P26 | P26-S28 VanDerWaalsContact C-N 3.29Å; P26-S28 PolarHBondContact O-N 3.22Å |
| 29 | S | 47.3 | Very low | 48.5 | Very low | 116 Ų | 116 | 154.6 Ų | 154.6 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | | 155.4 | 99.7 | 118.4 | 59.6 | 0 | 0 | 0 | 0 | 109.1 | G31 | S29-G31 PolarHBondContact O-N 3.16Š|
| 30 | F | 38.6 | Very low | 50 | Low | 205 Ų | 205 | 154.4 Ų | 154.4 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | | | trans | -60 | 84.1 | 162.3 | -112.5 | -103.1 | 0 | 0 | 0 | 108.5 | A32 | F30-A32 PolarHBondContact O-N 3.4Š|
| 31 | G | 43.9 | Very low | 52.1 | Low | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | | | trans | -80.5 | 87.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | S29 T33 | S29-G31 PolarHBondContact O-N 3.16Å; G31-T33 PolarHBondContact O-N 3.3Å |
| 32 | A | 43 | Very low | 54.1 | Low | 96 Ų | 96 | 145.9 Ų | 145.9 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | | | trans | -53.9 | 91 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F30 | F30-A32 PolarHBondContact O-N 3.4Š|
| 33 | T | 52.5 | Low | 56.3 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | | | trans | -107.3 | 110.9 | 155.1 | 38.8 | 0 | 0 | 0 | 0 | 107.3 | G31 R35 | G31-T33 PolarHBondContact O-N 3.3Å; T33-R35 PolarHBondContact O-N 3.39Å |
| 34 | R | 43.9 | Very low | 58.7 | Low | 247 Ų | 247 | 137.1 Ų | 137.1 | 93% | 0.932 | 74% | 0.741 | S | S | * | * | | | trans | -56.2 | 77.6 | 175.5 | -167.4 | -173.3 | -160.9 | -165.1 | 6 | 110 | K36 | R34-K36 PolarHBondContact O-N 3.04Š|
| 35 | R | 51.2 | Low | 60.9 | Low | 226 Ų | 226 | 134.6 Ų | 134.6 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | | | trans | -71.3 | 110.2 | 166.6 | -74.4 | -166.1 | -170.9 | -169.8 | 3.5 | 106.5 | T33 N37 | T33-R35 PolarHBondContact O-N 3.39Å; R35-N37 PolarHBondContact O-N 3.42Å |
| 36 | K | 54.5 | Low | 63 | Low | 175 Ų | 175 | 129.1 Ų | 129.1 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | | | trans | -49.2 | 130.5 | 165.3 | -70.9 | 174.4 | 179.2 | 174.8 | 0 | 106.3 | R34 E38 | R34-K36 PolarHBondContact O-N 3.04Å; K36-E38 HydrophobicContact CB-CG 4.37Å; K36-E38 PolarHBondContact O-N 3.34Å |
| 37 | N | 56.7 | Low | 64.8 | Low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | | | trans | -67.8 | 75 | 175.2 | -145.5 | 24.6 | 0 | 0 | 0 | 106.7 | R35 T39 | R35-N37 PolarHBondContact O-N 3.42Å; N37-T39 VanDerWaalsContact C-N 3.31Å; N37-T39 PolarHBondContact O-N 3.3Å |
| 38 | E | 64.9 | Low | 67.3 | Low | 159 Ų | 159 | 123.5 Ų | 123.5 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | | | trans | -70.3 | 97.5 | 172 | -73.7 | -179.7 | 146.9 | 0 | 0 | 105.1 | K36 V40 | K36-E38 HydrophobicContact CB-CG 4.37Å; K36-E38 PolarHBondContact O-N 3.34Å; E38-V40 PolarHBondContact O-N 3.44Å |
| 39 | T | 70.6 | Confident | 69.7 | Low | 118 Ų | 118 | 121.6 Ų | 121.6 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | | | trans | -52.6 | 104.7 | 165.3 | 44.7 | 0 | 0 | 0 | 0 | 106.6 | N37 D41 | N37-T39 VanDerWaalsContact C-N 3.31Å; N37-T39 PolarHBondContact O-N 3.3Å; T39-D41 PolarHBondContact O-N 3.29Å; T39-D41 VanDerWaalsContact O-N 3.1Å |
| 40 | V | 76.3 | Confident | 72 | Confident | 88 Ų | 88 | 119 Ų | 119 | 53% | 0.533 | 65% | 0.651 | S | S | . | * | | | trans | -58.5 | 119.1 | 175 | -176.5 | 0 | 0 | 0 | 0 | 106.5 | E38 V44 L45 | E38-V40 PolarHBondContact O-N 3.44Å; V40-V44 HydrophobicContact CG1-CB 4.18Å; V40-V44 HydrophobicContact CG1-CG1 4.21Å; V40-L45 HydrophobicContact CB-CD1 4.49Å; V40-L45 HydrophobicContact CB-CG 4.45Å; V40-L45 HydrophobicContact CG1-CD1 4.35Å; V40-L45 HydrophobicContact CG1-CD2 4.23Å; V40-L45 HydrophobicContact CG1-CG 3.81Å |
| 41 | D | 83.4 | Confident | 74.7 | Confident | 103 Ų | 103 | 113.7 Ų | 113.7 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | | | trans | -54.8 | 131.6 | 179.5 | -75 | -44.8 | 0 | 0 | 0 | 109.2 | T39 A43 V44 L45 | T39-D41 PolarHBondContact O-N 3.29Å; T39-D41 VanDerWaalsContact O-N 3.1Å; D41-A43 PolarHBondContact O-N 3.4Å; D41-V44 HydrophobicContact CB-CG2 4.07Å; D41-V44 WeakPolarHBondContact O-CA 3.47Å; D41-V44 WeakPolarHBondContact O-CB 3.48Å; D41-V44 PolarHBondContact O-N 3.29Å; D41-L45 PolarHBondContact O-N 3.24Å |
| 42 | P | 88.6 | Confident | 77.3 | Confident | 105 Ų | 105 | 116 Ų | 116 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58.3 | -25.8 | -179.4 | 23 | -33.4 | 0 | 0 | 0 | 112.1 | L45 A46 | P42-L45 PolarHBondContact O-N 3.05Å; P42-A46 WeakPolarHBondContact O-CB 3.49Å; P42-A46 PolarHBondContact O-N 3.02Å |
| 43 | A | 89.2 | Confident | 79.9 | Confident | 73 Ų | 73 | 115.9 Ų | 115.9 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.8 | -37.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D41 A46 A47 | D41-A43 PolarHBondContact O-N 3.4Å; A43-A46 PolarHBondContact O-N 2.81Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 2.95Å |
| 44 | V | 91.6 | Very high | 82 | Confident | 62 Ų | 62 | 113.5 Ų | 113.5 | 38% | 0.376 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.6 | -48 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | V40 D41 A46 A47 W48 | V40-V44 HydrophobicContact CG1-CB 4.18Å; V40-V44 HydrophobicContact CG1-CG1 4.21Å; D41-V44 HydrophobicContact CB-CG2 4.07Å; D41-V44 WeakPolarHBondContact O-CA 3.47Å; D41-V44 WeakPolarHBondContact O-CB 3.48Å; D41-V44 PolarHBondContact O-N 3.29Å; V44-A46 VanDerWaalsContact C-N 3.3Å; V44-A46 PolarHBondContact O-N 3.43Å; V44-A47 WeakPolarHBondContact O-CB 3.31Å; V44-A47 PolarHBondContact O-N 3.24Å; V44-A47 VanDerWaalsContact O-N 3.12Å; V44-W48 PolarHBondContact O-N 3.47Å |
| 45 | L | 90.9 | Very high | 84.5 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 55% | 0.55 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.7 | -41.8 | 175.2 | -73.4 | 169.6 | 0 | 0 | 0 | 112.3 | V40 D41 P42 W48 S49 | V40-L45 HydrophobicContact CB-CD1 4.49Å; V40-L45 HydrophobicContact CB-CG 4.45Å; V40-L45 HydrophobicContact CG1-CD1 4.35Å; V40-L45 HydrophobicContact CG1-CD2 4.23Å; V40-L45 HydrophobicContact CG1-CG 3.81Å; D41-L45 PolarHBondContact O-N 3.24Å; P42-L45 PolarHBondContact O-N 3.05Å; L45-W48 PolarHBondContact O-N 3.03Å; L45-S49 PolarHBondContact O-N 3.45Å |
| 46 | A | 92.7 | Very high | 86.7 | Confident | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.6 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | P42 A43 V44 W48 S49 A50 | P42-A46 WeakPolarHBondContact O-CB 3.49Å; P42-A46 PolarHBondContact O-N 3.02Å; A43-A46 PolarHBondContact O-N 2.81Å; V44-A46 VanDerWaalsContact C-N 3.3Å; V44-A46 PolarHBondContact O-N 3.43Å; A46-W48 PolarHBondContact O-N 2.95Å; A46-S49 PolarHBondContact O-N 2.99Å; A46-S49 PolarHBondContact O-OG 3.36Å; A46-A50 PolarHBondContact O-N 3.26Å |
| 47 | A | 94.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.3 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A43 V44 S49 A50 I51 | A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 2.95Å; V44-A47 WeakPolarHBondContact O-CB 3.31Å; V44-A47 PolarHBondContact O-N 3.24Å; V44-A47 VanDerWaalsContact O-N 3.12Å; A47-S49 PolarHBondContact O-N 3.2Å; A47-A50 PolarHBondContact O-N 2.93Å; A47-I51 VanDerWaalsContact O-CG1 3.28Å; A47-I51 WeakPolarHBondContact O-CG1 3.35Å; A47-I51 PolarHBondContact O-N 3.34Å |
| 48 | W | 94.5 | Very high | 90.6 | Very high | 165 Ų | 165 | 91.3 Ų | 91.3 | 63% | 0.625 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 175.5 | -77 | 99.8 | 0 | 0 | 0 | 112.2 | V44 L45 A46 A50 I51 L52 | V44-W48 PolarHBondContact O-N 3.47Å; L45-W48 PolarHBondContact O-N 3.03Å; A46-W48 PolarHBondContact O-N 2.95Å; W48-A50 VanDerWaalsContact C-N 3.35Å; W48-A50 PolarHBondContact O-N 3.24Å; W48-I51 PolarHBondContact O-N 3.17Å; W48-L52 WeakPolarHBondContact O-CG 3.35Å; W48-L52 PolarHBondContact O-N 3.46Å |
| 49 | S | 95.3 | Very high | 92.1 | Very high | 64 Ų | 64 | 87.1 Ų | 87.1 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 175.9 | 74 | 0 | 0 | 0 | 0 | 112.3 | L45 A46 A47 L52 V53 | L45-S49 PolarHBondContact O-N 3.45Å; A46-S49 PolarHBondContact O-N 2.99Å; A46-S49 PolarHBondContact O-OG 3.36Å; A47-S49 PolarHBondContact O-N 3.2Å; S49-L52 PolarHBondContact O-N 3.34Å; S49-V53 VanDerWaalsContact O-CG2 3.29Å; S49-V53 WeakPolarHBondContact O-CG2 3.38Å; S49-V53 PolarHBondContact O-N 3.29Å |
| 50 | A | 95.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 86.4 Ų | 86.4 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A46 A47 W48 V53 S54 | A46-A50 PolarHBondContact O-N 3.26Å; A47-A50 PolarHBondContact O-N 2.93Å; W48-A50 VanDerWaalsContact C-N 3.35Å; W48-A50 PolarHBondContact O-N 3.24Å; A50-V53 PolarHBondContact O-N 3.04Å; A50-S54 WeakPolarHBondContact O-CB 3.44Å; A50-S54 PolarHBondContact O-N 3.01Å |
| 51 | I | 95.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 85.1 Ų | 85.1 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 174.6 | -67.3 | 164.2 | 0 | 0 | 0 | 110.4 | A47 W48 V53 S54 V55 | A47-I51 VanDerWaalsContact O-CG1 3.28Å; A47-I51 WeakPolarHBondContact O-CG1 3.35Å; A47-I51 PolarHBondContact O-N 3.34Å; W48-I51 PolarHBondContact O-N 3.17Å; I51-V53 PolarHBondContact O-N 3.03Å; I51-S54 WeakPolarHBondContact O-CB 3.5Å; I51-S54 PolarHBondContact O-N 3.35Å; I51-V55 HydrophobicContact CG2-CG2 4.33Å; I51-V55 WeakPolarHBondContact O-CG2 3.46Å; I51-V55 PolarHBondContact O-N 3.43Å |
| 52 | L | 96.8 | Very high | 94.8 | Very high | 110 Ų | 110 | 83.4 Ų | 83.4 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -44 | 177.6 | -72.2 | 173.7 | 0 | 0 | 0 | 111.7 | W48 S49 S54 V55 C56 | W48-L52 WeakPolarHBondContact O-CG 3.35Å; W48-L52 PolarHBondContact O-N 3.46Å; S49-L52 PolarHBondContact O-N 3.34Å; L52-S54 PolarHBondContact O-N 3.15Å; L52-V55 PolarHBondContact O-N 3.46Å; L52-C56 WeakPolarHBondContact O-CB 3.26Å; L52-C56 PolarHBondContact O-N 3.27Å; L52-C56 PolarHBondContact O-SG 3.46Å |
| 53 | V | 97.2 | Very high | 95.1 | Very high | 94 Ų | 94 | 83.6 Ų | 83.6 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 175 | 173 | 0 | 0 | 0 | 0 | 110.8 | S49 A50 I51 V55 C56 V57 | S49-V53 VanDerWaalsContact O-CG2 3.29Å; S49-V53 WeakPolarHBondContact O-CG2 3.38Å; S49-V53 PolarHBondContact O-N 3.29Å; A50-V53 PolarHBondContact O-N 3.04Å; I51-V53 PolarHBondContact O-N 3.03Å; V53-V55 PolarHBondContact O-N 2.95Å; V53-C56 PolarHBondContact O-N 2.95Å; V53-V57 HydrophobicContact CG1-CG2 4.47Å; V53-V57 VanDerWaalsContact O-CG2 3.31Å; V53-V57 WeakPolarHBondContact O-CG2 3.49Å; V53-V57 PolarHBondContact O-N 3.31Å |
| 54 | S | 96.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 81.7 Ų | 81.7 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | A50 I51 L52 V57 I58 | A50-S54 WeakPolarHBondContact O-CB 3.44Å; A50-S54 PolarHBondContact O-N 3.01Å; I51-S54 WeakPolarHBondContact O-CB 3.5Å; I51-S54 PolarHBondContact O-N 3.35Å; L52-S54 PolarHBondContact O-N 3.15Å; S54-V57 PolarHBondContact O-N 3.22Å; S54-I58 WeakPolarHBondContact O-CD1 3.35Å; S54-I58 VanDerWaalsContact O-CG1 3.26Å; S54-I58 WeakPolarHBondContact O-CG1 3.47Å; S54-I58 PolarHBondContact O-N 3.31Å |
| 55 | V | 97.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 83.7 Ų | 83.7 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | I51 L52 V53 V57 I58 V59 | I51-V55 HydrophobicContact CG2-CG2 4.33Å; I51-V55 WeakPolarHBondContact O-CG2 3.46Å; I51-V55 PolarHBondContact O-N 3.43Å; L52-V55 PolarHBondContact O-N 3.46Å; V53-V55 PolarHBondContact O-N 2.95Å; V55-V57 VanDerWaalsContact C-N 3.34Å; V55-V57 PolarHBondContact O-N 3.33Å; V55-I58 PolarHBondContact O-N 3.42Å; V55-V59 HydrophobicContact CG1-CG2 4.35Å; V55-V59 WeakPolarHBondContact O-CG2 3.3Å; V55-V59 PolarHBondContact O-N 3.26Å |
| 56 | C | 97 | Very high | 95.6 | Very high | 79 Ų | 79 | 82.1 Ų | 82.1 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 174.4 | -75.3 | 0 | 0 | 0 | 0 | 111.9 | L52 V53 I58 V59 V60 | L52-C56 WeakPolarHBondContact O-CB 3.26Å; L52-C56 PolarHBondContact O-N 3.27Å; L52-C56 PolarHBondContact O-SG 3.46Å; V53-C56 PolarHBondContact O-N 2.95Å; C56-I58 PolarHBondContact O-N 2.75Å; C56-V59 PolarHBondContact O-N 3.44Å; C56-V60 WeakPolarHBondContact O-CB 3.28Å; C56-V60 VanDerWaalsContact O-CG2 3.24Å; C56-V60 WeakPolarHBondContact O-CG2 3.47Å; C56-V60 PolarHBondContact O-N 3.24Å |
| 57 | V | 97.2 | Very high | 95.7 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | V53 S54 V55 V59 V60 C61 | V53-V57 HydrophobicContact CG1-CG2 4.47Å; V53-V57 VanDerWaalsContact O-CG2 3.31Å; V53-V57 WeakPolarHBondContact O-CG2 3.49Å; V53-V57 PolarHBondContact O-N 3.31Å; S54-V57 PolarHBondContact O-N 3.22Å; V55-V57 VanDerWaalsContact C-N 3.34Å; V55-V57 PolarHBondContact O-N 3.33Å; V57-V59 PolarHBondContact O-N 3.03Å; V57-V60 PolarHBondContact O-N 3.21Å; V57-C61 WeakPolarHBondContact O-CB 3.42Å; V57-C61 PolarHBondContact O-N 3.45Å; V57-C61 PolarHBondContact O-SG 3Å |
| 58 | I | 96.5 | Very high | 95.7 | Very high | 107 Ų | 107 | 86.4 Ų | 86.4 | 55% | 0.549 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.7 | -67.6 | 163.7 | 0 | 0 | 0 | 111.2 | S54 V55 C56 C61 A62 | S54-I58 WeakPolarHBondContact O-CD1 3.35Å; S54-I58 VanDerWaalsContact O-CG1 3.26Å; S54-I58 WeakPolarHBondContact O-CG1 3.47Å; S54-I58 PolarHBondContact O-N 3.31Å; V55-I58 PolarHBondContact O-N 3.42Å; C56-I58 PolarHBondContact O-N 2.75Å; I58-C61 PolarHBondContact O-N 3.44Å; I58-A62 WeakPolarHBondContact O-CB 3.46Å; I58-A62 PolarHBondContact O-N 3.34Å |
| 59 | V | 96.7 | Very high | 95.6 | Very high | 72 Ų | 72 | 82.1 Ų | 82.1 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 179 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V55 C56 V57 C61 A62 I63 | V55-V59 HydrophobicContact CG1-CG2 4.35Å; V55-V59 WeakPolarHBondContact O-CG2 3.3Å; V55-V59 PolarHBondContact O-N 3.26Å; C56-V59 PolarHBondContact O-N 3.44Å; V57-V59 PolarHBondContact O-N 3.03Å; V59-C61 VanDerWaalsContact C-N 3.33Å; V59-C61 PolarHBondContact O-N 3.25Å; V59-A62 PolarHBondContact O-N 3.17Å; V59-I63 HydrophobicContact CG1-CD1 3.72Å; V59-I63 HydrophobicContact CG1-CG1 4.48Å; V59-I63 WeakPolarHBondContact O-CB 3.35Å; V59-I63 WeakPolarHBondContact O-CG1 3.49Å; V59-I63 PolarHBondContact O-N 3.12Å |
| 60 | V | 96.5 | Very high | 95.5 | Very high | 102 Ų | 102 | 80.6 Ų | 80.6 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | C56 V57 G64 | C56-V60 WeakPolarHBondContact O-CB 3.28Å; C56-V60 VanDerWaalsContact O-CG2 3.24Å; C56-V60 WeakPolarHBondContact O-CG2 3.47Å; C56-V60 PolarHBondContact O-N 3.24Å; V57-V60 PolarHBondContact O-N 3.21Å; V60-G64 WeakPolarHBondContact O-CA 3.17Å; V60-G64 PolarHBondContact O-N 3.38Å |
| 61 | C | 96 | Very high | 95.3 | Very high | 61 Ų | 61 | 81.1 Ų | 81.1 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 175 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | V57 I58 V59 I63 L65 | V57-C61 WeakPolarHBondContact O-CB 3.42Å; V57-C61 PolarHBondContact O-N 3.45Å; V57-C61 PolarHBondContact O-SG 3Å; I58-C61 PolarHBondContact O-N 3.44Å; V59-C61 VanDerWaalsContact C-N 3.33Å; V59-C61 PolarHBondContact O-N 3.25Å; C61-I63 VanDerWaalsContact C-N 3.34Å; C61-I63 PolarHBondContact O-N 3.19Å; C61-L65 HydrophobicContact CB-CD1 4.33Å; C61-L65 VanDerWaalsContact O-CB 3.22Å; C61-L65 WeakPolarHBondContact O-CB 3.47Å; C61-L65 WeakPolarHBondContact O-CD1 3.33Å; C61-L65 WeakPolarHBondContact O-CG 3.29Å; C61-L65 PolarHBondContact O-N 3.32Å |
| 62 | A | 95.1 | Very high | 95.2 | Very high | 67 Ų | 67 | 80.4 Ų | 80.4 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.2 | -32 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I58 V59 P66 | I58-A62 WeakPolarHBondContact O-CB 3.46Å; I58-A62 PolarHBondContact O-N 3.34Å; V59-A62 PolarHBondContact O-N 3.17Å; A62-P66 WeakPolarHBondContact O-CD 3.23Å; A62-P66 WeakPolarHBondContact O-CG 3.12Å |
| 63 | I | 94.8 | Very high | 95 | Very high | 109 Ų | 109 | 78.8 Ų | 78.8 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -96 | -41.6 | 177.9 | -59 | 173.5 | 0 | 0 | 0 | 110.9 | V59 C61 P66 V67 | V59-I63 HydrophobicContact CG1-CD1 3.72Å; V59-I63 HydrophobicContact CG1-CG1 4.48Å; V59-I63 WeakPolarHBondContact O-CB 3.35Å; V59-I63 WeakPolarHBondContact O-CG1 3.49Å; V59-I63 PolarHBondContact O-N 3.12Å; C61-I63 VanDerWaalsContact C-N 3.34Å; C61-I63 PolarHBondContact O-N 3.19Å; I63-P66 WeakPolarHBondContact O-CD 3.25Å; I63-V67 HydrophobicContact CG2-CG2 4.43Å; I63-V67 VanDerWaalsContact O-CG2 3.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.44Å; I63-V67 PolarHBondContact O-N 3.14Å |
| 64 | G | 94.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 78.2 Ų | 78.2 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V60 L68 | V60-G64 WeakPolarHBondContact O-CA 3.17Å; V60-G64 PolarHBondContact O-N 3.38Å; G64-L68 WeakPolarHBondContact O-CB 3.44Å; G64-L68 PolarHBondContact O-N 3.45Å |
| 65 | L | 93.8 | Very high | 94.6 | Very high | 104 Ų | 104 | 84.3 Ų | 84.3 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.9 | -46.5 | 179.2 | -65.2 | 172.2 | 0 | 0 | 0 | 112.4 | C61 V67 L68 T69 | C61-L65 HydrophobicContact CB-CD1 4.33Å; C61-L65 VanDerWaalsContact O-CB 3.22Å; C61-L65 WeakPolarHBondContact O-CB 3.47Å; C61-L65 WeakPolarHBondContact O-CD1 3.33Å; C61-L65 WeakPolarHBondContact O-CG 3.29Å; C61-L65 PolarHBondContact O-N 3.32Å; L65-V67 PolarHBondContact O-N 3.18Å; L65-L68 PolarHBondContact O-N 2.88Å; L65-T69 WeakPolarHBondContact O-CB 2.98Å; L65-T69 VanDerWaalsContact O-CG2 3.28Å; L65-T69 WeakPolarHBondContact O-CG2 3.45Å; L65-T69 PolarHBondContact O-N 3.33Å; L65-T69 PolarHBondContact O-OG1 3.28Å |
| 66 | P | 94.2 | Very high | 94.4 | Very high | 73 Ų | 73 | 86.6 Ų | 86.6 | 47% | 0.474 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.2 | -27.6 | 37 | 0 | 0 | 0 | 114 | A62 I63 T69 G70 | A62-P66 WeakPolarHBondContact O-CD 3.23Å; A62-P66 WeakPolarHBondContact O-CG 3.12Å; I63-P66 WeakPolarHBondContact O-CD 3.25Å; P66-T69 VanDerWaalsContact CA-OG1 3.28Å; P66-T69 WeakPolarHBondContact CA-OG1 3.28Å; P66-T69 PolarHBondContact O-OG1 2.98Å; P66-G70 PolarHBondContact O-N 3.36Å |
| 67 | V | 94.7 | Very high | 94.1 | Very high | 90 Ų | 90 | 90.4 Ų | 90.4 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | I63 L65 G70 T71 | I63-V67 HydrophobicContact CG2-CG2 4.43Å; I63-V67 VanDerWaalsContact O-CG2 3.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.44Å; I63-V67 PolarHBondContact O-N 3.14Å; L65-V67 PolarHBondContact O-N 3.18Å; V67-G70 PolarHBondContact O-N 3.43Å; V67-T71 WeakPolarHBondContact O-CB 3.15Å; V67-T71 VanDerWaalsContact O-CG2 3.32Å; V67-T71 WeakPolarHBondContact O-CG2 3.47Å; V67-T71 PolarHBondContact O-N 3.11Å; V67-T71 PolarHBondContact O-OG1 3.26Å |
| 68 | L | 93.8 | Very high | 93.9 | Very high | 105 Ų | 105 | 89.5 Ų | 89.5 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 176.4 | -174.5 | 66.4 | 0 | 0 | 0 | 111.4 | G64 L65 T71 V72 | G64-L68 WeakPolarHBondContact O-CB 3.44Å; G64-L68 PolarHBondContact O-N 3.45Å; L65-L68 PolarHBondContact O-N 2.88Å; L68-T71 WeakPolarHBondContact CA-OG1 3.36Å; L68-T71 PolarHBondContact O-N 3.43Å; L68-T71 PolarHBondContact O-OG1 3.09Å; L68-V72 HydrophobicContact CD1-CG2 4.31Å; L68-V72 HydrophobicContact CG-CG2 4.45Å; L68-V72 WeakPolarHBondContact O-CB 3.12Å; L68-V72 VanDerWaalsContact O-CG2 3.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.32Å; L68-V72 PolarHBondContact O-N 3.45Å |
| 69 | T | 91.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 89.6 Ų | 89.6 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | L65 P66 N73 | L65-T69 WeakPolarHBondContact O-CB 2.98Å; L65-T69 VanDerWaalsContact O-CG2 3.28Å; L65-T69 WeakPolarHBondContact O-CG2 3.45Å; L65-T69 PolarHBondContact O-N 3.33Å; L65-T69 PolarHBondContact O-OG1 3.28Å; P66-T69 VanDerWaalsContact CA-OG1 3.28Å; P66-T69 WeakPolarHBondContact CA-OG1 3.28Å; P66-T69 PolarHBondContact O-OG1 2.98Å; T69-N73 WeakPolarHBondContact O-CB 3.5Å; T69-N73 PolarHBondContact O-N 2.9Å; T69-N73 PolarHBondContact O-ND2 2.92Å |
| 70 | G | 93.4 | Very high | 93.4 | Very high | 33 Ų | 33 | 90 Ų | 90 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P66 V67 N73 S74 | P66-G70 PolarHBondContact O-N 3.36Å; V67-G70 PolarHBondContact O-N 3.43Å; G70-N73 PolarHBondContact O-N 2.73Å; G70-S74 WeakPolarHBondContact O-CB 3.34Å; G70-S74 PolarHBondContact O-N 3.35Å; G70-S74 PolarHBondContact O-OG 3.44Å |
| 71 | T | 92.5 | Very high | 93.1 | Very high | 71 Ų | 71 | 90.9 Ų | 90.9 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 179.4 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | V67 L68 R75 | V67-T71 WeakPolarHBondContact O-CB 3.15Å; V67-T71 VanDerWaalsContact O-CG2 3.32Å; V67-T71 WeakPolarHBondContact O-CG2 3.47Å; V67-T71 PolarHBondContact O-N 3.11Å; V67-T71 PolarHBondContact O-OG1 3.26Å; L68-T71 WeakPolarHBondContact CA-OG1 3.36Å; L68-T71 PolarHBondContact O-N 3.43Å; L68-T71 PolarHBondContact O-OG1 3.09Å; T71-R75 PolarHBondContact O-N 2.89Å; T71-R75 VanDerWaalsContact O-N 3.12Å |
| 72 | V | 93.8 | Very high | 92.9 | Very high | 80 Ų | 80 | 93.7 Ų | 93.7 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L68 R75 K76 | L68-V72 HydrophobicContact CD1-CG2 4.31Å; L68-V72 HydrophobicContact CG-CG2 4.45Å; L68-V72 WeakPolarHBondContact O-CB 3.12Å; L68-V72 VanDerWaalsContact O-CG2 3.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.32Å; L68-V72 PolarHBondContact O-N 3.45Å; V72-R75 PolarHBondContact O-N 3.1Å; V72-K76 WeakPolarHBondContact O-CB 3.47Å; V72-K76 PolarHBondContact O-N 3.34Å |
| 73 | N | 92.7 | Very high | 92.6 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.1 | -75.3 | -15.8 | 0 | 0 | 0 | 111.4 | T69 G70 R75 K76 Y77 | T69-N73 WeakPolarHBondContact O-CB 3.5Å; T69-N73 PolarHBondContact O-N 2.9Å; T69-N73 PolarHBondContact O-ND2 2.92Å; G70-N73 PolarHBondContact O-N 2.73Å; N73-R75 VanDerWaalsContact C-N 3.35Å; N73-R75 PolarHBondContact O-N 2.96Å; N73-K76 WeakPolarHBondContact O-CB 3.48Å; N73-K76 PolarHBondContact O-N 3.45Å; N73-Y77 HydrophobicContact CB-CD2 4.41Å; N73-Y77 HydrophobicContact CB-CE2 4.12Å; N73-Y77 WeakPolarHBondContact O-CD2 3.22Å; N73-Y77 PolarHBondContact O-N 2.9Å |
| 74 | S | 92.4 | Very high | 92.3 | Very high | 81 Ų | 81 | 98 Ų | 98 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | G70 Y77 S78 | G70-S74 WeakPolarHBondContact O-CB 3.34Å; G70-S74 PolarHBondContact O-N 3.35Å; G70-S74 PolarHBondContact O-OG 3.44Å; S74-Y77 PolarHBondContact O-N 3.1Å; S74-S78 PolarHBondContact O-N 3.02Å |
| 75 | R | 92 | Very high | 92.2 | Very high | 193 Ų | 193 | 100.5 Ų | 100.5 | 73% | 0.728 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 174.3 | -73.4 | -175.4 | 178.6 | -165 | -1.6 | 112.1 | T71 V72 N73 S78 L79 | T71-R75 PolarHBondContact O-N 2.89Å; T71-R75 VanDerWaalsContact O-N 3.12Å; V72-R75 PolarHBondContact O-N 3.1Å; N73-R75 VanDerWaalsContact C-N 3.35Å; N73-R75 PolarHBondContact O-N 2.96Å; R75-S78 PolarHBondContact O-N 3.35Å; R75-L79 PolarHBondContact O-N 3.46Å |
| 76 | K | 93.1 | Very high | 92.2 | Very high | 125 Ų | 125 | 99.6 Ų | 99.6 | 54% | 0.543 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.3 | 178.8 | 172.8 | 177.4 | 162.8 | 0 | 111.5 | V72 N73 S78 L79 D80 | V72-K76 WeakPolarHBondContact O-CB 3.47Å; V72-K76 PolarHBondContact O-N 3.34Å; N73-K76 WeakPolarHBondContact O-CB 3.48Å; N73-K76 PolarHBondContact O-N 3.45Å; K76-S78 VanDerWaalsContact C-N 3.31Å; K76-S78 PolarHBondContact O-N 3.31Å; K76-L79 PolarHBondContact O-N 3.38Å; K76-D80 WeakPolarHBondContact O-CB 3.18Å; K76-D80 PolarHBondContact O-N 3.25Å |
| 77 | Y | 91.2 | Very high | 92.2 | Very high | 158 Ų | 158 | 101.9 Ų | 101.9 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.1 | -39.1 | 177 | -72.5 | -61.4 | 0 | 0 | 0 | 112.4 | N73 S74 D80 I81 | N73-Y77 HydrophobicContact CB-CD2 4.41Å; N73-Y77 HydrophobicContact CB-CE2 4.12Å; N73-Y77 WeakPolarHBondContact O-CD2 3.22Å; N73-Y77 PolarHBondContact O-N 2.9Å; S74-Y77 PolarHBondContact O-N 3.1Å; Y77-D80 PolarHBondContact O-N 3.31Å; Y77-I81 VanDerWaalsContact O-CG1 3.29Å; Y77-I81 WeakPolarHBondContact O-CG1 3.29Å; Y77-I81 PolarHBondContact O-N 2.91Å; Y77-I81 VanDerWaalsContact O-N 3.1Å |
| 78 | S | 92.7 | Very high | 92.1 | Very high | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 175.4 | -163.4 | 0 | 0 | 0 | 0 | 111.8 | S74 R75 K76 I81 E82 | S74-S78 PolarHBondContact O-N 3.02Å; R75-S78 PolarHBondContact O-N 3.35Å; K76-S78 VanDerWaalsContact C-N 3.31Å; K76-S78 PolarHBondContact O-N 3.31Å; S78-I81 PolarHBondContact O-N 3.43Å; S78-E82 PolarHBondContact O-N 3.2Å; S78-E82 VanDerWaalsContact O-N 3.14Å |
| 79 | L | 92.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 104.8 Ų | 104.8 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -36.4 | 178.3 | -77 | 165.5 | 0 | 0 | 0 | 112.6 | R75 K76 I81 E82 M83 | R75-L79 PolarHBondContact O-N 3.46Å; K76-L79 PolarHBondContact O-N 3.38Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-E82 PolarHBondContact O-N 3.48Å; L79-M83 VanDerWaalsContact O-CB 3.28Å; L79-M83 WeakPolarHBondContact O-CB 3.24Å; L79-M83 PolarHBondContact O-N 3.48Å |
| 80 | D | 90.1 | Very high | 92.3 | Very high | 80 Ų | 80 | 103.8 Ų | 103.8 | 43% | 0.428 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 176.3 | -78.5 | -30.5 | 0 | 0 | 0 | 111 | K76 Y77 M83 M84 | K76-D80 WeakPolarHBondContact O-CB 3.18Å; K76-D80 PolarHBondContact O-N 3.25Å; Y77-D80 PolarHBondContact O-N 3.31Å; D80-M83 PolarHBondContact O-N 3.48Å; D80-M84 WeakPolarHBondContact O-CG 3.41Å; D80-M84 PolarHBondContact O-N 3.25Å |
| 81 | I | 90.7 | Very high | 92.4 | Very high | 121 Ų | 121 | 106 Ų | 106 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.9 | -46.1 | 176.2 | -67.6 | 165.7 | 0 | 0 | 0 | 111.1 | Y77 S78 L79 M83 M84 D85 | Y77-I81 VanDerWaalsContact O-CG1 3.29Å; Y77-I81 WeakPolarHBondContact O-CG1 3.29Å; Y77-I81 PolarHBondContact O-N 2.91Å; Y77-I81 VanDerWaalsContact O-N 3.1Å; S78-I81 PolarHBondContact O-N 3.43Å; L79-I81 VanDerWaalsContact C-N 3.33Å; I81-M83 VanDerWaalsContact C-N 3.34Å; I81-M83 PolarHBondContact O-N 3.5Å; I81-M84 WeakPolarHBondContact O-CB 3.15Å; I81-M84 PolarHBondContact O-N 3.14Å; I81-D85 PolarHBondContact O-N 3.38Å |
| 82 | E | 91.1 | Very high | 92.6 | Very high | 119 Ų | 119 | 109.2 Ų | 109.2 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 177.3 | -71.2 | -179.1 | 170.1 | 0 | 0 | 111.9 | S78 L79 M84 D85 V86 | S78-E82 PolarHBondContact O-N 3.2Å; S78-E82 VanDerWaalsContact O-N 3.14Å; L79-E82 PolarHBondContact O-N 3.48Å; E82-M84 VanDerWaalsContact C-N 3.28Å; E82-M84 PolarHBondContact O-N 3.32Å; E82-D85 PolarHBondContact O-N 3.05Å; E82-V86 WeakPolarHBondContact O-CG2 3.06Å; E82-V86 PolarHBondContact O-N 3.4Å; E82-V86 VanDerWaalsContact O-N 3.1Å |
| 83 | M | 89 | Confident | 92.7 | Very high | 127 Ų | 127 | 110.5 Ų | 110.5 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -33.1 | 176 | -175.5 | 65.7 | 78.4 | 0 | 0 | 112.1 | L79 D80 I81 K87 | L79-M83 VanDerWaalsContact O-CB 3.28Å; L79-M83 WeakPolarHBondContact O-CB 3.24Å; L79-M83 PolarHBondContact O-N 3.48Å; D80-M83 PolarHBondContact O-N 3.48Å; I81-M83 VanDerWaalsContact C-N 3.34Å; I81-M83 PolarHBondContact O-N 3.5Å; M83-K87 VanDerWaalsContact O-CB 3.3Å; M83-K87 WeakPolarHBondContact O-CB 3.31Å; M83-K87 PolarHBondContact O-N 3.49Å |
| 84 | M | 89.4 | Confident | 92.8 | Very high | 141 Ų | 141 | 113.3 Ų | 113.3 | 70% | 0.695 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -40.1 | 175.3 | -76.1 | -173 | 77.4 | 0 | 0 | 112.4 | D80 I81 E82 K87 Q88 | D80-M84 WeakPolarHBondContact O-CG 3.41Å; D80-M84 PolarHBondContact O-N 3.25Å; I81-M84 WeakPolarHBondContact O-CB 3.15Å; I81-M84 PolarHBondContact O-N 3.14Å; E82-M84 VanDerWaalsContact C-N 3.28Å; E82-M84 PolarHBondContact O-N 3.32Å; M84-K87 PolarHBondContact O-N 3.47Å; M84-Q88 WeakPolarHBondContact O-CB 3.39Å; M84-Q88 PolarHBondContact O-N 3.21Å |
| 85 | D | 91.8 | Very high | 92.9 | Very high | 84 Ų | 84 | 115.2 Ų | 115.2 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.8 | -44.8 | 176.2 | -172.4 | 41.2 | 0 | 0 | 0 | 111.3 | I81 E82 K87 Q88 Q89 | I81-D85 PolarHBondContact O-N 3.38Å; E82-D85 PolarHBondContact O-N 3.05Å; D85-K87 VanDerWaalsContact C-N 3.3Å; D85-K87 PolarHBondContact O-N 3.3Å; D85-Q88 WeakPolarHBondContact O-CB 3.28Å; D85-Q88 PolarHBondContact O-N 3.44Å; D85-Q88 VanDerWaalsContact O-N 3.1Å; D85-Q89 WeakPolarHBondContact O-CG 3.26Å; D85-Q89 PolarHBondContact O-N 3.38Å; D85-Q89 PolarHBondContact OD2-NE2 2.88Å |
| 86 | V | 92.9 | Very high | 93.1 | Very high | 85 Ų | 85 | 111.3 Ų | 111.3 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 175 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | E82 Q89 A90 | E82-V86 WeakPolarHBondContact O-CG2 3.06Å; E82-V86 PolarHBondContact O-N 3.4Å; E82-V86 VanDerWaalsContact O-N 3.1Å; V86-Q89 PolarHBondContact O-N 3.4Å; V86-A90 WeakPolarHBondContact O-CB 3.4Å; V86-A90 PolarHBondContact O-N 3.44Å |
| 87 | K | 94.3 | Very high | 93.1 | Very high | 122 Ų | 122 | 109.1 Ų | 109.1 | 53% | 0.53 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.7 | -175.1 | -178.2 | 179 | -61.7 | 0 | 111.5 | M83 M84 D85 Q89 A90 D91 | M83-K87 VanDerWaalsContact O-CB 3.3Å; M83-K87 WeakPolarHBondContact O-CB 3.31Å; M83-K87 PolarHBondContact O-N 3.49Å; M84-K87 PolarHBondContact O-N 3.47Å; D85-K87 VanDerWaalsContact C-N 3.3Å; D85-K87 PolarHBondContact O-N 3.3Å; K87-Q89 VanDerWaalsContact C-N 3.32Å; K87-Q89 PolarHBondContact O-N 3.37Å; K87-A90 PolarHBondContact O-N 3.49Å; K87-D91 IonicContact NZ-OD1 4Å; K87-D91 IonicContact NZ-OD2 2.73Å; K87-D91 PolarHBondContact NZ-OD2 3.02Å; K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 PolarHBondContact O-N 3.5Å |
| 88 | Q | 93.7 | Very high | 93.2 | Very high | 140 Ų | 140 | 105.3 Ų | 105.3 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 178.2 | -173.5 | 175.4 | -13.2 | 0 | 0 | 111.9 | M84 D85 K92 | M84-Q88 WeakPolarHBondContact O-CB 3.39Å; M84-Q88 PolarHBondContact O-N 3.21Å; D85-Q88 WeakPolarHBondContact O-CB 3.28Å; D85-Q88 PolarHBondContact O-N 3.44Å; D85-Q88 VanDerWaalsContact O-N 3.1Å; Q88-K92 WeakPolarHBondContact O-CB 3.41Å; Q88-K92 PolarHBondContact O-N 3.4Å; Q88-K92 VanDerWaalsContact O-N 3.09Å |
| 89 | Q | 94.7 | Very high | 93.2 | Very high | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 173.9 | -67.9 | 178.5 | 17.3 | 0 | 0 | 112.1 | D85 V86 K87 K92 L93 | D85-Q89 WeakPolarHBondContact O-CG 3.26Å; D85-Q89 PolarHBondContact O-N 3.38Å; D85-Q89 PolarHBondContact OD2-NE2 2.88Å; V86-Q89 PolarHBondContact O-N 3.4Å; K87-Q89 VanDerWaalsContact C-N 3.32Å; K87-Q89 PolarHBondContact O-N 3.37Å; Q89-K92 PolarHBondContact O-N 3.34Å; Q89-L93 PolarHBondContact O-N 3.1Å |
| 90 | A | 94.2 | Very high | 93.3 | Very high | 54 Ų | 54 | 103.8 Ų | 103.8 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V86 K87 K92 L93 W94 | V86-A90 WeakPolarHBondContact O-CB 3.4Å; V86-A90 PolarHBondContact O-N 3.44Å; K87-A90 PolarHBondContact O-N 3.49Å; A90-K92 VanDerWaalsContact C-N 3.3Å; A90-K92 PolarHBondContact O-N 3.03Å; A90-L93 PolarHBondContact O-N 3.27Å; A90-W94 WeakPolarHBondContact O-CB 3.43Å; A90-W94 PolarHBondContact O-N 3.14Å |
| 91 | D | 95.8 | Very high | 93.4 | Very high | 78 Ų | 78 | 105.1 Ų | 105.1 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 176.4 | -74.7 | -25.9 | 0 | 0 | 0 | 110.9 | K87 L95 | K87-D91 IonicContact NZ-OD1 4Å; K87-D91 IonicContact NZ-OD2 2.73Å; K87-D91 PolarHBondContact NZ-OD2 3.02Å; K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 PolarHBondContact O-N 3.5Å; D91-L95 WeakPolarHBondContact O-CG 3.29Å; D91-L95 PolarHBondContact O-N 3.37Å |
| 92 | K | 96 | Very high | 93.5 | Very high | 140 Ų | 140 | 102.7 Ų | 102.7 | 61% | 0.609 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -47.9 | 174 | -174.4 | -176.5 | 175.5 | -172.2 | 0 | 112.1 | Q88 Q89 A90 W94 L95 E96 | Q88-K92 WeakPolarHBondContact O-CB 3.41Å; Q88-K92 PolarHBondContact O-N 3.4Å; Q88-K92 VanDerWaalsContact O-N 3.09Å; Q89-K92 PolarHBondContact O-N 3.34Å; A90-K92 VanDerWaalsContact C-N 3.3Å; A90-K92 PolarHBondContact O-N 3.03Å; K92-W94 VanDerWaalsContact C-N 3.31Å; K92-W94 PolarHBondContact O-N 3.15Å; K92-L95 PolarHBondContact O-N 3.43Å; K92-E96 PolarHBondContact O-N 3.48Å |
| 93 | L | 96 | Very high | 93.6 | Very high | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 179.1 | -172.6 | 69.5 | 0 | 0 | 0 | 111.8 | Q89 A90 E96 M97 | Q89-L93 PolarHBondContact O-N 3.1Å; A90-L93 PolarHBondContact O-N 3.27Å; L93-E96 PolarHBondContact O-N 3.33Å; L93-M97 PolarHBondContact O-N 3.48Å |
| 94 | W | 95 | Very high | 93.6 | Very high | 135 Ų | 135 | 102.3 Ų | 102.3 | 51% | 0.511 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 175.9 | 177.5 | -98.2 | 0 | 0 | 0 | 111.9 | A90 K92 E96 M97 M98 | A90-W94 WeakPolarHBondContact O-CB 3.43Å; A90-W94 PolarHBondContact O-N 3.14Å; K92-W94 VanDerWaalsContact C-N 3.31Å; K92-W94 PolarHBondContact O-N 3.15Å; W94-E96 VanDerWaalsContact C-N 3.34Å; W94-E96 PolarHBondContact O-N 2.69Å; W94-M97 PolarHBondContact O-N 2.91Å; W94-M98 HydrophobicContact CD2-CE 4.08Å; W94-M98 HydrophobicContact CD2-CG 4.46Å; W94-M98 HydrophobicContact CE3-CE 4.1Å; W94-M98 HydrophobicContact CH2-CE 3.41Å; W94-M98 VanDerWaalsContact CH2-CE 3.41Å; W94-M98 HydrophobicContact CZ2-CE 3.35Å; W94-M98 HydrophobicContact CZ2-CG 4.41Å; W94-M98 HydrophobicContact CZ2-SD 4.1Å; W94-M98 HydrophobicContact CZ3-CE 3.78Å; W94-M98 WeakPolarHBondContact O-CG 3.49Å; W94-M98 PolarHBondContact O-N 3.34Å |
| 95 | L | 95.5 | Very high | 93.6 | Very high | 121 Ų | 121 | 101.8 Ų | 101.8 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 176.8 | -71.6 | 169 | 0 | 0 | 0 | 112.1 | D91 K92 M98 A99 | D91-L95 WeakPolarHBondContact O-CG 3.29Å; D91-L95 PolarHBondContact O-N 3.37Å; K92-L95 PolarHBondContact O-N 3.43Å; L95-M98 PolarHBondContact O-N 3.12Å; L95-A99 WeakPolarHBondContact O-CB 3.2Å; L95-A99 PolarHBondContact O-N 2.94Å |
| 96 | E | 95.9 | Very high | 93.2 | Very high | 112 Ų | 112 | 101.9 Ų | 101.9 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.3 | -70.4 | -175.4 | -177.9 | 0 | 0 | 112.2 | K92 L93 W94 A99 L100 | K92-E96 PolarHBondContact O-N 3.48Å; L93-E96 PolarHBondContact O-N 3.33Å; W94-E96 VanDerWaalsContact C-N 3.34Å; W94-E96 PolarHBondContact O-N 2.69Å; E96-A99 PolarHBondContact O-N 3.47Å; E96-L100 PolarHBondContact O-N 2.85Å |
| 97 | M | 93.8 | Very high | 92.8 | Very high | 79 Ų | 79 | 105.7 Ų | 105.7 | 39% | 0.389 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.6 | -176.6 | 66.2 | 78.1 | 0 | 0 | 111.9 | L93 W94 A99 L100 H101 | L93-M97 PolarHBondContact O-N 3.48Å; W94-M97 PolarHBondContact O-N 2.91Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 3.17Å; M97-L100 WeakPolarHBondContact O-CB 3.15Å; M97-L100 PolarHBondContact O-N 2.93Å; M97-L100 VanDerWaalsContact O-N 3.17Å; M97-H101 PolarHBondContact O-N 3.43Å |
| 98 | M | 91.4 | Very high | 92.1 | Very high | 77 Ų | 77 | 108.4 Ų | 108.4 | 38% | 0.379 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.9 | -69.3 | -63.2 | 128.3 | 0 | 0 | 111.7 | W94 L95 L100 H101 S102 | W94-M98 HydrophobicContact CD2-CE 4.08Å; W94-M98 HydrophobicContact CD2-CG 4.46Å; W94-M98 HydrophobicContact CE3-CE 4.1Å; W94-M98 HydrophobicContact CH2-CE 3.41Å; W94-M98 VanDerWaalsContact CH2-CE 3.41Å; W94-M98 HydrophobicContact CZ2-CE 3.35Å; W94-M98 HydrophobicContact CZ2-CG 4.41Å; W94-M98 HydrophobicContact CZ2-SD 4.1Å; W94-M98 HydrophobicContact CZ3-CE 3.78Å; W94-M98 WeakPolarHBondContact O-CG 3.49Å; W94-M98 PolarHBondContact O-N 3.34Å; L95-M98 PolarHBondContact O-N 3.12Å; M98-L100 VanDerWaalsContact C-N 3.31Å; M98-L100 PolarHBondContact O-N 3.43Å; M98-H101 PolarHBondContact O-N 3.47Å; M98-S102 PolarHBondContact O-N 3.3Å |
| 99 | A | 94.4 | Very high | 90.9 | Very high | 45 Ų | 45 | 108.9 Ų | 108.9 | 37% | 0.372 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -31.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L95 E96 M97 S102 K103 | L95-A99 WeakPolarHBondContact O-CB 3.2Å; L95-A99 PolarHBondContact O-N 2.94Å; E96-A99 PolarHBondContact O-N 3.47Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 3.17Å; A99-S102 PolarHBondContact O-OG 2.96Å; A99-S102 VanDerWaalsContact O-OG 3.04Å; A99-K103 WeakPolarHBondContact O-CD 3.48Å; A99-K103 VanDerWaalsContact O-CG 3.31Å; A99-K103 WeakPolarHBondContact O-CG 3.4Å |
| 100 | L | 94.5 | Very high | 89.5 | Confident | 98 Ų | 98 | 108.6 Ų | 108.6 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.8 | -42.1 | 172.4 | -163.8 | 96.3 | 0 | 0 | 0 | 111.5 | E96 M97 M98 S102 K103 L104 | E96-L100 PolarHBondContact O-N 2.85Å; M97-L100 WeakPolarHBondContact O-CB 3.15Å; M97-L100 PolarHBondContact O-N 2.93Å; M97-L100 VanDerWaalsContact O-N 3.17Å; M98-L100 VanDerWaalsContact C-N 3.31Å; M98-L100 PolarHBondContact O-N 3.43Å; L100-S102 PolarHBondContact O-N 2.83Å; L100-K103 WeakPolarHBondContact O-CB 3.36Å; L100-K103 PolarHBondContact O-N 2.87Å; L100-L104 HydrophobicContact CD2-CD1 4.25Å; L100-L104 PolarHBondContact O-N 3.43Å |
| 101 | H | 91.8 | Very high | 87.8 | Confident | 107 Ų | 107 | 109 Ų | 109 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -40.9 | -179.3 | -173.7 | -109.9 | 0 | 0 | 0 | 112.1 | M97 M98 K103 L104 R105 | M97-H101 PolarHBondContact O-N 3.43Å; M98-H101 PolarHBondContact O-N 3.47Å; H101-K103 VanDerWaalsContact C-N 3.34Å; H101-K103 PolarHBondContact O-N 3.5Å; H101-L104 PolarHBondContact O-N 3.44Å; H101-R105 WeakPolarHBondContact O-CB 3.32Å; H101-R105 PolarHBondContact O-N 2.87Å |
| 102 | S | 92.1 | Very high | 85.8 | Confident | 70 Ų | 70 | 115.4 Ų | 115.4 | 49% | 0.49 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.8 | -40.5 | 175 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | M98 A99 L100 R105 S106 | M98-S102 PolarHBondContact O-N 3.3Å; A99-S102 PolarHBondContact O-OG 2.96Å; A99-S102 VanDerWaalsContact O-OG 3.04Å; L100-S102 PolarHBondContact O-N 2.83Å; S102-R105 PolarHBondContact O-N 2.93Å; S102-S106 PolarHBondContact O-N 2.82Å |
| 103 | K | 92.7 | Very high | 83.4 | Confident | 143 Ų | 143 | 112.5 Ų | 112.5 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.9 | -42.4 | 174.9 | -70.9 | 172.3 | -176.5 | 176 | 0 | 112.4 | A99 L100 H101 K107 | A99-K103 WeakPolarHBondContact O-CD 3.48Å; A99-K103 VanDerWaalsContact O-CG 3.31Å; A99-K103 WeakPolarHBondContact O-CG 3.4Å; L100-K103 WeakPolarHBondContact O-CB 3.36Å; L100-K103 PolarHBondContact O-N 2.87Å; H101-K103 VanDerWaalsContact C-N 3.34Å; H101-K103 PolarHBondContact O-N 3.5Å; K103-K107 PolarHBondContact O-N 3.44Å |
| 104 | L | 89.8 | Confident | 80.9 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.3 | -39 | 177.4 | -70.8 | 174.8 | 0 | 0 | 0 | 112.3 | L100 H101 K107 R108 | L100-L104 HydrophobicContact CD2-CD1 4.25Å; L100-L104 PolarHBondContact O-N 3.43Å; H101-L104 PolarHBondContact O-N 3.44Å; L104-K107 PolarHBondContact O-N 2.94Å; L104-R108 PolarHBondContact O-N 2.72Å; L104-R108 VanDerWaalsContact O-N 3.16Å |
| 105 | R | 88.9 | Confident | 78.7 | Confident | 129 Ų | 129 | 112.4 Ų | 112.4 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.1 | -43.7 | 176.2 | -166.1 | 178.1 | -164.7 | 162.7 | 5.7 | 111.5 | H101 S102 K107 R108 H109 | H101-R105 WeakPolarHBondContact O-CB 3.32Å; H101-R105 PolarHBondContact O-N 2.87Å; S102-R105 PolarHBondContact O-N 2.93Å; R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 3.01Å; R105-R108 PolarHBondContact O-N 2.93Å; R105-H109 PolarHBondContact O-CD2 3.05Å; R105-H109 VanDerWaalsContact O-CD2 3.3Å; R105-H109 PolarHBondContact O-N 3.46Å |
| 106 | S | 84.3 | Confident | 76.5 | Confident | 87 Ų | 87 | 113.2 Ų | 113.2 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.7 | -44.3 | 175.1 | 180 | 0 | 0 | 0 | 0 | 112.1 | S102 R108 H109 | S102-S106 PolarHBondContact O-N 2.82Å; S106-R108 PolarHBondContact O-N 3.44Å; S106-H109 PolarHBondContact O-N 3.28Å |
| 107 | K | 84.6 | Confident | 74.1 | Confident | 164 Ų | 164 | 115.7 Ų | 115.7 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.9 | -36.6 | 176.5 | -75.8 | -174.1 | 178.2 | -176.9 | 0 | 113.7 | K103 L104 R105 H109 S110 | K103-K107 PolarHBondContact O-N 3.44Å; L104-K107 PolarHBondContact O-N 2.94Å; R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 3.01Å; K107-H109 PolarHBondContact O-N 3.27Å; K107-S110 PolarHBondContact O-N 2.74Å |
| 108 | R | 78.4 | Confident | 71.8 | Confident | 180 Ų | 180 | 118 Ų | 118 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.1 | -36.3 | -178.3 | -168.8 | -176.4 | -67.9 | 152.1 | -0.7 | 112.7 | L104 R105 S106 S110 G111 | L104-R108 PolarHBondContact O-N 2.72Å; L104-R108 VanDerWaalsContact O-N 3.16Å; R105-R108 PolarHBondContact O-N 2.93Å; S106-R108 PolarHBondContact O-N 3.44Å; R108-S110 VanDerWaalsContact C-N 3.28Å; R108-S110 PolarHBondContact O-N 3Å; R108-G111 PolarHBondContact O-N 3.23Å |
| 109 | H | 69.6 | Low | 69.8 | Low | 150 Ų | 150 | 120.1 Ų | 120.1 | 69% | 0.694 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.9 | -21.6 | 178.6 | -74.5 | -72.6 | 0 | 0 | 0 | 113.3 | R105 S106 K107 | R105-H109 PolarHBondContact O-CD2 3.05Å; R105-H109 VanDerWaalsContact O-CD2 3.3Å; R105-H109 PolarHBondContact O-N 3.46Å; S106-H109 PolarHBondContact O-N 3.28Å; K107-H109 PolarHBondContact O-N 3.27Å |
| 110 | S | 65.6 | Low | 67.8 | Low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -9.9 | 178.1 | -172.7 | 0 | 0 | 0 | 0 | 114.4 | K107 R108 | K107-S110 PolarHBondContact O-N 2.74Å; R108-S110 VanDerWaalsContact C-N 3.28Å; R108-S110 PolarHBondContact O-N 3Å |
| 111 | G | 58.6 | Low | 65.5 | Low | 62 Ų | 62 | 122.9 Ų | 122.9 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -99.1 | -2.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | R108 | R108-G111 PolarHBondContact O-N 3.23Š|
| 112 | Y | 52.5 | Low | 63.3 | Low | 213 Ų | 213 | 124.2 Ų | 124.2 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | | | trans | -111.4 | 89.4 | -179.4 | -81.6 | -88.3 | 0 | 0 | 0 | 111 | | |
| 113 | G | 46.4 | Very low | 60.9 | Low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 116.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 114 | S | 44 | Very low | 58.5 | Low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -73 | 140.6 | 173.1 | -79.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 115 | P | 48.2 | Very low | 56 | Low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -77 | 128.2 | 176 | 29.9 | -30.9 | 0 | 0 | 0 | 111.5 | | |
| 116 | T | 48.3 | Very low | 53.6 | Low | 139 Ų | 139 | 132.3 Ų | 132.3 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 123.9 | 177.8 | 39 | 0 | 0 | 0 | 0 | 111.6 | | |
| 117 | L | 47.3 | Very low | 51.6 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 142.3 | 164.4 | -105.1 | 103.9 | 0 | 0 | 0 | 110 | | |
| 118 | P | 44.4 | Very low | 49.4 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 122.1 | -177.3 | 33.3 | -30 | 0 | 0 | 0 | 111.8 | | |
| 119 | S | 50.1 | Low | 47.8 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 121.6 | 175.4 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 120 | G | 50.8 | Low | 46.6 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 167.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 121 | P | 47 | Very low | 45.3 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90 | 147.2 | -163.5 | 34.2 | -32.8 | 0 | 0 | 0 | 114.8 | | |
| 122 | V | 46.3 | Very low | 44.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 138 | -177.6 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 123 | L | 41 | Very low | 43.7 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 137.5 | 171.7 | -77 | 163.2 | 0 | 0 | 0 | 111.7 | | |
| 124 | P | 41.7 | Very low | 43.2 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | trans | -122.2 | 143.9 | 172.3 | 37.7 | -24.6 | 0 | 0 | 0 | 114.7 | | |
| 125 | Y | 37.8 | Very low | 43 | Very low | 239 Ų | 239 | 132.1 Ų | 132.1 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | | | trans | -170.1 | 147.6 | 163.4 | -123.4 | -92.6 | 0 | 0 | 0 | 107.8 | | |
| 126 | A | 39.3 | Very low | 42.4 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | | | cis | -173.4 | 159 | -28.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 127 | G | 41.7 | Very low | 41.8 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | 99 | 139 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 128 | G | 39.5 | Very low | 41.3 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | cis | -169.5 | 142.1 | 2.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 129 | Q | 44.7 | Very low | 40.9 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | | 97.3 | 138.3 | 99.3 | -82.8 | -172.4 | 4.8 | 0 | 0 | 116 | | |
| 130 | F | 42.5 | Very low | 40.3 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | trans | 79.4 | 126.5 | 172.4 | -55.8 | -80.1 | 0 | 0 | 0 | 116.6 | | |
| 131 | G | 38.5 | Very low | 39.6 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | cis | 138.2 | 118.7 | 13.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 132 | A | 35.8 | Very low | 39.1 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | -64.9 | 168.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 133 | P | 43.2 | Very low | 39.3 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | | -148.5 | 156.6 | 80.3 | 36.1 | -16.4 | 0 | 0 | 0 | 116.6 | | |
| 134 | A | 34.3 | Very low | 40 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | -76.7 | 130.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 135 | R | 39.8 | Very low | 40.1 | Very low | 238 Ų | 238 | 133.3 Ų | 133.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | | 171.9 | 134.1 | 127.8 | -104.7 | -178 | 176 | 179.4 | -0.4 | 114.2 | | |
| 136 | T | 36.4 | Very low | 40.2 | Very low | 115 Ų | 115 | 127 Ų | 127 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 90.3 | 103.2 | 135.3 | -53.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 137 | V | 34.9 | Very low | 40.1 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | trans | 78.9 | 109.7 | 133.5 | -177.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 138 | S | 37.6 | Very low | 39.8 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | | -161.4 | 146.9 | 106.4 | -82.6 | 0 | 0 | 0 | 0 | 112 | | |
| 139 | Q | 36 | Very low | 39.5 | Very low | 167 Ų | 167 | 136 Ų | 136 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | -72 | 150.6 | -169.1 | -57.2 | 169.7 | -33.7 | 0 | 0 | 112.8 | | |
| 140 | V | 37 | Very low | 38.9 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | | -141 | 128.6 | 128.7 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | Y142 | V140-Y142 HydrophobicContact CG1-CE2 4.44Š|
| 141 | V | 37.9 | Very low | 38.4 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 62% | 0.618 | 78% | 0.78 | S | S | * | * | | | trans | -91.3 | 140.6 | -172.9 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 142 | Y | 36.4 | Very low | 38.1 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -139.2 | 139.2 | 145.8 | -76.4 | -76.2 | 0 | 0 | 0 | 109.7 | V140 | V140-Y142 HydrophobicContact CG1-CE2 4.44Š|
| 143 | P | 50.4 | Low | 38 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | trans | -93.8 | 155.3 | -160.4 | 36.4 | -34.8 | 0 | 0 | 0 | 114.3 | | |
| 144 | P | 55.1 | Low | 37.4 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -95 | 159.9 | 162.2 | 38.3 | -29.5 | 0 | 0 | 0 | 110.2 | | |
| 145 | P | 42.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | | -153.4 | 170.5 | 116.8 | 35.7 | -16.5 | 0 | 0 | 0 | 111.5 | | |
| 146 | S | 40.3 | Very low | 37.1 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | cis | -173.3 | 148.9 | -6.4 | 39 | 0 | 0 | 0 | 0 | 106.5 | | |
| 147 | T | 36.7 | Very low | 37 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | trans | -50.2 | 153.3 | 165 | 33.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 148 | D | 37.2 | Very low | 36.9 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | | -175.9 | 108.1 | 121 | -85.4 | -22 | 0 | 0 | 0 | 108.6 | | |
| 149 | Q | 32.3 | Very low | 36.8 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | | 51.7 | 106.2 | 84.6 | -77.9 | -159.5 | -6.2 | 0 | 0 | 114.6 | | |
| 150 | Q | 31.3 | Very low | 36.7 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | | 165.6 | 157.9 | 115.5 | -96 | 175.6 | -72 | 0 | 0 | 111.1 | | |
| 151 | Y | 33.6 | Very low | 36.6 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | 88.6 | 80.3 | 179.8 | -81.9 | -93.4 | 0 | 0 | 0 | 115.3 | | |
| 152 | S | 31 | Very low | 36.3 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | | 68.9 | 124.3 | 69.3 | -62.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 153 | S | 33.8 | Very low | 36.5 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | 104.5 | 107 | 137.1 | 70.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 154 | V | 30.2 | Very low | 35.8 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | | 64.2 | 107.9 | 124.3 | -176.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 155 | M | 37.5 | Very low | 34.8 | Very low | 181 Ų | 181 | 146 Ų | 146 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | | | | -165.4 | 126.9 | 118.6 | -98.2 | -60 | -164.3 | 0 | 0 | 110.5 | | |
| 156 | Q | 30.8 | Very low | 34.3 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -88.5 | 159.4 | -173.1 | -68.7 | 160.2 | -48.9 | 0 | 0 | 112.6 | | |
| 157 | G | 34 | Very low | 34.2 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 157.1 | 83.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 158 | S | 33.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | | 78.6 | 91.1 | 71.9 | 177.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 159 | Y | 35.1 | Very low | 34.2 | Very low | 244 Ų | 244 | 146 Ų | 146 | 96% | 0.957 | 80% | 0.804 | S | S | * | * | | | trans | -167.2 | 125.3 | 139.1 | -71.9 | -76.7 | 0 | 0 | 0 | 105.9 | | |
| 160 | G | 35.2 | Very low | 34.6 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | | | cis | -172.8 | 136.4 | -6.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 161 | Q | 34.8 | Very low | 35.2 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | 62.1 | 96.9 | 139.7 | -65.2 | 176.9 | -3.3 | 0 | 0 | 122.5 | | |
| 162 | T | 31.2 | Very low | 35.5 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | | 20 | 118.2 | 121.7 | 53.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 163 | I | 40.1 | Very low | 35.7 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -137.2 | 89.4 | 139.7 | -24.3 | 174.3 | 0 | 0 | 0 | 107.8 | | |
| 164 | D | 37.1 | Very low | 36 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -77.9 | 115 | 155.9 | -103.2 | -56.3 | 0 | 0 | 0 | 106.5 | | |
| 165 | Q | 33.6 | Very low | 36.6 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | 177.8 | 123.4 | 149.2 | -103.3 | 170.9 | 6.5 | 0 | 0 | 111.5 | | |
| 166 | G | 32.3 | Very low | 37.2 | Very low | 55 Ų | 55 | 140.9 Ų | 140.9 | 57% | 0.567 | 81% | 0.807 | S | S | * | * | | | trans | 89.4 | 98.3 | 132.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | L168 | G166-L168 PolarHBondContact O-N 3.43Š|
| 167 | Q | 37.1 | Very low | 37.8 | Very low | 200 Ų | 200 | 141.3 Ų | 141.3 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | | 26.1 | 84.3 | 122 | -71.8 | 164.5 | -72 | 0 | 0 | 115.9 | | |
| 168 | L | 37.4 | Very low | 38.2 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -129.2 | 124.3 | 153 | -82.8 | 165.4 | 0 | 0 | 0 | 108.1 | G166 | G166-L168 PolarHBondContact O-N 3.43Š|
| 169 | G | 36.2 | Very low | 38.9 | Very low | 62 Ų | 62 | 144.9 Ų | 144.9 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | | | trans | -70.2 | 160 | -157.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E171 | G169-E171 PolarHBondContact O-N 3.04Š|
| 170 | A | 41.7 | Very low | 39.4 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 27.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 171 | E | 42.6 | Very low | 39.8 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | -4.7 | -161.9 | -55.4 | -93.7 | 116.3 | 0 | 0 | 114.8 | G169 | G169-E171 PolarHBondContact O-N 3.04Š|
| 172 | D | 41.8 | Very low | 40.4 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | | | trans | -156.9 | 42.1 | -179.2 | -145.1 | 6.5 | 0 | 0 | 0 | 117.2 | T174 | D172-T174 VanDerWaalsContact C-N 3.26Å; D172-T174 PolarHBondContact O-N 3.48Å |
| 173 | C | 34.9 | Very low | 41.3 | Very low | 125 Ų | 125 | 138 Ų | 138 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -82.2 | 72.9 | 171.4 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | C175 | C173-C175 PolarHBondContact O-N 2.72Š|
| 174 | T | 39.4 | Very low | 41.7 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | | | trans | -67.5 | 108.2 | 162.5 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | D172 H176 | D172-T174 VanDerWaalsContact C-N 3.26Å; D172-T174 PolarHBondContact O-N 3.48Å; T174-H176 PolarHBondContact O-N 3.12Å |
| 175 | C | 42.4 | Very low | 42.2 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -91.8 | 76.9 | 167.5 | -69.3 | 0 | 0 | 0 | 0 | 110.3 | C173 R177 | C173-C175 PolarHBondContact O-N 2.72Å; C175-R177 PolarHBondContact O-N 3.1Å |
| 176 | H | 49.7 | Very low | 42.8 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 88% | 0.884 | 75% | 0.754 | S | S | * | * | | | trans | -84.1 | 16.2 | 170.2 | -124.4 | 63.6 | 0 | 0 | 0 | 113.1 | T174 | T174-H176 PolarHBondContact O-N 3.12Š|
| 177 | R | 44.8 | Very low | 43.4 | Very low | 198 Ų | 198 | 126.5 Ų | 126.5 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -139.2 | 125.5 | 176.4 | -100.4 | 165.6 | 78.2 | 172.3 | 2.9 | 110.2 | C175 | C175-R177 PolarHBondContact O-N 3.1Š|
| 178 | P | 42.9 | Very low | 43.9 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -70.7 | 147.8 | 167.4 | 30.2 | -28.9 | 0 | 0 | 0 | 108.7 | | |
| 179 | N | 47.4 | Very low | 44.3 | Very low | 152 Ų | 152 | 120 Ų | 120 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | 98.6 | 38.1 | 165.9 | -46 | -53.2 | 0 | 0 | 0 | 120.1 | | |
| 180 | L | 45.1 | Very low | 44.6 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | trans | -128.9 | 26.2 | 169.3 | -89.2 | 126.2 | 0 | 0 | 0 | 115.1 | | |
| 181 | C | 44.4 | Very low | 44.6 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 127.2 | 167.9 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 182 | P | 47.2 | Very low | 44.9 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.1 | 172.1 | 25.2 | -32.2 | 0 | 0 | 0 | 110.1 | G184 | P182-G184 PolarHBondContact O-N 3.24Š|
| 183 | P | 48.9 | Very low | 45 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 137.6 | 173.2 | -24.3 | 33 | 0 | 0 | 0 | 111 | | |
| 184 | G | 48.2 | Very low | 45.5 | Very low | 51 Ų | 51 | 118.8 Ų | 118.8 | 53% | 0.526 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -61 | 160.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P182 | P182-G184 PolarHBondContact O-N 3.24Š|
| 185 | P | 47.9 | Very low | 45.8 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 145.1 | 175.5 | 25.3 | -33.7 | 0 | 0 | 0 | 110.5 | G187 | P185-G187 PolarHBondContact O-N 3.15Š|
| 186 | P | 47.3 | Very low | 45.8 | Very low | 101 Ų | 101 | 115.5 Ų | 115.5 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 139.5 | 172 | -25.3 | 33.5 | 0 | 0 | 0 | 111.1 | L349 | P186-L349 HydrophobicContact CB-CD1 3.91Å; P186-L349 HydrophobicContact CG-CD1 3.92Å |
| 187 | G | 44 | Very low | 45.7 | Very low | 54 Ų | 54 | 113.6 Ų | 113.6 | 56% | 0.557 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 155.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P185 | P185-G187 PolarHBondContact O-N 3.15Š|
| 188 | P | 47.6 | Very low | 45.8 | Very low | 122 Ų | 122 | 108.8 Ų | 108.8 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 145.8 | 173.7 | 25.4 | -33.6 | 0 | 0 | 0 | 110.1 | G190 | P188-G190 PolarHBondContact O-N 2.96Š|
| 189 | P | 46.9 | Very low | 45.5 | Very low | 115 Ų | 115 | 107.4 Ų | 107.4 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 140 | 171.7 | -26.6 | 34.4 | 0 | 0 | 0 | 110.9 | | |
| 190 | G | 41.3 | Very low | 45.3 | Very low | 58 Ų | 58 | 105.4 Ų | 105.4 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 144.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P188 | P188-G190 PolarHBondContact O-N 2.96Š|
| 191 | Q | 42.9 | Very low | 45.6 | Very low | 186 Ų | 186 | 103.5 Ų | 103.5 | 87% | 0.869 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -56 | 139.3 | 173.3 | -68.4 | 179.5 | 19.6 | 0 | 0 | 109.1 | G193 | Q191-G193 PolarHBondContact O-N 3.42Š|
| 192 | P | 48.8 | Very low | 45.3 | Very low | 98 Ų | 98 | 101.2 Ų | 101.2 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 138 | 170.7 | -26.5 | 34.4 | 0 | 0 | 0 | 110.3 | | |
| 193 | G | 42.2 | Very low | 45.4 | Very low | 60 Ų | 60 | 105 Ų | 105 | 62% | 0.619 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 141.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q191 D195 | Q191-G193 PolarHBondContact O-N 3.42Å; G193-D195 PolarHBondContact O-N 3.21Å |
| 194 | L | 45.4 | Very low | 45.6 | Very low | 174 Ų | 174 | 106.1 Ų | 106.1 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 138 | 172.9 | -64.4 | 171.2 | 0 | 0 | 0 | 109.6 | G196 | L194-G196 PolarHBondContact O-N 3.03Š|
| 195 | D | 47.3 | Very low | 45 | Very low | 99 Ų | 99 | 107.3 Ų | 107.3 | 53% | 0.529 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -50.6 | 137.8 | 176.7 | -63.5 | -39.1 | 0 | 0 | 0 | 111.2 | G193 K197 P340 | G193-D195 PolarHBondContact O-N 3.21Å; D195-K197 PolarHBondContact O-N 3.49Å; D195-P340 WeakPolarHBondContact OD1-CB 3.34Å; D195-P340 WeakPolarHBondContact OD1-CG 3.33Å |
| 196 | G | 41.9 | Very low | 44.9 | Very low | 61 Ų | 61 | 109.4 Ų | 109.4 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 119.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L194 | L194-G196 PolarHBondContact O-N 3.03Š|
| 197 | K | 46.6 | Very low | 44.7 | Very low | 151 Ų | 151 | 110.5 Ų | 110.5 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 143.1 | 172.4 | 63.6 | -165.3 | 171.8 | -150.3 | 0 | 111.7 | D195 P239 | D195-K197 PolarHBondContact O-N 3.49Å; K197-P239 HydrophobicContact CD-CB 4.07Å; K197-P239 HydrophobicContact CD-CG 3.85Å; K197-P239 VanDerWaalsContact CE-CG 3.44Å |
| 198 | D | 46.9 | Very low | 44.3 | Very low | 97 Ų | 97 | 111.7 Ų | 111.7 | 52% | 0.519 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -56 | 150 | -178.6 | -56.1 | -41.6 | 0 | 0 | 0 | 113.1 | Q337 | D198-Q337 VanDerWaalsContact OD1-CB 3.25Å; D198-Q337 WeakPolarHBondContact OD1-CB 3.49Å; D198-Q337 WeakPolarHBondContact OD1-CG 3.45Å; D198-Q337 PolarHBondContact OD1-NE2 2.9Å |
| 199 | G | 36.6 | Very low | 44 | Very low | 74 Ų | 74 | 117.2 Ų | 117.2 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 148.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 200 | F | 44.5 | Very low | 43.6 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 49% | 0.487 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 142.1 | 176.3 | -73.1 | -78.9 | 0 | 0 | 0 | 112.3 | G202 P239 D240 | F200-G202 PolarHBondContact O-N 3.23Å; F200-P239 VanDerWaalsContact CE2-CA 3.47Å; F200-P239 HydrophobicContact CE2-CB 3.48Å; F200-P239 VanDerWaalsContact CE2-CB 3.48Å; F200-P239 VanDerWaalsContact CZ-CA 3.45Å; F200-P239 HydrophobicContact CZ-CB 3.38Å; F200-D240 HydrophobicContact CD1-CB 4.31Å; F200-D240 HydrophobicContact CE1-CB 3.61Å; F200-D240 WeakPolarHBondContact CE1-O 3.4Å; F200-D240 HydrophobicContact CZ-CB 3.97Å; F200-D240 VanDerWaalsContact CZ-O 3.26Å; F200-D240 WeakPolarHBondContact CZ-O 3.28Å |
| 201 | P | 51.1 | Low | 43.2 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 136.2 | 165.1 | -20.9 | 32.1 | 0 | 0 | 0 | 110.5 | | |
| 202 | G | 37 | Very low | 43.2 | Very low | 74 Ų | 74 | 118.8 Ų | 118.8 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 147.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F200 | F200-G202 PolarHBondContact O-N 3.23Š|
| 203 | E | 50.8 | Low | 42.5 | Very low | 190 Ų | 190 | 121.8 Ų | 121.8 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 141.3 | 174.1 | -70.4 | -176.3 | 111.7 | 0 | 0 | 111.1 | G205 | E203-G205 PolarHBondContact O-N 3.5Š|
| 204 | P | 53.6 | Low | 42.3 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134.1 | 169.6 | -22.6 | 33.3 | 0 | 0 | 0 | 111.2 | | |
| 205 | G | 35.4 | Very low | 41.7 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E203 | E203-G205 PolarHBondContact O-N 3.5Š|
| 206 | L | 44.7 | Very low | 41.3 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 140.9 | 172 | -72.7 | 164.8 | 0 | 0 | 0 | 110.4 | G208 | L206-G208 PolarHBondContact O-N 3.39Š|
| 207 | P | 44 | Very low | 41.1 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.5 | 174.5 | -21.5 | 32.2 | 0 | 0 | 0 | 111.4 | R209 | P207-R209 PolarHBondContact O-N 2.87Š|
| 208 | G | 35.3 | Very low | 40.8 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 132.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L206 | L206-G208 PolarHBondContact O-N 3.39Š|
| 209 | R | 42.1 | Very low | 40.1 | Very low | 239 Ų | 239 | 140.6 Ų | 140.6 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -117.9 | 119.6 | 165.4 | -178.5 | 179 | 161.5 | -175.8 | -5.5 | 107.8 | P207 | P207-R209 PolarHBondContact O-N 2.87Š|
| 210 | D | 38.3 | Very low | 39.7 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -68.6 | 135.1 | -179.7 | -52.8 | -36.5 | 0 | 0 | 0 | 110.7 | | |
| 211 | G | 31.1 | Very low | 39.1 | Very low | 62 Ų | 62 | 143.9 Ų | 143.9 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | | | trans | -97.9 | 162.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 212 | N | 42.8 | Very low | 38.1 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | | -169.2 | 121.2 | 118.3 | -96.8 | -13.4 | 0 | 0 | 0 | 111 | | |
| 213 | L | 35.5 | Very low | 37.8 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | | | trans | -89.5 | 150.5 | 161.3 | -67.1 | 165.4 | 0 | 0 | 0 | 107.8 | | |
| 214 | V | 36.8 | Very low | 37 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 92% | 0.915 | 82% | 0.817 | S | S | * | * | | | trans | -145.4 | 125.8 | 145.1 | -104.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 215 | M | 33.3 | Very low | 36 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 84% | 0.837 | 82% | 0.82 | S | S | * | * | | | trans | -103.7 | 145 | 170.4 | -85.6 | -148.7 | 52.8 | 0 | 0 | 108.1 | | |
| 216 | E | 39.2 | Very low | 36 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | | | trans | -114.8 | 112.8 | 167 | -76.2 | 180 | 140.6 | 0 | 0 | 109.8 | | |
| 217 | E | 38.5 | Very low | 35.7 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | | 57.4 | 137.2 | 124.8 | -65.7 | 179 | 155.3 | 0 | 0 | 123.4 | | |
| 218 | E | 40 | Very low | 36 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -67 | 161.7 | 177.1 | -64.6 | 165.5 | 102.5 | 0 | 0 | 113.4 | | |
| 219 | E | 31.3 | Very low | 36 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | | -157.5 | 139.1 | 116.3 | -127.6 | -178.5 | 86.2 | 0 | 0 | 114.7 | | |
| 220 | C | 27.9 | Very low | 36.1 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 60% | 0.595 | 78% | 0.782 | S | S | * | * | | | trans | 81.5 | 132.5 | 137.3 | -89.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 221 | Q | 32 | Very low | 37.1 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 90 | 95.5 | 141.1 | -77.4 | 160.6 | -8.2 | 0 | 0 | 120.2 | | |
| 222 | I | 31.1 | Very low | 37.3 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | 40.1 | 107.4 | 137.3 | -66.7 | 167.5 | 0 | 0 | 0 | 116.1 | | |
| 223 | C | 30.3 | Very low | 37.2 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -145 | 155.9 | 172.3 | -83.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 224 | P | 34.2 | Very low | 37.6 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -78.2 | 170.1 | -156.6 | 33.5 | -36.1 | 0 | 0 | 0 | 113.9 | G226 | P224-G226 PolarHBondContact O-N 3.47Š|
| 225 | Q | 33.2 | Very low | 37.6 | Very low | 190 Ų | 190 | 130.5 Ų | 130.5 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -28.2 | 118.7 | -176.1 | -172.7 | 162.3 | 76.8 | 0 | 0 | 115 | | |
| 226 | G | 35.2 | Very low | 37.8 | Very low | 58 Ų | 58 | 129.1 Ų | 129.1 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 162.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P224 | P224-G226 PolarHBondContact O-N 3.47Š|
| 227 | P | 38.7 | Very low | 38 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 159.4 | -176.4 | 26.9 | -35.1 | 0 | 0 | 0 | 112.8 | G229 | P227-G229 PolarHBondContact O-N 2.91Š|
| 228 | P | 48.8 | Very low | 37.8 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 132.7 | 174 | -26.8 | 34.3 | 0 | 0 | 0 | 111.8 | | |
| 229 | G | 36.1 | Very low | 37.9 | Very low | 50 Ų | 50 | 117 Ų | 117 | 52% | 0.515 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 148.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P227 | P227-G229 PolarHBondContact O-N 2.91Š|
| 230 | P | 43.3 | Very low | 38.6 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 153.5 | 179.3 | 25.2 | -34.1 | 0 | 0 | 0 | 110.8 | G232 | P230-G232 PolarHBondContact O-N 3.44Š|
| 231 | P | 59 | Low | 38.9 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 135.2 | 170.5 | -26.3 | 34.2 | 0 | 0 | 0 | 110.2 | | |
| 232 | G | 36 | Very low | 39.2 | Very low | 48 Ų | 48 | 111 Ų | 111 | 50% | 0.495 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 148.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P230 Q234 | P230-G232 PolarHBondContact O-N 3.44Å; G232-Q234 PolarHBondContact O-N 3.31Å |
| 233 | P | 41.3 | Very low | 39.9 | Very low | 124 Ų | 124 | 112 Ų | 112 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.4 | -177.4 | 22.5 | -33.4 | 0 | 0 | 0 | 109.3 | G235 | P233-G235 PolarHBondContact O-N 3.31Š|
| 234 | Q | 44.2 | Very low | 40.2 | Very low | 188 Ų | 188 | 108 Ų | 108 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 129.2 | 175.1 | -174.2 | 172.9 | 5.4 | 0 | 0 | 108.2 | G232 V236 | G232-Q234 PolarHBondContact O-N 3.31Å; Q234-V236 PolarHBondContact O-N 2.88Å |
| 235 | G | 35.4 | Very low | 40.8 | Very low | 63 Ų | 63 | 108.1 Ų | 108.1 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 132.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P233 R237 | P233-G235 PolarHBondContact O-N 3.31Å; G235-R237 PolarHBondContact O-N 3.46Å; G235-R237 VanDerWaalsContact O-N 3.12Å |
| 236 | V | 37.5 | Very low | 41.3 | Very low | 141 Ų | 141 | 109.9 Ų | 109.9 | 86% | 0.855 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 124 | -179.8 | -83.5 | 0 | 0 | 0 | 0 | 109.3 | Q234 G238 | Q234-V236 PolarHBondContact O-N 2.88Å; V236-G238 PolarHBondContact O-N 2.97Å |
| 237 | R | 43.5 | Very low | 41.4 | Very low | 205 Ų | 205 | 109 Ų | 109 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 131.2 | 173.8 | 177.6 | 176 | 164.8 | 166.9 | -5.6 | 107.5 | G235 D240 | G235-R237 PolarHBondContact O-N 3.46Å; G235-R237 VanDerWaalsContact O-N 3.12Å; R237-D240 IonicContact CZ-OD1 3.4Å; R237-D240 IonicContact NE-OD1 3.34Å; R237-D240 PolarHBondContact NE-OD1 3.36Å; R237-D240 IonicContact NH2-OD1 2.75Å; R237-D240 PolarHBondContact NH2-OD1 2.9Å |
| 238 | G | 35.1 | Very low | 41.7 | Very low | 30 Ų | 30 | 112 Ų | 112 | 31% | 0.309 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -53 | 153 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V236 D240 | V236-G238 PolarHBondContact O-N 2.97Å; G238-D240 PolarHBondContact O-N 3.32Å |
| 239 | P | 42.4 | Very low | 42.1 | Very low | 47 Ų | 47 | 112.1 Ų | 112.1 | 31% | 0.305 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -48.7 | 137.5 | 172.2 | 29.4 | -41.8 | 0 | 0 | 0 | 110.2 | K197 F200 | K197-P239 HydrophobicContact CD-CB 4.07Å; K197-P239 HydrophobicContact CD-CG 3.85Å; K197-P239 VanDerWaalsContact CE-CG 3.44Å; F200-P239 VanDerWaalsContact CE2-CA 3.47Å; F200-P239 HydrophobicContact CE2-CB 3.48Å; F200-P239 VanDerWaalsContact CE2-CB 3.48Å; F200-P239 VanDerWaalsContact CZ-CA 3.45Å; F200-P239 HydrophobicContact CZ-CB 3.38Å |
| 240 | D | 45.3 | Very low | 42.4 | Very low | 80 Ų | 80 | 112.3 Ų | 112.3 | 43% | 0.428 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 146.3 | 169.2 | -64.6 | -44 | 0 | 0 | 0 | 110.4 | F200 R237 G238 | F200-D240 HydrophobicContact CD1-CB 4.31Å; F200-D240 HydrophobicContact CE1-CB 3.61Å; F200-D240 WeakPolarHBondContact CE1-O 3.4Å; F200-D240 HydrophobicContact CZ-CB 3.97Å; F200-D240 VanDerWaalsContact CZ-O 3.26Å; F200-D240 WeakPolarHBondContact CZ-O 3.28Å; R237-D240 IonicContact CZ-OD1 3.4Å; R237-D240 IonicContact NE-OD1 3.34Å; R237-D240 PolarHBondContact NE-OD1 3.36Å; R237-D240 IonicContact NH2-OD1 2.75Å; R237-D240 PolarHBondContact NH2-OD1 2.9Å; G238-D240 PolarHBondContact O-N 3.32Å |
| 241 | G | 34.1 | Very low | 42.9 | Very low | 29 Ų | 29 | 116.3 Ų | 116.3 | 30% | 0.299 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 152.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K243 | G241-K243 PolarHBondContact O-N 3.35Š|
| 242 | F | 39.4 | Very low | 43 | Very low | 199 Ų | 199 | 116.3 Ų | 116.3 | 87% | 0.873 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -52 | 130.4 | 173.5 | -68 | -82.4 | 0 | 0 | 0 | 110.4 | G244 G275 | F242-G244 PolarHBondContact O-N 2.91Å; F242-G275 WeakPolarHBondContact O-CA 3.48Å |
| 243 | K | 44.5 | Very low | 43.6 | Very low | 192 Ų | 192 | 116.3 Ų | 116.3 | 84% | 0.835 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -57 | 131.7 | 169.1 | -78.2 | -177.5 | 179.8 | 176.8 | 0 | 108.3 | G241 | G241-K243 PolarHBondContact O-N 3.35Š|
| 244 | G | 36.5 | Very low | 44.2 | Very low | 34 Ų | 34 | 116.5 Ų | 116.5 | 35% | 0.351 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 157 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F242 | F242-G244 PolarHBondContact O-N 2.91Š|
| 245 | P | 47.2 | Very low | 44.8 | Very low | 123 Ų | 123 | 113.5 Ų | 113.5 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 145.7 | 177.3 | 24.2 | -33.8 | 0 | 0 | 0 | 111 | G247 | P245-G247 PolarHBondContact O-N 2.8Š|
| 246 | R | 43.4 | Very low | 45.4 | Very low | 226 Ų | 226 | 112.5 Ų | 112.5 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 130 | 173.1 | -176.8 | 177.9 | 179.2 | 167.2 | 1.2 | 109.2 | | |
| 247 | G | 37.3 | Very low | 46.1 | Very low | 41 Ų | 41 | 111.1 Ų | 111.1 | 42% | 0.423 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 142.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P245 | P245-G247 PolarHBondContact O-N 2.8Š|
| 248 | Q | 46.1 | Very low | 46.6 | Very low | 180 Ų | 180 | 106.9 Ų | 106.9 | 84% | 0.841 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 141.9 | 176.2 | -77.2 | -178.3 | 29.2 | 0 | 0 | 110.1 | G250 | Q248-G250 PolarHBondContact O-N 3.37Š|
| 249 | P | 57 | Low | 47.3 | Very low | 118 Ų | 118 | 113.7 Ų | 113.7 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 140.4 | 170.7 | -25.6 | 34 | 0 | 0 | 0 | 111.1 | | |
| 250 | G | 42.3 | Very low | 47.8 | Very low | 54 Ų | 54 | 117.8 Ų | 117.8 | 56% | 0.557 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 145 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q248 | Q248-G250 PolarHBondContact O-N 3.37Š|
| 251 | K | 53.3 | Low | 48 | Very low | 196 Ų | 196 | 121.8 Ų | 121.8 | 85% | 0.852 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.6 | 173.8 | -68 | -177.8 | 178.3 | -178.8 | 0 | 109.1 | | |
| 252 | P | 61.2 | Low | 48.7 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 141.8 | 172.1 | -25.8 | 33.9 | 0 | 0 | 0 | 111.2 | | |
| 253 | G | 47.9 | Very low | 49.1 | Very low | 49 Ų | 49 | 120.1 Ų | 120.1 | 51% | 0.505 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 145.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 254 | T | 55.2 | Low | 49.7 | Very low | 128 Ų | 128 | 116 Ų | 116 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.9 | 171.8 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | G256 | T254-G256 PolarHBondContact O-N 3.5Š|
| 255 | P | 56.3 | Low | 50.7 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 134 | 171.9 | -24.7 | 33.7 | 0 | 0 | 0 | 110.5 | | |
| 256 | G | 48.7 | Very low | 50.8 | Low | 42 Ų | 42 | 116.7 Ų | 116.7 | 43% | 0.433 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 136.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T254 D258 | T254-G256 PolarHBondContact O-N 3.5Å; G256-D258 PolarHBondContact O-N 2.93Å; G256-D258 VanDerWaalsContact O-N 3.14Å |
| 257 | S | 52.1 | Low | 51.5 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -69.5 | -3.8 | -176.9 | 53 | 0 | 0 | 0 | 0 | 114.4 | | |
| 258 | D | 53.5 | Low | 52.2 | Low | 116 Ų | 116 | 115.4 Ų | 115.4 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -133.6 | 128.1 | -176.7 | -57.6 | -60.8 | 0 | 0 | 0 | 108.1 | G256 T260 | G256-D258 PolarHBondContact O-N 2.93Å; G256-D258 VanDerWaalsContact O-N 3.14Å; D258-T260 PolarHBondContact O-N 3.35Å |
| 259 | N | 50.4 | Low | 52 | Low | 174 Ų | 174 | 109 Ų | 109 | 93% | 0.93 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 33.3 | -167.5 | -59.8 | -39.5 | 0 | 0 | 0 | 114.7 | | |
| 260 | T | 51.7 | Low | 51.6 | Low | 133 Ų | 133 | 108.7 Ų | 108.7 | 82% | 0.816 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145 | -1.6 | -171.6 | -10.5 | 0 | 0 | 0 | 0 | 114.7 | D258 | D258-T260 PolarHBondContact O-N 3.35Š|
| 261 | E | 50.1 | Low | 51.9 | Low | 164 Ų | 164 | 112 Ų | 112 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | | | trans | -132.4 | 113.6 | 175.1 | -68.7 | -171.2 | 162.2 | 0 | 0 | 111.4 | G263 | E261-G263 PolarHBondContact O-N 2.97Å; E261-G263 VanDerWaalsContact O-N 3.15Å |
| 262 | V | 49.4 | Very low | 51 | Low | 147 Ų | 147 | 104.8 Ų | 104.8 | 89% | 0.891 | 70% | 0.696 | S | S | * | * | | | trans | -64.5 | 112.1 | 168.9 | 175.9 | 0 | 0 | 0 | 0 | 107.4 | S264 | V262-S264 PolarHBondContact O-N 3.29Š|
| 263 | G | 47.5 | Very low | 50 | Low | 45 Ų | 45 | 110.1 Ų | 110.1 | 46% | 0.464 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 134.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | E261 | E261-G263 PolarHBondContact O-N 2.97Å; E261-G263 VanDerWaalsContact O-N 3.15Å |
| 264 | S | 55.7 | Low | 49.8 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -57 | 143 | -180 | -47.4 | 0 | 0 | 0 | 0 | 111.2 | V262 G266 | V262-S264 PolarHBondContact O-N 3.29Å; S264-G266 PolarHBondContact O-N 3.48Å |
| 265 | P | 58.1 | Low | 48.8 | Very low | 127 Ų | 127 | 110.6 Ų | 110.6 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 137.7 | 172.5 | -25.8 | 34 | 0 | 0 | 0 | 111 | | |
| 266 | G | 49.4 | Very low | 48.1 | Very low | 44 Ų | 44 | 111.5 Ų | 111.5 | 45% | 0.454 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 153 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S264 | S264-G266 PolarHBondContact O-N 3.48Š|
| 267 | P | 58.7 | Low | 48.1 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 150.9 | 177.3 | 25.4 | -33.9 | 0 | 0 | 0 | 110.9 | G269 | P267-G269 PolarHBondContact O-N 3.49Š|
| 268 | P | 51.9 | Low | 47.4 | Very low | 126 Ų | 126 | 111.6 Ų | 111.6 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 141.8 | 172.9 | -25.8 | 34.1 | 0 | 0 | 0 | 111.5 | | |
| 269 | G | 42.2 | Very low | 47 | Very low | 44 Ų | 44 | 111.6 Ų | 111.6 | 45% | 0.454 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 153.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P267 | P267-G269 PolarHBondContact O-N 3.49Š|
| 270 | P | 47.9 | Very low | 47.1 | Very low | 113 Ų | 113 | 109.4 Ų | 109.4 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59 | 150.1 | 176.9 | 25.8 | -34 | 0 | 0 | 0 | 110.9 | | |
| 271 | P | 47.9 | Very low | 46.4 | Very low | 124 Ų | 124 | 105.9 Ų | 105.9 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 145 | 171.1 | -24.9 | 33.9 | 0 | 0 | 0 | 111.4 | | |
| 272 | G | 35.1 | Very low | 46.1 | Very low | 43 Ų | 43 | 106 Ų | 106 | 44% | 0.443 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 147.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 273 | R | 40.4 | Very low | 46 | Very low | 236 Ų | 236 | 104.6 Ų | 104.6 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -64 | 139.6 | 173.9 | -66 | 177.2 | 87.4 | 179.4 | 6 | 109.2 | | |
| 274 | D | 43.9 | Very low | 45.7 | Very low | 155 Ų | 155 | 105.5 Ų | 105.5 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 142.3 | 171.5 | -62.6 | -40.4 | 0 | 0 | 0 | 110.3 | | |
| 275 | G | 34.4 | Very low | 45.2 | Very low | 32 Ų | 32 | 104.7 Ų | 104.7 | 33% | 0.33 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -62 | 145.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F242 | F242-G275 WeakPolarHBondContact O-CA 3.48Š|
| 276 | N | 41.5 | Very low | 44.2 | Very low | 144 Ų | 144 | 105.5 Ų | 105.5 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 141.2 | 172.1 | -70.6 | -41.3 | 0 | 0 | 0 | 109.8 | G278 | N276-G278 PolarHBondContact O-N 2.72Š|
| 277 | P | 49.2 | Very low | 43.8 | Very low | 120 Ų | 120 | 108.1 Ų | 108.1 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 139.2 | 172.1 | -24.9 | 33.4 | 0 | 0 | 0 | 111.1 | | |
| 278 | G | 36.7 | Very low | 43 | Very low | 36 Ų | 36 | 112.6 Ų | 112.6 | 37% | 0.371 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 153.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | N276 | N276-G278 PolarHBondContact O-N 2.72Š|
| 279 | P | 45.8 | Very low | 42.4 | Very low | 115 Ų | 115 | 109.7 Ų | 109.7 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 147.7 | 173.5 | 25.3 | -33.5 | 0 | 0 | 0 | 110.6 | G281 | P279-G281 PolarHBondContact O-N 3.27Š|
| 280 | P | 51.3 | Low | 42.3 | Very low | 128 Ų | 128 | 111.2 Ų | 111.2 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -52 | 138 | 172.9 | -25.1 | 33.7 | 0 | 0 | 0 | 111 | L282 | P280-L282 PolarHBondContact O-N 3.34Š|
| 281 | G | 37.3 | Very low | 42 | Very low | 59 Ų | 59 | 115.4 Ų | 115.4 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | P279 | P279-G281 PolarHBondContact O-N 3.27Š|
| 282 | L | 43.1 | Very low | 41.6 | Very low | 166 Ų | 166 | 112.3 Ų | 112.3 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.5 | 171.8 | -72.8 | 164 | 0 | 0 | 0 | 109.2 | P280 G284 | P280-L282 PolarHBondContact O-N 3.34Å; L282-G284 PolarHBondContact O-N 3.45Å |
| 283 | P | 47.6 | Very low | 42.1 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130 | 171.7 | -22.9 | 32.2 | 0 | 0 | 0 | 109.6 | A285 | P283-A285 PolarHBondContact O-N 2.97Š|
| 284 | G | 41 | Very low | 42.4 | Very low | 63 Ų | 63 | 117.7 Ų | 117.7 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | trans | -54.1 | 114.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L282 N286 | L282-G284 PolarHBondContact O-N 3.45Å; G284-N286 PolarHBondContact O-N 2.86Å; G284-N286 VanDerWaalsContact O-N 3.15Å; G284-N286 PolarHBondContact O-OD1 3.34Å |
| 285 | A | 45.1 | Very low | 42.1 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | | | trans | -65.8 | 113.6 | 171 | 0 | 0 | 0 | 0 | 0 | 107.6 | P283 S287 | P283-A285 PolarHBondContact O-N 2.97Å; A285-S287 PolarHBondContact O-N 3.45Å |
| 286 | N | 38 | Very low | 42.6 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -68.6 | 97.3 | 176.9 | -42.5 | -56.7 | 0 | 0 | 0 | 108 | G284 | G284-N286 PolarHBondContact O-N 2.86Å; G284-N286 VanDerWaalsContact O-N 3.15Å; G284-N286 PolarHBondContact O-OD1 3.34Å |
| 287 | S | 41.2 | Very low | 43 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | -141 | 104.9 | 166 | 52.6 | 0 | 0 | 0 | 0 | 108.1 | A285 G289 | A285-S287 PolarHBondContact O-N 3.45Å; S287-G289 PolarHBondContact O-N 3.46Å; S287-G289 VanDerWaalsContact O-N 3.14Å |
| 288 | E | 42.1 | Very low | 42.5 | Very low | 209 Ų | 209 | 116.8 Ų | 116.8 | 98% | 0.977 | 75% | 0.746 | S | S | * | * | | | trans | -51 | 109.3 | 171.1 | -83 | 148.4 | 122.3 | 0 | 0 | 110.4 | | |
| 289 | G | 39.8 | Very low | 42.9 | Very low | 64 Ų | 64 | 121 Ų | 121 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | trans | -169.2 | 117.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | S287 K291 | S287-G289 PolarHBondContact O-N 3.46Å; S287-G289 VanDerWaalsContact O-N 3.14Å; G289-K291 PolarHBondContact O-N 2.96Å; G289-K291 VanDerWaalsContact O-N 3.11Å |
| 290 | G | 38.9 | Very low | 42.9 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | -47 | 113.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G292 | G290-G292 PolarHBondContact O-N 2.97Š|
| 291 | K | 41.1 | Very low | 42.2 | Very low | 201 Ų | 201 | 117.9 Ų | 117.9 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 116.6 | 175.7 | -170.2 | 177.7 | -177.1 | -179.6 | 0 | 108.3 | G289 | G289-K291 PolarHBondContact O-N 2.96Å; G289-K291 VanDerWaalsContact O-N 3.11Å |
| 292 | G | 41 | Very low | 42.5 | Very low | 59 Ų | 59 | 122.7 Ų | 122.7 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 148.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G290 K294 | G290-G292 PolarHBondContact O-N 2.97Å; G292-K294 PolarHBondContact O-N 3.37Å |
| 293 | E | 43.8 | Very low | 42.7 | Very low | 199 Ų | 199 | 120.6 Ų | 120.6 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 125.1 | 177.4 | -68.5 | -173.5 | 114.7 | 0 | 0 | 110.1 | G295 | E293-G295 PolarHBondContact O-N 2.94Š|
| 294 | K | 47.2 | Very low | 42.2 | Very low | 193 Ų | 193 | 116.8 Ų | 116.8 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.8 | 175.3 | -174.6 | -176.3 | 178.1 | -172.6 | 0 | 108 | G292 | G292-K294 PolarHBondContact O-N 3.37Š|
| 295 | G | 38 | Very low | 42.6 | Very low | 61 Ų | 61 | 122.2 Ų | 122.2 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 143.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E293 | E293-G295 PolarHBondContact O-N 2.94Š|
| 296 | Q | 45.9 | Very low | 42.7 | Very low | 188 Ų | 188 | 123.9 Ų | 123.9 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141.5 | 178.8 | -65.6 | -175.6 | 27 | 0 | 0 | 110.2 | | |
| 297 | P | 48.5 | Very low | 42.7 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 142.7 | 171.8 | -22.9 | 33.1 | 0 | 0 | 0 | 111.2 | | |
| 298 | G | 38.4 | Very low | 43.2 | Very low | 62 Ų | 62 | 122 Ų | 122 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 159 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 299 | P | 45.2 | Very low | 43.8 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 150.8 | 177.4 | 26.6 | -34.1 | 0 | 0 | 0 | 111.4 | | |
| 300 | P | 46.2 | Very low | 44 | Very low | 127 Ų | 127 | 117 Ų | 117 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 145.2 | 172.6 | -23.4 | 33.3 | 0 | 0 | 0 | 112 | | |
| 301 | G | 36.8 | Very low | 44.8 | Very low | 51 Ų | 51 | 119.6 Ų | 119.6 | 53% | 0.526 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 155.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 302 | L | 44.1 | Very low | 45.5 | Very low | 160 Ų | 160 | 116 Ų | 116 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64 | 144.8 | 176.4 | -66.9 | 170.9 | 0 | 0 | 0 | 110.8 | | |
| 303 | P | 47.1 | Very low | 45.8 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 142.5 | 171.8 | -23 | 33.2 | 0 | 0 | 0 | 111.8 | | |
| 304 | G | 36.8 | Very low | 46 | Very low | 39 Ų | 39 | 114 Ų | 114 | 40% | 0.402 | 72% | 0.723 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 152.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 305 | E | 49.3 | Very low | 46 | Very low | 177 Ų | 177 | 111 Ų | 111 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.9 | 175.9 | -68.8 | -170.3 | 111.9 | 0 | 0 | 111.6 | | |
| 306 | P | 46.6 | Very low | 46.5 | Very low | 125 Ų | 125 | 117.5 Ų | 117.5 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 143.2 | 174.1 | -24.1 | 33.7 | 0 | 0 | 0 | 112.5 | | |
| 307 | G | 38.7 | Very low | 46.8 | Very low | 42 Ų | 42 | 115.2 Ų | 115.2 | 43% | 0.433 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 146.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 308 | L | 52.3 | Low | 47.2 | Very low | 161 Ų | 161 | 111.8 Ų | 111.8 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 140.2 | 174.2 | -70.6 | 166.7 | 0 | 0 | 0 | 110.6 | | |
| 309 | P | 54.5 | Low | 47.9 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.8 | 174.5 | -24.8 | 33.8 | 0 | 0 | 0 | 112.3 | | |
| 310 | G | 43.8 | Very low | 48 | Very low | 50 Ų | 50 | 114.9 Ų | 114.9 | 52% | 0.515 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 141.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 311 | T | 55.9 | Low | 48.2 | Very low | 133 Ų | 133 | 115 Ų | 115 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 134.9 | 174.5 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | G313 | T311-G313 PolarHBondContact O-N 2.99Š|
| 312 | P | 55.8 | Low | 49 | Very low | 124 Ų | 124 | 117 Ų | 117 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55 | 138 | 175 | -24.8 | 33.6 | 0 | 0 | 0 | 111.7 | M314 | P312-M314 PolarHBondContact O-N 2.84Š|
| 313 | G | 47.1 | Very low | 49.2 | Very low | 63 Ų | 63 | 112 Ų | 112 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T311 | T311-G313 PolarHBondContact O-N 2.99Š|
| 314 | M | 48.2 | Very low | 49.7 | Very low | 155 Ų | 155 | 116.6 Ų | 116.6 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 131 | 173.8 | -141.8 | 92.1 | 170 | 0 | 0 | 109.2 | P312 Y316 | P312-M314 PolarHBondContact O-N 2.84Å; M314-Y316 HydrophobicContact CB-CD2 4.33Å; M314-Y316 HydrophobicContact CB-CE2 3.93Å; M314-Y316 PolarHBondContact O-N 2.96Å |
| 315 | P | 47.7 | Very low | 50.9 | Low | 129 Ų | 129 | 120.5 Ų | 120.5 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | trans | -71.5 | 95.2 | 178.3 | 26.5 | -31.6 | 0 | 0 | 0 | 110.4 | | |
| 316 | Y | 48.6 | Very low | 50.6 | Low | 197 Ų | 197 | 114.3 Ų | 114.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | -83.5 | 145.4 | 156.2 | -67.4 | -85.6 | 0 | 0 | 0 | 108.2 | M314 G318 | M314-Y316 HydrophobicContact CB-CD2 4.33Å; M314-Y316 HydrophobicContact CB-CE2 3.93Å; M314-Y316 PolarHBondContact O-N 2.96Å; Y316-G318 PolarHBondContact O-N 3.05Å |
| 317 | S | 51.2 | Low | 50.9 | Low | 140 Ų | 140 | 112.3 Ų | 112.3 | 98% | 0.979 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -66.4 | 59.9 | -175.8 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 318 | G | 57.7 | Low | 51.7 | Low | 49 Ų | 49 | 116.4 Ų | 116.4 | 51% | 0.505 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -148.8 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y316 | Y316-G318 PolarHBondContact O-N 3.05Š|
| 319 | P | 52.4 | Low | 51.2 | Low | 117 Ų | 117 | 110.7 Ų | 110.7 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -55 | 142.6 | -179.3 | 20.9 | -30.8 | 0 | 0 | 0 | 111.4 | V321 | P319-V321 PolarHBondContact O-N 3.47Š|
| 320 | P | 47.3 | Very low | 50.9 | Low | 133 Ų | 133 | 112.8 Ų | 112.8 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | | | trans | -60.1 | 110.3 | -174.7 | 23.9 | -33.2 | 0 | 0 | 0 | 110.3 | | |
| 321 | V | 49.5 | Very low | 51.2 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -78 | 120.1 | 169 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | P319 G323 | P319-V321 PolarHBondContact O-N 3.47Å; V321-G323 PolarHBondContact O-N 3.29Å |
| 322 | A | 54.7 | Low | 50.4 | Low | 92 Ų | 92 | 112 Ų | 112 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 128.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 323 | G | 48 | Very low | 50.1 | Low | 56 Ų | 56 | 115 Ų | 115 | 58% | 0.577 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 146.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | V321 | V321-G323 PolarHBondContact O-N 3.29Š|
| 324 | Y | 58.6 | Low | 50.4 | Low | 218 Ų | 218 | 117.7 Ų | 117.7 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 142.4 | 175.9 | -67.5 | -81.3 | 0 | 0 | 0 | 110.8 | G326 | Y324-G326 PolarHBondContact O-N 2.94Š|
| 325 | P | 60.1 | Low | 50.2 | Low | 122 Ų | 122 | 112.7 Ų | 112.7 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 139.3 | 170.4 | -25.6 | 34.1 | 0 | 0 | 0 | 111.2 | | |
| 326 | G | 44.9 | Very low | 50.3 | Low | 46 Ų | 46 | 112.8 Ų | 112.8 | 47% | 0.474 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 150.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y324 | Y324-G326 PolarHBondContact O-N 2.94Š|
| 327 | A | 52.9 | Low | 50.3 | Low | 84 Ų | 84 | 108.9 Ų | 108.9 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 144.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 328 | P | 54.5 | Low | 50 | Low | 127 Ų | 127 | 104.6 Ų | 104.6 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -52 | 142 | 172.6 | -25.7 | 34.2 | 0 | 0 | 0 | 111.6 | | |
| 329 | G | 41.2 | Very low | 49.6 | Very low | 42 Ų | 42 | 108.3 Ų | 108.3 | 43% | 0.433 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 149.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 330 | Q | 49 | Very low | 49.6 | Very low | 162 Ų | 162 | 107 Ų | 107 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 140.3 | 174.7 | -66.5 | -173.5 | 42.7 | 0 | 0 | 109.5 | G332 | Q330-G332 PolarHBondContact O-N 3.4Š|
| 331 | P | 50.4 | Low | 49.5 | Very low | 126 Ų | 126 | 103.3 Ų | 103.3 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 140.7 | 170.5 | -24.3 | 33.8 | 0 | 0 | 0 | 110.8 | | |
| 332 | G | 38.9 | Very low | 49.4 | Very low | 41 Ų | 41 | 102.9 Ų | 102.9 | 42% | 0.423 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 151.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q330 | Q330-G332 PolarHBondContact O-N 3.4Š|
| 333 | E | 50 | Low | 49.4 | Very low | 185 Ų | 185 | 103.4 Ų | 103.4 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.1 | 173.6 | -64.5 | -167.1 | 124.7 | 0 | 0 | 110.2 | G335 | E333-G335 PolarHBondContact O-N 3.48Š|
| 334 | P | 52.3 | Low | 49.4 | Very low | 120 Ų | 120 | 103.2 Ų | 103.2 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140.5 | 171 | -24.4 | 34 | 0 | 0 | 0 | 111 | | |
| 335 | G | 43.6 | Very low | 48.9 | Very low | 51 Ų | 51 | 98.3 Ų | 98.3 | 53% | 0.526 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 158.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | E333 | E333-G335 PolarHBondContact O-N 3.48Š|
| 336 | P | 51.1 | Low | 48.6 | Very low | 131 Ų | 131 | 96.7 Ų | 96.7 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 144.5 | 175.8 | 26.7 | -34.3 | 0 | 0 | 0 | 111 | G338 | P336-G338 PolarHBondContact O-N 3.12Š|
| 337 | Q | 47.9 | Very low | 48.9 | Very low | 115 Ų | 115 | 97.1 Ų | 97.1 | 54% | 0.537 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 135.4 | 173 | 176.2 | 166.2 | 49.5 | 0 | 0 | 110.2 | D198 | D198-Q337 VanDerWaalsContact OD1-CB 3.25Å; D198-Q337 WeakPolarHBondContact OD1-CB 3.49Å; D198-Q337 WeakPolarHBondContact OD1-CG 3.45Å; D198-Q337 PolarHBondContact OD1-NE2 2.9Å |
| 338 | G | 44.2 | Very low | 48.7 | Very low | 50 Ų | 50 | 99.3 Ų | 99.3 | 52% | 0.515 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 156.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P336 | P336-G338 PolarHBondContact O-N 3.12Š|
| 339 | P | 50 | Low | 48.4 | Very low | 126 Ų | 126 | 98.8 Ų | 98.8 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 152 | 176.5 | 26.6 | -34.5 | 0 | 0 | 0 | 111.7 | | |
| 340 | P | 51.9 | Low | 48.6 | Very low | 90 Ų | 90 | 99.6 Ų | 99.6 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | | | trans | -45.9 | 141.5 | 169.1 | -34.2 | 39.8 | 0 | 0 | 0 | 113.2 | D195 | D195-P340 WeakPolarHBondContact OD1-CB 3.34Å; D195-P340 WeakPolarHBondContact OD1-CG 3.33Å |
| 341 | G | 46.3 | Very low | 48.5 | Very low | 55 Ų | 55 | 100.7 Ų | 100.7 | 57% | 0.567 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 156 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 342 | P | 47.8 | Very low | 48.4 | Very low | 121 Ų | 121 | 99.7 Ų | 99.7 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 151.8 | 172.6 | 27 | -34.2 | 0 | 0 | 0 | 111 | | |
| 343 | P | 54.1 | Low | 48.6 | Very low | 103 Ų | 103 | 101.3 Ų | 101.3 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 141.5 | 173.1 | -25.3 | 34.2 | 0 | 0 | 0 | 111.8 | | |
| 344 | G | 48.2 | Very low | 48.3 | Very low | 52 Ų | 52 | 103.6 Ų | 103.6 | 54% | 0.536 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 158.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 345 | P | 48.3 | Very low | 47.7 | Very low | 116 Ų | 116 | 104.7 Ų | 104.7 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 150.2 | 172.5 | 26.7 | -34 | 0 | 0 | 0 | 110.7 | G347 | P345-G347 PolarHBondContact O-N 3.1Š|
| 346 | A | 54.1 | Low | 47.5 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 72% | 0.719 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 139.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 347 | G | 49.9 | Very low | 46.9 | Very low | 55 Ų | 55 | 108.4 Ų | 108.4 | 57% | 0.567 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 158.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P345 | P345-G347 PolarHBondContact O-N 3.1Š|
| 348 | P | 48.9 | Very low | 46.4 | Very low | 130 Ų | 130 | 114 Ų | 114 | 84% | 0.844 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 148.4 | 174.1 | 26.3 | -33.8 | 0 | 0 | 0 | 111 | G350 | P348-G350 PolarHBondContact O-N 2.92Š|
| 349 | L | 49 | Very low | 45.9 | Very low | 117 Ų | 117 | 116 Ų | 116 | 61% | 0.613 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.6 | 173.4 | -173.8 | 69.4 | 0 | 0 | 0 | 109.3 | P186 | P186-L349 HydrophobicContact CB-CD1 3.91Å; P186-L349 HydrophobicContact CG-CD1 3.92Å |
| 350 | G | 44.3 | Very low | 45.5 | Very low | 58 Ų | 58 | 116.3 Ų | 116.3 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P348 | P348-G350 PolarHBondContact O-N 2.92Š|
| 351 | E | 47.7 | Very low | 44.6 | Very low | 186 Ų | 186 | 116.8 Ų | 116.8 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 142.2 | 174.4 | -66.1 | -175.5 | 118.8 | 0 | 0 | 110.4 | G353 | E351-G353 PolarHBondContact O-N 3.01Š|
| 352 | P | 48.6 | Very low | 44.3 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126.5 | 172.6 | -24.6 | 33.6 | 0 | 0 | 0 | 110.5 | R354 | P352-R354 PolarHBondContact O-N 3.28Š|
| 353 | G | 42.9 | Very low | 43.8 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E351 D355 | E351-G353 PolarHBondContact O-N 3.01Å; G353-D355 PolarHBondContact O-N 2.72Å |
| 354 | R | 43.5 | Very low | 43.1 | Very low | 232 Ų | 232 | 127.7 Ų | 127.7 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -63.5 | 114.9 | 164.2 | -74.9 | -176.6 | 176.9 | -176.2 | -1 | 107.9 | P352 | P352-R354 PolarHBondContact O-N 3.28Š|
| 355 | D | 39.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 63.1 | 94.3 | 154 | -39.8 | -33.8 | 0 | 0 | 0 | 117.4 | G353 Q357 | G353-D355 PolarHBondContact O-N 2.72Å; D355-Q357 PolarHBondContact O-N 2.94Å |
| 356 | G | 39.5 | Very low | 43.2 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | S | Bend | | 88.5 | 6.7 | 118.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 357 | Q | 38.6 | Very low | 43 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -111.4 | 8.1 | 179.8 | -82.8 | 164.5 | 0.8 | 0 | 0 | 116.6 | D355 | D355-Q357 PolarHBondContact O-N 2.94Š|
| 358 | Y | 37.5 | Very low | 43.1 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | | | trans | -117.6 | 51.6 | 172.8 | -68.8 | -88.3 | 0 | 0 | 0 | 111.7 | | |
| 359 | C | 34.2 | Very low | 44 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | | | trans | -107.3 | 118.1 | 152.7 | -75.8 | 0 | 0 | 0 | 0 | 106.7 | C361 | C359-C361 PolarHBondContact O-N 3.05Š|
| 360 | P | 41.5 | Very low | 44.8 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -75.7 | 72.6 | 174.2 | 33.2 | -31.7 | 0 | 0 | 0 | 107.8 | | |
| 361 | C | 32.3 | Very low | 45.4 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 68% | 0.676 | 81% | 0.81 | S | S | * | * | | | trans | -99.7 | 121.4 | 171.3 | -60.1 | 0 | 0 | 0 | 0 | 107.6 | C359 T363 | C359-C361 PolarHBondContact O-N 3.05Å; C361-T363 PolarHBondContact O-N 3.21Å |
| 362 | P | 41.3 | Very low | 45.7 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -60.6 | 134.4 | -176 | 24.2 | -32 | 0 | 0 | 0 | 110.2 | R364 | P362-R364 PolarHBondContact O-N 2.73Š|
| 363 | T | 36.6 | Very low | 45.7 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -35.3 | 105.8 | 179.1 | 43.2 | 0 | 0 | 0 | 0 | 112.9 | C361 | C361-T363 PolarHBondContact O-N 3.21Š|
| 364 | R | 40 | Very low | 45.6 | Very low | 246 Ų | 246 | 149.5 Ų | 149.5 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 134.7 | 168 | -78.2 | -160.5 | -170.7 | -150.2 | 5.6 | 109.8 | P362 | P362-R364 PolarHBondContact O-N 2.73Š|
| 365 | R | 47.2 | Very low | 45.7 | Very low | 231 Ų | 231 | 147.7 Ų | 147.7 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 151.3 | -176.5 | -60.6 | 176.7 | -170.1 | 169.9 | 2.6 | 112.3 | A367 | R365-A367 PolarHBondContact O-N 2.83Š|
| 366 | P | 51.4 | Low | 45.8 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 126.4 | 169.6 | -20.8 | 31.8 | 0 | 0 | 0 | 110.3 | | |
| 367 | A | 48.9 | Very low | 45.5 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 136.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R365 | R365-A367 PolarHBondContact O-N 2.83Š|
| 368 | E | 52.6 | Low | 45.6 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.2 | 175.8 | -148.6 | 166.7 | 156.3 | 0 | 0 | 110.9 | | |
| 369 | P | 67.8 | Low | 45.9 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 147.5 | 179 | 26.4 | -32.5 | 0 | 0 | 0 | 111.6 | | |
| 370 | P | 64.5 | Low | 46.3 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.2 | -176.5 | 26.3 | -34.5 | 0 | 0 | 0 | 112.4 | | |
| 371 | P | 58.3 | Low | 46.3 | Very low | 127 Ų | 127 | 151 Ų | 151 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 136.7 | 178.7 | 25.9 | -32.6 | 0 | 0 | 0 | 112.3 | | |
| 372 | S | 54.5 | Low | 46.8 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 140.7 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | Y374 | S372-Y374 PolarHBondContact O-N 2.82Å; S372-Y374 VanDerWaalsContact O-N 3.09Å |
| 373 | P | 46.9 | Very low | 46.9 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -87.7 | 73.9 | -169.6 | 35.6 | -34.6 | 0 | 0 | 0 | 112.1 | | |
| 374 | Y | 42.3 | Very low | 46.9 | Very low | 215 Ų | 215 | 155.3 Ų | 155.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -158.8 | 99 | 163.2 | -93.2 | -80.6 | 0 | 0 | 0 | 110.5 | S372 | S372-Y374 PolarHBondContact O-N 2.82Å; S372-Y374 VanDerWaalsContact O-N 3.09Å |
| 375 | Q | 45.4 | Very low | 47.1 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | | -177.2 | 147.9 | 128.5 | -100.3 | -178.9 | -8.5 | 0 | 0 | 112.2 | | |
| 376 | P | 40.3 | Very low | 47 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -91.5 | 149.6 | -155 | 35.6 | -34.1 | 0 | 0 | 0 | 114.7 | | |
| 377 | Q | 34.4 | Very low | 46.4 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 36.6 | 115.9 | 148.1 | -63.7 | -149.4 | -3.2 | 0 | 0 | 120.2 | | |
| 378 | Q | 40.5 | Very low | 45.9 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | | -163.4 | 102.9 | 121.8 | -105.5 | 154.6 | 22.4 | 0 | 0 | 108.3 | | |
| 379 | Q | 43.4 | Very low | 45.9 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | | 63.4 | 113.7 | 109.5 | -78 | 176.3 | 7.1 | 0 | 0 | 111.8 | | |
| 380 | R | 42.4 | Very low | 45.1 | Very low | 221 Ų | 221 | 143 Ų | 143 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | | 169.1 | 174.6 | 69.8 | -122.5 | -172 | -143.5 | -149 | 4.3 | 109.4 | | |
| 381 | P | 41.4 | Very low | 44.3 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | | -130.2 | -172.1 | -89.7 | 37.3 | -16.1 | 0 | 0 | 0 | 114.4 | | |
| 382 | V | 41.9 | Very low | 43.6 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | 72.8 | 135.6 | 158.5 | -124 | 0 | 0 | 0 | 0 | 114.7 | | |
| 383 | I | 44.7 | Very low | 43.3 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | cis | -156.1 | 140.9 | 41 | -52 | 172 | 0 | 0 | 0 | 109.7 | | |
| 384 | M | 36.6 | Very low | 43.3 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | | | trans | -57.9 | 153.7 | 167.7 | -73.1 | 168.5 | 162.6 | 0 | 0 | 110.5 | | |
| 385 | E | 44.8 | Very low | 43 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | | 178.8 | 127.8 | 86.2 | -87.3 | -158 | 125.9 | 0 | 0 | 111.1 | | |
| 386 | N | 43.2 | Very low | 43.2 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | | | | 78.8 | 110.5 | 128.2 | -60.3 | -19.8 | 0 | 0 | 0 | 119.1 | | |
| 387 | F | 39.8 | Very low | 43.3 | Very low | 201 Ų | 201 | 145 Ų | 145 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | | | | 53.9 | 115 | 99.1 | -63.8 | -73.9 | 0 | 0 | 0 | 111.3 | | |
| 388 | G | 37.4 | Very low | 43.7 | Very low | 66 Ų | 66 | 145.6 Ų | 145.6 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | cis | 165.5 | -174.5 | 30.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 389 | P | 53.5 | Low | 43.4 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | trans | -102 | -147.6 | -152.6 | 44.2 | -36.6 | 0 | 0 | 0 | 110.2 | | |
| 390 | P | 51.2 | Low | 43.3 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | | | cis | -120.4 | -165.7 | -23.2 | 31.4 | -8.7 | 0 | 0 | 0 | 109 | | |
| 391 | V | 48 | Very low | 43 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | | -169.1 | 133.1 | 81.8 | -154.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 392 | F | 43.8 | Very low | 43 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | -45.9 | -171.8 | 161.5 | -67.5 | -90.2 | 0 | 0 | 0 | 115.6 | | |
| 393 | P | 47.2 | Very low | 43.1 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | cis | -131.2 | 176.1 | -9.9 | 17.3 | 9.7 | 0 | 0 | 0 | 110.8 | | |
| 394 | T | 46.4 | Very low | 43 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | | 163.8 | 119.6 | 63.3 | -9.7 | 0 | 0 | 0 | 0 | 101 | | |
| 395 | L | 37.7 | Very low | 43.3 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | | 50.7 | 80.8 | 52 | -101.3 | 169.6 | 0 | 0 | 0 | 115 | | |
| 396 | H | 49.1 | Very low | 43.2 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | | | trans | -166.3 | 123.8 | 144.4 | -112 | -97.1 | 0 | 0 | 0 | 103.8 | | |
| 397 | H | 43.1 | Very low | 43.2 | Very low | 161 Ų | 161 | 156.3 Ų | 156.3 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | | | cis | -161.5 | 117.8 | 33.9 | -163.6 | 53.1 | 0 | 0 | 0 | 108.5 | | |
| 398 | F | 41.5 | Very low | 43.5 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | -65.2 | 129.4 | 162.2 | -118.8 | -99.4 | 0 | 0 | 0 | 108.3 | R400 | F398-R400 PolarHBondContact O-N 3.23Å; F398-R400 VanDerWaalsContact O-N 3.16Å |
| 399 | Q | 34.3 | Very low | 43.9 | Very low | 189 Ų | 189 | 159.6 Ų | 159.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -77.8 | 94.6 | 171.3 | -155.8 | 172.7 | -2.2 | 0 | 0 | 108.5 | | |
| 400 | R | 42.2 | Very low | 43.2 | Very low | 222 Ų | 222 | 162.5 Ų | 162.5 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | trans | -102.1 | 114 | 152.2 | -101.9 | -170.5 | 176 | 178.9 | -0.5 | 105.5 | F398 | F398-R400 PolarHBondContact O-N 3.23Å; F398-R400 VanDerWaalsContact O-N 3.16Å |
| 401 | I | 36 | Very low | 42.5 | Very low | 154 Ų | 154 | 168 Ų | 168 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | | | | 54.2 | 81.2 | 98.5 | -53.5 | 171.2 | 0 | 0 | 0 | 111.3 | | |
| 402 | L | 40.9 | Very low | 42 | Very low | 241 Ų | 241 | 171.4 Ų | 171.4 | 100% | 1.262 | 83% | 0.832 | S | S | * | * | | | | -153.3 | 0 | 112.6 | -99.1 | 167.1 | 0 | 0 | 0 | 108.7 | | |