| 1 | M | 57.9 | Low | 55.2 | Low | 250 Ų | 250 | 139.2 Ų | 139.2 | 100% | 1.232 | 72% | 0.724 | S | S | * | * | | | | 0 | 76.4 | 0 | -71.5 | -173.7 | -92.4 | 0 | 0 | 110.3 | | |
| 2 | A | 56 | Low | 55.1 | Low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | | | trans | -140.5 | -3.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 3 | A | 56.9 | Low | 54.9 | Low | 87 Ų | 87 | 138.4 Ų | 138.4 | 72% | 0.719 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -91 | -17.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 4 | L | 56.7 | Low | 54.8 | Low | 150 Ų | 150 | 140.9 Ų | 140.9 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -91.3 | -5.2 | -175.4 | -66.2 | 175.8 | 0 | 0 | 0 | 114.7 | | |
| 5 | F | 54 | Low | 54.7 | Low | 159 Ų | 159 | 143.6 Ų | 143.6 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -89.5 | -22.8 | 178.4 | -164.6 | -103.5 | 0 | 0 | 0 | 113.3 | | |
| 6 | N | 54.3 | Low | 54.5 | Low | 124 Ų | 124 | 145.7 Ų | 145.7 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -83.6 | -14.2 | -179.2 | -91.2 | -65.6 | 0 | 0 | 0 | 114.4 | | |
| 7 | E | 55.5 | Low | 54.3 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 53% | 0.533 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -81.8 | -30.6 | 176.8 | -151.7 | -174 | 134.4 | 0 | 0 | 112.4 | L9 R10 K11 | E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 2.95Å; E7-R10 PolarHBondContact O-N 3.01Å; E7-K11 IonicContact OE1-NZ 2.64Å; E7-K11 PolarHBondContact OE1-NZ 2.75Å |
| 8 | S | 55.3 | Low | 53.9 | Low | 75 Ų | 75 | 142 Ų | 142 | 52% | 0.524 | 75% | 0.746 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -23.4 | 179.9 | -66.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 9 | L | 51.3 | Low | 53.4 | Low | 120 Ų | 120 | 140.9 Ų | 140.9 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -9.5 | 177.9 | -68.1 | -177.5 | 0 | 0 | 0 | 114.4 | E7 | E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 2.95Å |
| 10 | R | 55.1 | Low | 52.7 | Low | 212 Ų | 212 | 141.2 Ų | 141.2 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -25.6 | 168.6 | -85.5 | -174.9 | 173.8 | 160.3 | -0.8 | 113.4 | E7 V12 | E7-R10 PolarHBondContact O-N 3.01Å; R10-V12 PolarHBondContact O-N 3.27Å |
| 11 | K | 54.6 | Low | 52.5 | Low | 153 Ų | 153 | 140.8 Ų | 140.8 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 4.1 | -175.8 | -76.1 | 172.3 | 174.3 | 155.5 | 0 | 115.4 | E7 | E7-K11 IonicContact OE1-NZ 2.64Å; E7-K11 PolarHBondContact OE1-NZ 2.75Å |
| 12 | V | 53.7 | Low | 51.8 | Low | 117 Ų | 117 | 137 Ų | 137 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -12.5 | 177.6 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | R10 | R10-V12 PolarHBondContact O-N 3.27Š|
| 13 | N | 52 | Low | 51.3 | Low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -109.6 | 28.4 | -174.5 | -163.3 | 74.4 | 0 | 0 | 0 | 114.1 | | |
| 14 | E | 54.4 | Low | 50.6 | Low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | | | trans | -136.7 | 24.3 | -180 | -146.4 | 165 | -140.3 | 0 | 0 | 112.8 | Q16 | E14-Q16 PolarHBondContact O-N 3.06Š|
| 15 | Q | 52.3 | Low | 50.1 | Low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | | | trans | -98.5 | 54.1 | 171.7 | -145.6 | 85.3 | 77 | 0 | 0 | 111 | | |
| 16 | Q | 51.5 | Low | 49.6 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | | | trans | -67.3 | 135.2 | 162.5 | -126.6 | 168.1 | -0.4 | 0 | 0 | 107.6 | E14 | E14-Q16 PolarHBondContact O-N 3.06Š|
| 17 | P | 50.9 | Low | 49 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | | | trans | -61.3 | 144.5 | 175 | 27.1 | -34.3 | 0 | 0 | 0 | 109.1 | T19 | P17-T19 PolarHBondContact O-N 3.39Š|
| 18 | P | 47.8 | Very low | 48.6 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | -60.7 | 115.1 | 179.4 | 25.3 | -33.4 | 0 | 0 | 0 | 109.1 | I20 | P18-I20 PolarHBondContact O-N 3.1Š|
| 19 | T | 43.7 | Very low | 48 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -62.4 | 106 | 164.9 | 44.4 | 0 | 0 | 0 | 0 | 107.4 | P17 I21 | P17-T19 PolarHBondContact O-N 3.39Å; T19-I21 VanDerWaalsContact C-N 3.26Å; T19-I21 PolarHBondContact O-N 3.07Å |
| 20 | I | 41.1 | Very low | 47.8 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | | | trans | -64.3 | 97.2 | 164.5 | -60 | 172.2 | 0 | 0 | 0 | 105.4 | P18 E22 | P18-I20 PolarHBondContact O-N 3.1Å; I20-E22 VanDerWaalsContact C-N 3.34Å; I20-E22 HydrophobicContact CG2-CG 3.96Å; I20-E22 PolarHBondContact O-N 3.28Å |
| 21 | I | 47.3 | Very low | 47.5 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | trans | -71.3 | 102.9 | 158.6 | -60 | 174.1 | 0 | 0 | 0 | 103.6 | T19 E23 | T19-I21 VanDerWaalsContact C-N 3.26Å; T19-I21 PolarHBondContact O-N 3.07Å; I21-E23 HydrophobicContact CG2-CG 4.27Å; I21-E23 PolarHBondContact O-N 3.37Å |
| 22 | E | 44 | Very low | 47.1 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | | | trans | -65.5 | 95 | 163.7 | -69.2 | -170.2 | 158.8 | 0 | 0 | 106.6 | I20 D24 | I20-E22 VanDerWaalsContact C-N 3.34Å; I20-E22 HydrophobicContact CG2-CG 3.96Å; I20-E22 PolarHBondContact O-N 3.28Å; E22-D24 PolarHBondContact O-N 3.27Å |
| 23 | E | 45.4 | Very low | 47 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | | | trans | -64.9 | 92.9 | 160.2 | -69.4 | -165.8 | 155.8 | 0 | 0 | 106.7 | I21 E25 | I21-E23 HydrophobicContact CG2-CG 4.27Å; I21-E23 PolarHBondContact O-N 3.37Å; E23-E25 PolarHBondContact O-N 3.22Å |
| 24 | D | 41.5 | Very low | 47.2 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | | | trans | -63.3 | 84.8 | 169.4 | -177.8 | 25.4 | 0 | 0 | 0 | 108.4 | E22 T26 | E22-D24 PolarHBondContact O-N 3.27Å; D24-T26 PolarHBondContact O-N 3.05Å; D24-T26 PolarHBondContact O-OG1 3.14Å; D24-T26 WeakPolarHBondContact OD2-CG2 3.39Å |
| 25 | E | 45.8 | Very low | 47.2 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | -63.6 | 62 | 165.6 | -104.1 | -87.8 | 122.9 | 0 | 0 | 109.1 | E23 P27 | E23-E25 PolarHBondContact O-N 3.22Å; E25-P27 VanDerWaalsContact O-CD 3.26Å; E25-P27 WeakPolarHBondContact O-CD 3.25Å |
| 26 | T | 43.2 | Very low | 47.1 | Very low | 89 Ų | 89 | 139 Ų | 139 | 55% | 0.546 | 73% | 0.732 | S | S | . | * | | | trans | -60.9 | 114.5 | 164.9 | 26.2 | 0 | 0 | 0 | 0 | 106.7 | D24 K28 | D24-T26 PolarHBondContact O-N 3.05Å; D24-T26 PolarHBondContact O-OG1 3.14Å; D24-T26 WeakPolarHBondContact OD2-CG2 3.39Å; T26-K28 PolarHBondContact O-N 3.35Å |
| 27 | P | 43.1 | Very low | 47.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | | | trans | -61.2 | 115.3 | -179.2 | 23.7 | -32.6 | 0 | 0 | 0 | 108.1 | E25 R29 | E25-P27 VanDerWaalsContact O-CD 3.26Å; E25-P27 WeakPolarHBondContact O-CD 3.25Å; P27-R29 PolarHBondContact O-N 3Å |
| 28 | K | 45.9 | Very low | 46.6 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | | | trans | -45 | 106.3 | -176.7 | -77.7 | 175.9 | 178.7 | 164.9 | 0 | 109.6 | T26 A30 | T26-K28 PolarHBondContact O-N 3.35Å; K28-A30 PolarHBondContact O-N 3.49Å |
| 29 | R | 43.3 | Very low | 46.2 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | | | trans | -61.1 | 99.6 | -175.7 | -169.3 | -176.8 | -155.4 | 164.8 | 12.4 | 108.4 | P27 N31 | P27-R29 PolarHBondContact O-N 3Å; R29-N31 PolarHBondContact O-N 3.03Å |
| 30 | A | 47.3 | Very low | 46.3 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | | | trans | -50.4 | 134.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | K28 R32 | K28-A30 PolarHBondContact O-N 3.49Å; A30-R32 PolarHBondContact O-N 3.04Å |
| 31 | N | 49 | Very low | 46.6 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | | | trans | -41.6 | 108 | -168.1 | -69.4 | -52.4 | 0 | 0 | 0 | 112.4 | R29 | R29-N31 PolarHBondContact O-N 3.03Š|
| 32 | R | 46.1 | Very low | 46.6 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | | | trans | -65.3 | 122.6 | 172.5 | 179.8 | -176.6 | -106.1 | -171.2 | -8.4 | 107.2 | A30 | A30-R32 PolarHBondContact O-N 3.04Š|
| 33 | P | 51.4 | Low | 46.7 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | -61 | 146.4 | 176.9 | 25.3 | -33.3 | 0 | 0 | 0 | 110.1 | D35 | P33-D35 PolarHBondContact O-N 3.34Š|
| 34 | P | 56.6 | Low | 46.3 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -2.2 | -162.4 | 25.6 | -35 | 0 | 0 | 0 | 116.3 | L36 | P34-L36 PolarHBondContact O-N 2.96Š|
| 35 | D | 53.7 | Low | 46.1 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 7 | -164 | -157.1 | 28.5 | 0 | 0 | 0 | 115.7 | P33 | P33-D35 PolarHBondContact O-N 3.34Š|
| 36 | L | 50.7 | Low | 45.7 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 60% | 0.602 | 73% | 0.73 | S | S | * | * | | | trans | -132.7 | 46.4 | 179 | -73 | 174.5 | 0 | 0 | 0 | 112.8 | P34 G38 | P34-L36 PolarHBondContact O-N 2.96Å; L36-G38 VanDerWaalsContact C-N 3.34Å |
| 37 | Q | 50.4 | Low | 45.6 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | | | trans | -83.5 | -7 | 171.2 | -63.4 | -172.4 | 50.8 | 0 | 0 | 113.6 | | |
| 38 | G | 41.7 | Very low | 45.1 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -86.1 | -13.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L36 | L36-G38 VanDerWaalsContact C-N 3.34Š|
| 39 | F | 39.4 | Very low | 44.5 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | | | trans | -120.1 | 79.1 | -175.7 | -68.2 | -78 | 0 | 0 | 0 | 111.6 | I41 | F39-I41 PolarHBondContact O-N 3.23Š|
| 40 | S | 44.9 | Very low | 43.9 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | trans | -70 | 101.1 | 154.6 | -65.6 | 0 | 0 | 0 | 0 | 107.9 | L42 | S40-L42 PolarHBondContact O-N 3.38Å; S40-L42 VanDerWaalsContact O-N 3.13Å |
| 41 | I | 48.8 | Very low | 43.5 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -57.6 | 118 | 156.8 | -70.3 | 169.9 | 0 | 0 | 0 | 105.3 | F39 D43 | F39-I41 PolarHBondContact O-N 3.23Å; I41-D43 PolarHBondContact O-N 2.84Å; I41-D43 VanDerWaalsContact O-N 3.14Å |
| 42 | L | 45.8 | Very low | 42.9 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | -68.7 | 110.9 | 175 | -154.1 | 68.5 | 0 | 0 | 0 | 105.7 | S40 E44 | S40-L42 PolarHBondContact O-N 3.38Å; S40-L42 VanDerWaalsContact O-N 3.13Å; L42-E44 HydrophobicContact CB-CG 4.22Å; L42-E44 HydrophobicContact CD2-CG 3.78Å; L42-E44 HydrophobicContact CG-CG 4.01Å; L42-E44 PolarHBondContact O-N 3.29Å |
| 43 | D | 45.7 | Very low | 42.9 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | -67.5 | 72.7 | 167.6 | -86.4 | -59.7 | 0 | 0 | 0 | 108.2 | I41 K45 | I41-D43 PolarHBondContact O-N 2.84Å; I41-D43 VanDerWaalsContact O-N 3.14Å; D43-K45 PolarHBondContact O-N 2.87Å |
| 44 | E | 37.8 | Very low | 42.5 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | | | trans | -67.5 | 85.9 | 169.8 | -74.3 | -166.7 | 150.5 | 0 | 0 | 107.9 | L42 W46 | L42-E44 HydrophobicContact CB-CG 4.22Å; L42-E44 HydrophobicContact CD2-CG 3.78Å; L42-E44 HydrophobicContact CG-CG 4.01Å; L42-E44 PolarHBondContact O-N 3.29Å; E44-W46 PolarHBondContact O-N 2.89Å |
| 45 | K | 37.3 | Very low | 41.6 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -57.7 | 91.5 | 164.2 | -174.9 | 166.2 | -176.1 | 170.7 | 0 | 107.7 | D43 R47 | D43-K45 PolarHBondContact O-N 2.87Å; K45-R47 VanDerWaalsContact C-N 3.26Å; K45-R47 PolarHBondContact O-N 3.43Å |
| 46 | W | 38.4 | Very low | 41.4 | Very low | 213 Ų | 213 | 144 Ų | 144 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | | | trans | -54.9 | 90.8 | 171.6 | -77.1 | 86.2 | 0 | 0 | 0 | 108.9 | E44 S48 | E44-W46 PolarHBondContact O-N 2.89Å; W46-S48 VanDerWaalsContact C-N 3.32Å; W46-S48 PolarHBondContact O-N 2.98Å |
| 47 | R | 41.1 | Very low | 41 | Very low | 220 Ų | 220 | 143.6 Ų | 143.6 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -69.5 | 95.5 | 168.3 | -77.8 | -175.2 | 68 | -174.5 | 0.6 | 106.9 | K45 S49 | K45-R47 VanDerWaalsContact C-N 3.26Å; K45-R47 PolarHBondContact O-N 3.43Å; R47-S49 PolarHBondContact O-N 3.19Å |
| 48 | S | 32.1 | Very low | 40.4 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -52.9 | 109.8 | 158.6 | -62.1 | 0 | 0 | 0 | 0 | 108.2 | W46 C50 | W46-S48 VanDerWaalsContact C-N 3.32Å; W46-S48 PolarHBondContact O-N 2.98Å; S48-C50 VanDerWaalsContact C-N 3.28Å; S48-C50 PolarHBondContact O-N 3.28Å |
| 49 | S | 33.5 | Very low | 40.5 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -74.2 | 85.4 | 172.7 | -68.3 | 0 | 0 | 0 | 0 | 109.5 | R47 | R47-S49 PolarHBondContact O-N 3.19Š|
| 50 | C | 30.1 | Very low | 40.3 | Very low | 115 Ų | 115 | 145 Ų | 145 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -105.4 | 130.2 | 159.8 | -67.5 | 0 | 0 | 0 | 0 | 107.9 | S48 | S48-C50 VanDerWaalsContact C-N 3.28Å; S48-C50 PolarHBondContact O-N 3.28Å |
| 51 | S | 39.3 | Very low | 39.8 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | 0.6 | 121.3 | 171.1 | -72.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 52 | D | 35.9 | Very low | 39 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | | -153.4 | 133.2 | 108.8 | -124.3 | -23.9 | 0 | 0 | 0 | 110.3 | | |
| 53 | D | 45.7 | Very low | 38.4 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -125.8 | 78.4 | -174.9 | -145.3 | -23.9 | 0 | 0 | 0 | 107.8 | | |
| 54 | S | 44.4 | Very low | 37.8 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -171.2 | 94.9 | 173 | -78.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 55 | D | 37.5 | Very low | 37.6 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | | -165.1 | 121.4 | 129.8 | -114.5 | -27.8 | 0 | 0 | 0 | 111.3 | | |
| 56 | D | 48.9 | Very low | 37.6 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -99.1 | 98.8 | 178.2 | -170.1 | -14.8 | 0 | 0 | 0 | 108.6 | | |
| 57 | S | 41.8 | Very low | 37.3 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -161 | 95.1 | 173 | -84 | 0 | 0 | 0 | 0 | 112.2 | P59 | S57-P59 WeakPolarHBondContact O-CD 3.49Š|
| 58 | L | 39.2 | Very low | 36.9 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 123.4 | 165.6 | -65.1 | 175.5 | 0 | 0 | 0 | 110.6 | | |
| 59 | P | 42.1 | Very low | 37.2 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 127.2 | 162.4 | 31 | -29.5 | 0 | 0 | 0 | 110.4 | S57 | S57-P59 WeakPolarHBondContact O-CD 3.49Š|
| 60 | V | 35.9 | Very low | 37.9 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.9 | 168.5 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 61 | G | 34.3 | Very low | 37.9 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | -80.8 | 174.1 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 62 | S | 31.8 | Very low | 37.7 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -141.4 | 116.2 | 165.9 | 50 | 0 | 0 | 0 | 0 | 112.5 | | |
| 63 | Y | 33.5 | Very low | 37.8 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | trans | 36.9 | 117.1 | 144.9 | -62 | -84.6 | 0 | 0 | 0 | 122.7 | | |
| 64 | I | 34 | Very low | 37.1 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | | 41.1 | 121.1 | 114.6 | -54.4 | 178.4 | 0 | 0 | 0 | 115.8 | | |
| 65 | S | 33 | Very low | 36.7 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | | -172.8 | 151.3 | 62 | -152.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 66 | T | 37.7 | Very low | 36.5 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | 38.1 | 113.7 | 143 | 53.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 67 | A | 31.4 | Very low | 36 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | | -164.1 | 155.4 | 121.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 68 | E | 33.6 | Very low | 35.6 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -74.9 | 131.2 | -160.4 | -58.6 | 173 | 126.4 | 0 | 0 | 116.2 | | |
| 69 | K | 37.2 | Very low | 35.2 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | 21.8 | 161.8 | 134.4 | -70.3 | 177.6 | -175.3 | 170.8 | 0 | 121.6 | | |
| 70 | P | 47.8 | Very low | 35.1 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | -131.4 | 157.6 | -9.6 | 35.8 | -19.9 | 0 | 0 | 0 | 114.2 | | |
| 71 | L | 30.8 | Very low | 35.1 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -164.3 | 141.9 | 136.5 | -130.7 | 67.7 | 0 | 0 | 0 | 114.9 | | |
| 72 | R | 35.7 | Very low | 35.1 | Very low | 212 Ų | 212 | 152.8 Ų | 152.8 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | 64.8 | 116.8 | 157.7 | -47.2 | -154.9 | -179.3 | -176.6 | 2.1 | 120.3 | C74 | R72-C74 PolarHBondContact O-N 2.96Š|
| 73 | F | 36.5 | Very low | 35.1 | Very low | 189 Ų | 189 | 158.3 Ų | 158.3 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | -21 | 115.4 | 139.8 | -99.1 | -103.8 | 0 | 0 | 0 | 114.4 | K75 | F73-K75 HydrophobicContact CD1-CG 4.38Š|
| 74 | C | 31.8 | Very low | 35.1 | Very low | 119 Ų | 119 | 159.5 Ų | 159.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -110.2 | 116.6 | 152.2 | -71.6 | 0 | 0 | 0 | 0 | 108 | R72 | R72-C74 PolarHBondContact O-N 2.96Š|
| 75 | K | 35.6 | Very low | 35 | Very low | 184 Ų | 184 | 160.3 Ų | 160.3 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | trans | -88.3 | 104.1 | 165.8 | -72.2 | 179 | 178 | 177.3 | 0 | 107.8 | F73 | F73-K75 HydrophobicContact CD1-CG 4.38Š|
| 76 | S | 33.5 | Very low | 35.2 | Very low | 97 Ų | 97 | 160.1 Ų | 160.1 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | trans | -116.1 | 112.4 | 159.2 | -66.6 | 0 | 0 | 0 | 0 | 107.9 | D78 | S76-D78 PolarHBondContact O-N 3.12Š|
| 77 | V | 38.3 | Very low | 35.6 | Very low | 120 Ų | 120 | 160.1 Ų | 160.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -91.7 | 91.4 | 171.6 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | F79 | V77-F79 HydrophobicContact CG1-CD2 3.98Å; V77-F79 HydrophobicContact CG1-CE2 3.89Å; V77-F79 PolarHBondContact O-N 3.32Å |
| 78 | D | 34.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 162.8 Ų | 162.8 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | | | trans | -70.4 | 99.5 | 176.6 | -69.7 | -31.7 | 0 | 0 | 0 | 110.1 | S76 R80 | S76-D78 PolarHBondContact O-N 3.12Å; D78-R80 PolarHBondContact O-N 2.83Å |
| 79 | F | 30.4 | Very low | 35.9 | Very low | 187 Ų | 187 | 161.9 Ų | 161.9 | 82% | 0.82 | 81% | 0.807 | S | S | * | * | | | trans | -71 | 93.9 | 169.4 | -96 | -88.6 | 0 | 0 | 0 | 110 | V77 P81 | V77-F79 HydrophobicContact CG1-CD2 3.98Å; V77-F79 HydrophobicContact CG1-CE2 3.89Å; V77-F79 PolarHBondContact O-N 3.32Å; F79-P81 WeakPolarHBondContact O-CD 3.41Å |
| 80 | R | 40.1 | Very low | 35.8 | Very low | 224 Ų | 224 | 159.1 Ų | 159.1 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -62 | 125.1 | 165.6 | -65.9 | -177.1 | 178.9 | -137 | -0.4 | 110 | D78 L82 | D78-R80 PolarHBondContact O-N 2.83Å; R80-L82 PolarHBondContact O-N 2.84Å |
| 81 | P | 36.5 | Very low | 35 | Very low | 128 Ų | 128 | 157 Ų | 157 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -68.3 | 118.6 | 164.7 | -18.2 | 33.1 | 0 | 0 | 0 | 109.6 | F79 R83 | F79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-R83 PolarHBondContact O-N 3.13Å; P81-R83 VanDerWaalsContact O-N 3.15Å |
| 82 | L | 33.3 | Very low | 34.9 | Very low | 173 Ų | 173 | 158.1 Ų | 158.1 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | | | trans | -65.9 | 111.4 | 173 | -94.6 | 157 | 0 | 0 | 0 | 109.8 | R80 R84 | R80-L82 PolarHBondContact O-N 2.84Å; L82-R84 PolarHBondContact O-N 3.18Å |
| 83 | R | 31.5 | Very low | 34.8 | Very low | 225 Ų | 225 | 154 Ų | 154 | 85% | 0.849 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.5 | 170.1 | -166.9 | -177.8 | -170.1 | 109 | -3.2 | 108.4 | P81 | P81-R83 PolarHBondContact O-N 3.13Å; P81-R83 VanDerWaalsContact O-N 3.15Å |
| 84 | R | 35.2 | Very low | 34.5 | Very low | 236 Ų | 236 | 150.6 Ų | 150.6 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 119.7 | 175.6 | -173.2 | 176.4 | -69.3 | 152.3 | -0.8 | 108.8 | L82 | L82-R84 PolarHBondContact O-N 3.18Š|
| 85 | E | 30.9 | Very low | 34.6 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.5 | 175.1 | -64.6 | -63.5 | 123.4 | 0 | 0 | 112 | | |
| 86 | A | 37 | Very low | 34.4 | Very low | 86 Ų | 86 | 147.5 Ų | 147.5 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | -138.3 | 137.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 87 | P | 47.3 | Very low | 34.7 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | | | trans | -81.4 | 154.5 | -160.7 | 31.6 | -36.4 | 0 | 0 | 0 | 114.4 | L89 | P87-L89 PolarHBondContact O-N 3.11Š|
| 88 | N | 33.3 | Very low | 34.7 | Very low | 160 Ų | 160 | 150.3 Ų | 150.3 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | | | trans | -48.9 | 130.1 | 174 | -73.7 | -77.6 | 0 | 0 | 0 | 113.6 | | |
| 89 | L | 37.4 | Very low | 34.5 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | | | trans | -133 | 130.2 | 145.8 | -75.4 | 178.4 | 0 | 0 | 0 | 109.9 | P87 | P87-L89 PolarHBondContact O-N 3.11Š|
| 90 | T | 33.8 | Very low | 34.7 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | | | trans | -52.6 | 154.4 | 176.1 | 46.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 91 | G | 31.8 | Very low | 34.9 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | 140.1 | 93.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 92 | D | 28.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | 59.9 | 126.6 | 135.5 | -52.5 | -27.4 | 0 | 0 | 0 | 123.2 | | |
| 93 | S | 33.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -52.9 | 141.5 | 165 | -51.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 94 | C | 30.5 | Very low | 35.2 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -154.5 | 113.9 | 141.1 | -161.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 95 | S | 34.6 | Very low | 35.3 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -73.2 | 131.1 | 162.3 | -46.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 96 | T | 31.5 | Very low | 35.5 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -169.3 | 123.1 | 153.2 | -80.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 97 | L | 38.6 | Very low | 36.1 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | | | trans | -75.2 | 154.6 | 160.4 | -69.4 | 166.3 | 0 | 0 | 0 | 109.4 | | |
| 98 | P | 37.7 | Very low | 36.3 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | | | | -136.4 | 134.5 | 123.6 | 33.5 | -21.9 | 0 | 0 | 0 | 114.2 | | |
| 99 | S | 30.7 | Very low | 36.9 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | | | trans | -76 | 152.1 | 166.9 | -43 | 0 | 0 | 0 | 0 | 110.9 | | |
| 100 | T | 35.8 | Very low | 37.6 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -170.8 | 156.6 | 132.7 | 18.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 101 | P | 43.3 | Very low | 38.1 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | | | trans | -111.5 | 162.1 | -156.5 | 40.5 | -33.7 | 0 | 0 | 0 | 114.7 | | |
| 102 | V | 34.5 | Very low | 38.4 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | -137.3 | 121.8 | 158.9 | -178.5 | 0 | 0 | 0 | 0 | 111 | | |
| 103 | H | 35.5 | Very low | 38.8 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | trans | -61.3 | 139.7 | 168.9 | -80.4 | -84.9 | 0 | 0 | 0 | 112.1 | | |
| 104 | K | 37.7 | Very low | 39.1 | Very low | 212 Ų | 212 | 139.1 Ų | 139.1 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | | | trans | -147.9 | 116.3 | 141.5 | -117.3 | 165.3 | -173.1 | 174.2 | 0 | 112.2 | | |
| 105 | K | 37.3 | Very low | 39.3 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -94.3 | 133.1 | 179.6 | 177.2 | -177.4 | -176 | 178.5 | 0 | 108.2 | | |
| 106 | N | 35.7 | Very low | 39.4 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | -162.2 | 161.7 | 160.3 | -98.9 | -20 | 0 | 0 | 0 | 111.4 | | |
| 107 | P | 48.8 | Very low | 39.7 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | trans | -102.5 | -179.2 | -139.7 | 42.5 | -39.9 | 0 | 0 | 0 | 115 | | |
| 108 | P | 51.3 | Low | 40 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 165.8 | -151.2 | 36.1 | -37 | 0 | 0 | 0 | 116.5 | | |
| 109 | L | 45.4 | Very low | 39.8 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.5 | 171.4 | -86.7 | 64.3 | 0 | 0 | 0 | 112.5 | | |
| 110 | P | 52.3 | Low | 40.4 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 124.8 | 167.4 | 31.3 | -32 | 0 | 0 | 0 | 111.5 | | |
| 111 | T | 45.1 | Very low | 40.5 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 126.8 | 165.7 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 112 | M | 38.1 | Very low | 40.3 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 138.1 | 169.1 | -79.1 | -76.1 | 91.1 | 0 | 0 | 111.8 | | |
| 113 | S | 37.8 | Very low | 40.6 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 145.4 | -163 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 114 | S | 38.8 | Very low | 40.6 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 7.9 | 110.1 | 145.7 | -177.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 115 | G | 33.9 | Very low | 40.6 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -136.9 | 70.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S117 | G115-S117 PolarHBondContact O-N 3.19Å; G115-S117 VanDerWaalsContact O-N 3.13Å |
| 116 | G | 38 | Very low | 40.6 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -70.4 | 102.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R118 | G116-R118 PolarHBondContact O-N 2.83Š|
| 117 | S | 36.8 | Very low | 40.7 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -82 | 109 | 173.7 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | G115 F119 | G115-S117 PolarHBondContact O-N 3.19Å; G115-S117 VanDerWaalsContact O-N 3.13Å; S117-F119 PolarHBondContact O-N 3.44Å |
| 118 | R | 44.4 | Very low | 40 | Very low | 208 Ų | 208 | 137.2 Ų | 137.2 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -81.8 | 95.5 | -172.8 | -179.1 | -179.3 | 178.4 | 173.3 | 1.6 | 111.5 | G116 K120 | G116-R118 PolarHBondContact O-N 2.83Å; R118-K120 PolarHBondContact O-N 2.85Å |
| 119 | F | 35.2 | Very low | 39.5 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -59 | 125.2 | 163.9 | -81.3 | -92.5 | 0 | 0 | 0 | 110.1 | S117 | S117-F119 PolarHBondContact O-N 3.44Š|
| 120 | K | 43.3 | Very low | 39.1 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -97.6 | 103.5 | 168 | -76.3 | -160.9 | 177.2 | -173.9 | 0 | 109.4 | R118 | R118-K120 PolarHBondContact O-N 2.85Š|
| 121 | V | 38 | Very low | 38.3 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -70.4 | 125.3 | 160.2 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 122 | V | 38.4 | Very low | 38 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | | | trans | -112.7 | 116.6 | 168.7 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | V124 | V122-V124 HydrophobicContact CG1-CG2 4.29Å; V122-V124 PolarHBondContact O-N 3.42Å |
| 123 | P | 41.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -77.3 | 120.9 | 169.8 | 30.4 | -29.1 | 0 | 0 | 0 | 108.7 | | |
| 124 | V | 34.9 | Very low | 38.4 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -108.2 | 120.1 | 165.8 | 168 | 0 | 0 | 0 | 0 | 107.4 | V122 | V122-V124 HydrophobicContact CG1-CG2 4.29Å; V122-V124 PolarHBondContact O-N 3.42Å |
| 125 | E | 37.1 | Very low | 38.2 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | | | trans | -64.5 | 129.3 | -175.6 | -61 | 172.9 | 107.4 | 0 | 0 | 111.9 | R127 | E125-R127 PolarHBondContact O-N 2.78Å; E125-R127 VanDerWaalsContact O-N 3.15Å |
| 126 | T | 38 | Very low | 38.4 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -74.3 | 98.5 | 163.2 | -43 | 0 | 0 | 0 | 0 | 108.3 | | |
| 127 | R | 38.5 | Very low | 38.5 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | -101.1 | 109.3 | 170.5 | -84.4 | -170.4 | 170 | -164 | -4.3 | 110.9 | E125 | E125-R127 PolarHBondContact O-N 2.78Å; E125-R127 VanDerWaalsContact O-N 3.15Å |
| 128 | D | 33.7 | Very low | 38.2 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -63.6 | 130.7 | 171.2 | -68.2 | -50.7 | 0 | 0 | 0 | 111.1 | Y130 | D128-Y130 PolarHBondContact O-N 2.79Š|
| 129 | P | 40.3 | Very low | 37.8 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -84.6 | 49.7 | -174.5 | 35.4 | -37.3 | 0 | 0 | 0 | 112.8 | | |
| 130 | Y | 36.9 | Very low | 37.8 | Very low | 213 Ų | 213 | 142.1 Ų | 142.1 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | -147.6 | 61.6 | -179.3 | -99 | -75.9 | 0 | 0 | 0 | 114.7 | D128 | D128-Y130 PolarHBondContact O-N 2.79Š|
| 131 | F | 35.3 | Very low | 37.6 | Very low | 193 Ų | 193 | 144 Ų | 144 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -169.5 | 133.5 | 137.9 | -129.6 | -110.6 | 0 | 0 | 0 | 112.1 | | |
| 132 | S | 39.3 | Very low | 37.8 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -159.2 | 109.1 | 162.8 | -87.7 | 0 | 0 | 0 | 0 | 110 | | |
| 133 | P | 47.1 | Very low | 37.5 | Very low | 90 Ų | 90 | 145 Ų | 145 | 58% | 0.584 | 80% | 0.795 | S | S | * | * | | | trans | -86.6 | 153.9 | 175 | 34.2 | -31.5 | 0 | 0 | 0 | 111.7 | | |
| 134 | N | 36.4 | Very low | 37.3 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | 75.3 | 115.6 | 175.6 | -48.3 | -19.5 | 0 | 0 | 0 | 114.7 | | |
| 135 | G | 34.9 | Very low | 37.2 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | cis | 118.2 | 110.1 | 24.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | K | 37.3 | Very low | 37 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | 75.1 | 117.1 | 163.6 | -47.6 | -179.8 | -175 | -178.3 | 0 | 117.6 | | |
| 137 | H | 40.2 | Very low | 36.9 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | | | | -175.1 | 171.6 | 101.2 | -93.1 | -72.1 | 0 | 0 | 0 | 109.7 | | |
| 138 | A | 32.4 | Very low | 36.9 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | -122.7 | 159.8 | -155.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 139 | I | 34.9 | Very low | 37.1 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | 61.2 | 113.9 | 155.9 | -59.3 | 154.6 | 0 | 0 | 0 | 117.6 | | |
| 140 | A | 34.7 | Very low | 36.8 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | | -170.2 | 131.5 | 120.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 141 | K | 40.4 | Very low | 36.7 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -98.5 | 149.2 | 153.2 | -104.3 | -179.1 | 177.3 | 176.3 | 0 | 107.5 | | |
| 142 | P | 42 | Very low | 36.9 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -125.5 | 176.6 | 131.1 | 19.1 | -1.1 | 0 | 0 | 0 | 112.4 | | |
| 143 | T | 32.2 | Very low | 36.5 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | -125.2 | 162.1 | -167.7 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 144 | A | 36.5 | Very low | 36 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | 67.2 | 156.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 145 | A | 33.3 | Very low | 35.9 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | | | cis | -151.2 | 140.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 146 | I | 33.5 | Very low | 36 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | | | trans | 30.6 | 115.4 | 132.7 | -49.7 | 170.1 | 0 | 0 | 0 | 120 | | |
| 147 | K | 35.4 | Very low | 36 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | | -164.4 | 122.4 | 119.1 | -101 | 168 | -176.6 | 178.5 | 0 | 107.3 | | |
| 148 | K | 37.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | | | | 52.4 | 120.5 | 95.6 | -68.1 | -170.1 | 149.8 | -79.7 | 0 | 111.9 | | |
| 149 | E | 38 | Very low | 36.2 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | cis | -151.3 | -175.5 | -1.5 | -126.3 | 110.6 | -149.1 | 0 | 0 | 105.9 | | |
| 150 | E | 34.2 | Very low | 36.2 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | cis | -152.2 | -115.7 | 20.3 | -155.7 | 158.3 | 96.7 | 0 | 0 | 113.9 | | |
| 151 | I | 35.3 | Very low | 36.3 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -111 | 133.7 | -163.7 | -69.6 | 156.3 | 0 | 0 | 0 | 109.9 | | |
| 152 | V | 39.7 | Very low | 36.2 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | | -144.6 | 135.2 | 83.3 | 156.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 153 | N | 30.6 | Very low | 36.2 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -55.6 | 137.9 | 172.3 | -93.7 | -38.6 | 0 | 0 | 0 | 112 | | |
| 154 | R | 35.8 | Very low | 36.8 | Very low | 226 Ų | 226 | 142.7 Ų | 142.7 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | | 52.4 | 134.2 | 83 | -59.6 | -175.4 | -179.9 | 154.9 | -3.6 | 112.9 | | |
| 155 | S | 35.1 | Very low | 36.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | cis | -141 | 140.3 | 38.1 | -168.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 156 | S | 36.7 | Very low | 36.8 | Very low | 82 Ų | 82 | 145 Ų | 145 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | | | trans | -63.1 | 172.3 | 157.4 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 157 | R | 38.1 | Very low | 36.9 | Very low | 236 Ų | 236 | 143.3 Ų | 143.3 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | | | trans | 83.2 | 144.4 | 166.6 | -54.8 | 167.6 | -170.7 | -155.8 | -0.1 | 113.9 | | |
| 158 | S | 34.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | cis | -163.5 | 162.7 | -14.8 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 159 | L | 41.6 | Very low | 37.2 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -19.9 | 128.9 | 165.5 | -68.3 | 153.9 | 0 | 0 | 0 | 117.1 | | |
| 160 | S | 36.5 | Very low | 37.3 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -163.7 | 120.9 | 136.6 | 37.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 161 | D | 35.3 | Very low | 37.6 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | 23.7 | 126.8 | 137.2 | -46.5 | -59.7 | 0 | 0 | 0 | 120.7 | | |
| 162 | I | 39.5 | Very low | 37.8 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -119.6 | 102.7 | 157.2 | -60.4 | -178.8 | 0 | 0 | 0 | 109.3 | | |
| 163 | H | 41.8 | Very low | 38.4 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 137.8 | 164.3 | -164.6 | -74.4 | 0 | 0 | 0 | 108.6 | S165 | H163-S165 PolarHBondContact O-N 3.5Š|
| 164 | P | 45.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.7 | 169.8 | 27.8 | -31.8 | 0 | 0 | 0 | 109.4 | | |
| 165 | S | 33.8 | Very low | 38.6 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 131.9 | 178.3 | -176 | 0 | 0 | 0 | 0 | 110.9 | H163 | H163-S165 PolarHBondContact O-N 3.5Š|
| 166 | S | 35.7 | Very low | 38.5 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 136.1 | 172.9 | 37.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 167 | S | 34.5 | Very low | 38.4 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 153.5 | 174.8 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 168 | P | 47.2 | Very low | 38.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 158.5 | -155.3 | 36 | -37.3 | 0 | 0 | 0 | 115.8 | | |
| 169 | S | 31.9 | Very low | 38.9 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 145.1 | 171 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 170 | V | 40.3 | Very low | 38.6 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 156.8 | 174 | 174 | 0 | 0 | 0 | 0 | 110.9 | | |
| 171 | V | 40.3 | Very low | 38.7 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | | | trans | -121.9 | 138.6 | -171.6 | 166.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 172 | Q | 39.9 | Very low | 38.7 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | | 176.2 | -167.7 | 83.4 | -140.6 | 173.1 | 31.6 | 0 | 0 | 110.3 | | |
| 173 | P | 52.9 | Low | 39.1 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | | | | -127.7 | -178.5 | -113 | 46.1 | -29.3 | 0 | 0 | 0 | 116.7 | | |
| 174 | T | 33.2 | Very low | 38.7 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -166.2 | 131.3 | 140.1 | 14.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 175 | S | 35.8 | Very low | 38.1 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | 10 | 138.6 | 153 | 57.4 | 0 | 0 | 0 | 0 | 124 | | |
| 176 | G | 34.5 | Very low | 38.7 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 153.6 | 134.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 177 | I | 33 | Very low | 38.7 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -151.5 | 153.1 | -165 | -72.2 | 177.3 | 0 | 0 | 0 | 107.8 | | |
| 178 | P | 50 | Low | 39 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | | | cis | -135.3 | 177.3 | 12.9 | 24.7 | 1.5 | 0 | 0 | 0 | 118.4 | | |
| 179 | V | 34.2 | Very low | 38.5 | Very low | 133 Ų | 133 | 140 Ų | 140 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | | | trans | 44.7 | 125.2 | 138.3 | 176.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 180 | Q | 35.5 | Very low | 39.1 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | | -162.7 | 141.8 | 127 | -165.9 | 87.5 | 23.8 | 0 | 0 | 110.3 | | |
| 181 | Q | 37.8 | Very low | 39.1 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -124.8 | 126.1 | -178.1 | -178.8 | -176.2 | 7.1 | 0 | 0 | 111.1 | | |
| 182 | R | 35.9 | Very low | 39.3 | Very low | 246 Ų | 246 | 140.5 Ų | 140.5 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | | | trans | -166.1 | 159.8 | 152.3 | -107.7 | -170.6 | -158.8 | 172.5 | 10.9 | 112.6 | | |
| 183 | P | 48 | Very low | 39.6 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | -108 | -176.3 | -163.1 | 42.9 | -37.6 | 0 | 0 | 0 | 115.2 | | |
| 184 | A | 33 | Very low | 39.1 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | 73.8 | 133.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 185 | S | 32.5 | Very low | 39.4 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | cis | -160 | 171.4 | 42.2 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 186 | H | 47.6 | Very low | 39.4 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | -73.1 | 126.5 | 179.5 | -56.2 | -87 | 0 | 0 | 0 | 112.5 | | |
| 187 | L | 34.6 | Very low | 39.9 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | | | trans | -139.8 | 111.7 | 150.5 | -76.5 | -179.4 | 0 | 0 | 0 | 109.6 | A189 | L187-A189 PolarHBondContact O-N 3.2Š|
| 188 | I | 40.1 | Very low | 40.2 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | | | trans | -79.7 | 106.6 | 170.8 | -66 | 167.8 | 0 | 0 | 0 | 107 | | |
| 189 | A | 38.1 | Very low | 39.6 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L187 | L187-A189 PolarHBondContact O-N 3.2Š|
| 190 | P | 44.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 135 | 177 | 28.2 | -33.2 | 0 | 0 | 0 | 111.3 | | |
| 191 | N | 40.2 | Very low | 40 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.4 | -180 | -173.1 | 10.8 | 0 | 0 | 0 | 111.9 | | |
| 192 | P | 44.1 | Very low | 40.1 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.4 | 174.6 | 27.7 | -33.6 | 0 | 0 | 0 | 111.2 | | |
| 193 | K | 45.7 | Very low | 40.3 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.8 | 179 | -62.1 | 175.3 | -178.5 | 177 | 0 | 110.8 | V195 | K193-V195 PolarHBondContact O-N 3.45Š|
| 194 | P | 43.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.9 | 176.8 | 26.7 | -33.8 | 0 | 0 | 0 | 110.7 | Y196 | P194-Y196 PolarHBondContact O-N 2.95Š|
| 195 | V | 39 | Very low | 40.5 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -80.3 | 111.2 | 170.3 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | K193 T197 | K193-V195 PolarHBondContact O-N 3.45Å; V195-T197 HydrophobicContact CG1-CG2 4.41Å; V195-T197 PolarHBondContact O-N 3.25Å |
| 196 | Y | 37.2 | Very low | 40.7 | Very low | 212 Ų | 212 | 138.7 Ų | 138.7 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | trans | -72.4 | 95.8 | 172 | -73.9 | -86.8 | 0 | 0 | 0 | 110 | P194 V198 | P194-Y196 PolarHBondContact O-N 2.95Å; Y196-V198 PolarHBondContact O-N 3.48Å |
| 197 | T | 44.8 | Very low | 40 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -74.6 | 110.7 | 168.7 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | V195 | V195-T197 HydrophobicContact CG1-CG2 4.41Å; V195-T197 PolarHBondContact O-N 3.25Å |
| 198 | V | 38.8 | Very low | 40 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -63.2 | 129.5 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | Y196 K200 | Y196-V198 PolarHBondContact O-N 3.48Å; V198-K200 PolarHBondContact O-N 2.91Å; V198-K200 VanDerWaalsContact O-N 3.11Å |
| 199 | P | 37.1 | Very low | 39.7 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -61.1 | 114.8 | 173.2 | -23.7 | 34.6 | 0 | 0 | 0 | 111 | V201 | P199-V201 PolarHBondContact O-N 2.9Š|
| 200 | K | 36.6 | Very low | 39.7 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | -74.7 | 96.1 | 176 | -174.5 | 162.7 | -176.5 | 167.2 | 0 | 109.5 | V198 A202 | V198-K200 PolarHBondContact O-N 2.91Å; V198-K200 VanDerWaalsContact O-N 3.11Å; K200-A202 PolarHBondContact O-N 3.19Å |
| 201 | V | 40.9 | Very low | 39.5 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | | | trans | -60 | 124.3 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | P199 | P199-V201 PolarHBondContact O-N 2.9Š|
| 202 | A | 39.6 | Very low | 39.5 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | | | trans | -84.4 | 125.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K200 T204 | K200-A202 PolarHBondContact O-N 3.19Å; A202-T204 PolarHBondContact O-N 3.21Å |
| 203 | P | 41.3 | Very low | 39.4 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | trans | -79.7 | 98.5 | 170.4 | 30.4 | -31.8 | 0 | 0 | 0 | 110.5 | A205 | P203-A205 PolarHBondContact O-N 3.43Å; P203-A205 VanDerWaalsContact O-N 3.15Å |
| 204 | T | 45.1 | Very low | 38.9 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | | | trans | -80.6 | 86 | 170.2 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | A202 | A202-T204 PolarHBondContact O-N 3.21Š|
| 205 | A | 38.9 | Very low | 38.5 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | -166.7 | 87.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111 | P203 V207 | P203-A205 PolarHBondContact O-N 3.43Å; P203-A205 VanDerWaalsContact O-N 3.15Å; A205-V207 PolarHBondContact O-N 3.45Å |
| 206 | Q | 36.8 | Very low | 38.7 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | -80.6 | 93 | 169.7 | -73 | -160.1 | 1.4 | 0 | 0 | 111.1 | K208 | Q206-K208 PolarHBondContact O-N 2.94Å; Q206-K208 VanDerWaalsContact OE1-CE 3.28Å |
| 207 | V | 34.5 | Very low | 39.2 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | -82.8 | 98.7 | 155 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | A205 A209 | A205-V207 PolarHBondContact O-N 3.45Å; V207-A209 PolarHBondContact O-N 3.14Å |
| 208 | K | 34.8 | Very low | 39 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -72 | 87.4 | 174.7 | -73.3 | -178 | 177.5 | 177.4 | 0 | 110.6 | Q206 S210 | Q206-K208 PolarHBondContact O-N 2.94Å; Q206-K208 VanDerWaalsContact OE1-CE 3.28Å; K208-S210 PolarHBondContact O-N 2.88Å |
| 209 | A | 33.1 | Very low | 39.4 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | | | trans | -80.9 | 85.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V207 T211 | V207-A209 PolarHBondContact O-N 3.14Å; A209-T211 VanDerWaalsContact C-N 3.32Å; A209-T211 PolarHBondContact O-N 3.47Å |
| 210 | S | 37.4 | Very low | 39.5 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -73.7 | 81.7 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | K208 I212 | K208-S210 PolarHBondContact O-N 2.88Å; S210-I212 PolarHBondContact O-N 3.45Å |
| 211 | T | 41.5 | Very low | 39.6 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -75.6 | 90.2 | 168.1 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | A209 I213 | A209-T211 VanDerWaalsContact C-N 3.32Å; A209-T211 PolarHBondContact O-N 3.47Å; T211-I213 HydrophobicContact CG2-CG1 4.16Å; T211-I213 PolarHBondContact O-N 3.44Å |
| 212 | I | 39.4 | Very low | 39.4 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 68% | 0.677 | 77% | 0.771 | S | S | * | * | | | trans | -73.9 | 106.8 | 169.1 | -59.5 | 176.2 | 0 | 0 | 0 | 107.9 | S210 Q214 | S210-I212 PolarHBondContact O-N 3.45Å; I212-Q214 HydrophobicContact CG2-CG 3.99Å; I212-Q214 PolarHBondContact O-N 3.18Å |
| 213 | I | 41 | Very low | 39.1 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -83 | 100.4 | 168.4 | -56.6 | 177.7 | 0 | 0 | 0 | 107.7 | T211 | T211-I213 HydrophobicContact CG2-CG1 4.16Å; T211-I213 PolarHBondContact O-N 3.44Å |
| 214 | Q | 35.8 | Very low | 39 | Very low | 151 Ų | 151 | 132 Ų | 132 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -89.2 | 135.3 | 162 | -73.3 | -178.8 | 34.7 | 0 | 0 | 109.2 | I212 T216 | I212-Q214 HydrophobicContact CG2-CG 3.99Å; I212-Q214 PolarHBondContact O-N 3.18Å; Q214-T216 PolarHBondContact O-N 3.46Å |
| 215 | P | 34.7 | Very low | 38.9 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -77.8 | 102.1 | 175.7 | 30.7 | -32.3 | 0 | 0 | 0 | 110.2 | | |
| 216 | T | 44.6 | Very low | 38.6 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -91.6 | 114.3 | 171.5 | -27.2 | 0 | 0 | 0 | 0 | 110.2 | Q214 N218 | Q214-T216 PolarHBondContact O-N 3.46Å; T216-N218 PolarHBondContact O-N 2.83Å |
| 217 | V | 47.2 | Very low | 38.5 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -68 | 98.6 | 166.4 | -86.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 218 | N | 40.4 | Very low | 38.5 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 159.3 | 114.2 | 145.2 | -78.9 | -19 | 0 | 0 | 0 | 108.9 | T216 Q220 | T216-N218 PolarHBondContact O-N 2.83Å; N218-Q220 PolarHBondContact O-N 3.08Å |
| 219 | G | 47.3 | Very low | 38.6 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | | | trans | -72.7 | 91 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 220 | Q | 38.8 | Very low | 38.5 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | -131.9 | 102 | 156.8 | -85.3 | -168.6 | -13.7 | 0 | 0 | 111 | N218 K222 | N218-Q220 PolarHBondContact O-N 3.08Å; Q220-K222 PolarHBondContact O-N 3.17Å |
| 221 | V | 38.6 | Very low | 38.4 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -87.9 | 98.7 | 169.7 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | V223 | V221-V223 HydrophobicContact CG1-CG2 3.7Å; V221-V223 PolarHBondContact O-N 3.25Å |
| 222 | K | 35.8 | Very low | 38 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -92.4 | 88.8 | 170.2 | -171.4 | -179.1 | 179 | -175.5 | 0 | 109.6 | Q220 S224 | Q220-K222 PolarHBondContact O-N 3.17Å; K222-S224 PolarHBondContact O-N 2.96Å |
| 223 | V | 34.5 | Very low | 37.7 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | | | trans | -77.4 | 102.9 | 170.1 | -171.2 | 0 | 0 | 0 | 0 | 108.8 | V221 | V221-V223 HydrophobicContact CG1-CG2 3.7Å; V221-V223 PolarHBondContact O-N 3.25Å |
| 224 | S | 39.7 | Very low | 37.3 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -106.4 | 107.2 | 162.9 | -69.5 | 0 | 0 | 0 | 0 | 108.3 | K222 | K222-S224 PolarHBondContact O-N 2.96Š|
| 225 | S | 42.3 | Very low | 37.3 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | | | trans | -132.8 | 86.5 | 170.2 | 59.5 | 0 | 0 | 0 | 0 | 108.7 | T227 | S225-T227 PolarHBondContact O-N 3.32Š|
| 226 | E | 32.7 | Very low | 37.2 | Very low | 177 Ų | 177 | 133 Ų | 133 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -72.9 | 116 | 162.9 | -70.2 | -176.6 | 158.7 | 0 | 0 | 108.2 | | |
| 227 | T | 34.2 | Very low | 36.5 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | -97.1 | 98.6 | 166.7 | -56.4 | 0 | 0 | 0 | 0 | 107.8 | S225 I229 | S225-T227 PolarHBondContact O-N 3.32Å; T227-I229 HydrophobicContact CG2-CG1 4.18Å; T227-I229 PolarHBondContact O-N 3.32Å |
| 228 | Q | 35.5 | Very low | 36 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | -75.1 | 112.2 | 170.4 | -64.8 | -163.3 | 9.4 | 0 | 0 | 109.4 | | |
| 229 | I | 35.8 | Very low | 35.8 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | | | trans | -95.4 | 107 | 168.3 | -53.8 | 178 | 0 | 0 | 0 | 106.9 | T227 T231 | T227-I229 HydrophobicContact CG2-CG1 4.18Å; T227-I229 PolarHBondContact O-N 3.32Å; I229-T231 HydrophobicContact CG2-CG2 4.46Å; I229-T231 PolarHBondContact O-N 3.04Å |
| 230 | S | 31.6 | Very low | 35.2 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -82.7 | 107.3 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 231 | T | 35.2 | Very low | 34.9 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -130.6 | 100 | 164.3 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | I229 | I229-T231 HydrophobicContact CG2-CG2 4.46Å; I229-T231 PolarHBondContact O-N 3.04Å |
| 232 | G | 33.4 | Very low | 35.1 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -79.8 | 118.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 233 | V | 33.2 | Very low | 35.4 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -134.1 | 127.3 | 154.8 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 234 | M | 32.8 | Very low | 35.5 | Very low | 185 Ų | 185 | 142 Ų | 142 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | -91.4 | 120.4 | -174.9 | -64.6 | -108.9 | -78 | 0 | 0 | 110.7 | | |
| 235 | V | 34.7 | Very low | 35.8 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -137.9 | 129.5 | 151 | -176 | 0 | 0 | 0 | 0 | 107.7 | | |
| 236 | A | 32.9 | Very low | 35.6 | Very low | 95 Ų | 95 | 154 Ų | 154 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -89.9 | 140.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 237 | E | 30.8 | Very low | 36.1 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | -147.8 | 137.6 | 142.6 | -148.3 | 168.4 | 172.3 | 0 | 0 | 111.1 | | |
| 238 | A | 35 | Very low | 36.8 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | | | trans | -93.4 | 143.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 239 | N | 36.6 | Very low | 37.1 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | | | trans | -152.2 | 153.7 | 141.1 | -118.4 | -51.2 | 0 | 0 | 0 | 114.9 | | |
| 240 | Q | 35.2 | Very low | 37.4 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -90.7 | 153.2 | -170.2 | -56.5 | 158.8 | 7.3 | 0 | 0 | 110.7 | | |
| 241 | S | 32.7 | Very low | 38 | Very low | 100 Ų | 100 | 153.2 Ų | 153.2 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | | | | 179.2 | 148.4 | 118.8 | -129.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 242 | R | 42.6 | Very low | 38.3 | Very low | 224 Ų | 224 | 152.3 Ų | 152.3 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | trans | 67.3 | 80 | 148.7 | -70.9 | 164.2 | -170.5 | -156.7 | 0.5 | 120.2 | T244 | R242-T244 PolarHBondContact O-N 2.92Š|
| 243 | R | 42.5 | Very low | 39.1 | Very low | 241 Ų | 241 | 156.7 Ų | 156.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | | -30.5 | 121.4 | 126.1 | 172.3 | -171.7 | -176.6 | 172 | 1.3 | 114 | | |
| 244 | T | 36.7 | Very low | 39.6 | Very low | 135 Ų | 135 | 156.2 Ų | 156.2 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | | | trans | -153.6 | 129 | 143.2 | 15.7 | 0 | 0 | 0 | 0 | 111.4 | R242 | R242-T244 PolarHBondContact O-N 2.92Š|
| 245 | K | 46.1 | Very low | 40.5 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -86.5 | 136.5 | 170 | -59.9 | 176.9 | 177.2 | -175.9 | 0 | 109.1 | | |
| 246 | R | 38 | Very low | 41.2 | Very low | 246 Ų | 246 | 152.9 Ų | 152.9 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | | | trans | 165.8 | 125.5 | 133.8 | -93.6 | 163 | -176.9 | -128.7 | 0.3 | 111.7 | | |
| 247 | A | 42.3 | Very low | 42.2 | Very low | 91 Ų | 91 | 153 Ų | 153 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | trans | -76.3 | 160.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 248 | P | 48.8 | Very low | 43.3 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | | -137.3 | 159.9 | 80.4 | 37.2 | -23.5 | 0 | 0 | 0 | 115.6 | | |
| 249 | L | 42.4 | Very low | 44.3 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -69.1 | 142.3 | 163.7 | -178.9 | 69.5 | 0 | 0 | 0 | 110.2 | | |
| 250 | V | 41.6 | Very low | 45.5 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | | | | 164.4 | 102.6 | 123 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 251 | R | 43.8 | Very low | 46.6 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | | | trans | 49.2 | 109.5 | 134.6 | -157.5 | 174.7 | -167.5 | 124.1 | -4.5 | 120.9 | | |
| 252 | A | 42.4 | Very low | 47.9 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -129.6 | 147.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 253 | K | 50.8 | Low | 48.8 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | | | trans | -118.1 | 103.7 | -166.4 | -176 | -171.7 | -178 | -169.5 | 0 | 110.6 | | |
| 254 | T | 42.2 | Very low | 49.7 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -127.5 | 107.2 | 164.1 | 36.7 | 0 | 0 | 0 | 0 | 109.3 | V256 | T254-V256 VanDerWaalsContact C-N 3.32Å; T254-V256 PolarHBondContact O-N 2.9Å |
| 255 | V | 52.8 | Low | 50.9 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | -78.1 | 88.4 | 171.7 | -179 | 0 | 0 | 0 | 0 | 107 | | |
| 256 | V | 48.6 | Very low | 52.1 | Low | 121 Ų | 121 | 123.3 Ų | 123.3 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | -87.2 | 122.1 | 164.2 | -173.2 | 0 | 0 | 0 | 0 | 106.5 | T254 A258 | T254-V256 VanDerWaalsContact C-N 3.32Å; T254-V256 PolarHBondContact O-N 2.9Å; V256-A258 VanDerWaalsContact C-N 3.33Å; V256-A258 PolarHBondContact O-N 2.8Å |
| 257 | A | 55 | Low | 54.3 | Low | 98 Ų | 98 | 115.2 Ų | 115.2 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | | | trans | -68.2 | 90.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | S259 | A257-S259 PolarHBondContact O-N 2.73Š|
| 258 | A | 52.8 | Low | 56.7 | Low | 95 Ų | 95 | 115.3 Ų | 115.3 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 117.9 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | V256 | V256-A258 VanDerWaalsContact C-N 3.33Å; V256-A258 PolarHBondContact O-N 2.8Å |
| 259 | S | 55.8 | Low | 58.9 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 143.7 | 175.6 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | A257 | A257-S259 PolarHBondContact O-N 2.73Š|
| 260 | P | 62.1 | Low | 61.3 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 71% | 0.714 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 139.4 | 171.5 | 23.4 | -34.2 | 0 | 0 | 0 | 110.4 | A262 | P260-A262 PolarHBondContact O-N 3Å; P260-A262 VanDerWaalsContact O-N 3.11Å |
| 261 | P | 58.7 | Low | 63.9 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | | | trans | -68.5 | 115.5 | -163.1 | 23.6 | -32.7 | 0 | 0 | 0 | 112.1 | H263 N264 | P261-H263 HydrophobicContact CB-CB 4.14Å; P261-H263 PolarHBondContact O-N 2.79Å; P261-N264 PolarHBondContact O-N 3.01Å |
| 262 | A | 59.8 | Low | 66.4 | Low | 71 Ų | 71 | 105 Ų | 105 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -17.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P260 N264 V265 L266 | P260-A262 PolarHBondContact O-N 3Å; P260-A262 VanDerWaalsContact O-N 3.11Å; A262-N264 PolarHBondContact O-N 3.03Å; A262-N264 VanDerWaalsContact O-N 3.16Å; A262-V265 PolarHBondContact O-N 2.74Å; A262-L266 PolarHBondContact O-N 3.36Å |
| 263 | H | 60.8 | Low | 68.9 | Low | 129 Ų | 129 | 105.2 Ų | 105.2 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -50.3 | -31.9 | 168.6 | -159.2 | -27.7 | 0 | 0 | 0 | 113.1 | P261 N267 | P261-H263 HydrophobicContact CB-CB 4.14Å; P261-H263 PolarHBondContact O-N 2.79Å; H263-N267 PolarHBondContact CE1-OD1 3.48Å; H263-N267 VanDerWaalsContact CE1-OD1 3.31Å; H263-N267 PolarHBondContact ND1-OD1 2.95Å; H263-N267 WeakPolarHBondContact O-CB 3.41Å; H263-N267 VanDerWaalsContact O-CG 3.28Å; H263-N267 PolarHBondContact O-N 3.46Å; H263-N267 PolarHBondContact O-OD1 3.22Å |
| 264 | N | 61.5 | Low | 71.1 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70 | -36.3 | 179 | -62.9 | -24.3 | 0 | 0 | 0 | 112.5 | P261 A262 N267 I268 | P261-N264 PolarHBondContact O-N 3.01Å; A262-N264 PolarHBondContact O-N 3.03Å; A262-N264 VanDerWaalsContact O-N 3.16Å; N264-N267 PolarHBondContact O-N 3.12Å; N264-I268 WeakPolarHBondContact O-CD1 3.5Å; N264-I268 VanDerWaalsContact O-CG1 3.29Å; N264-I268 WeakPolarHBondContact O-CG1 3.24Å; N264-I268 PolarHBondContact O-N 2.95Å |
| 265 | V | 63.6 | Low | 73.8 | Confident | 86 Ų | 86 | 100 Ų | 100 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.4 | -48.6 | -175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | A262 N267 I268 D269 | A262-V265 PolarHBondContact O-N 2.74Å; V265-N267 PolarHBondContact O-N 3.31Å; V265-I268 WeakPolarHBondContact O-CA 3.48Å; V265-I268 WeakPolarHBondContact O-CB 3.49Å; V265-I268 PolarHBondContact O-N 3.11Å; V265-D269 PolarHBondContact O-N 3.49Å |
| 266 | L | 70.8 | Confident | 76 | Confident | 108 Ų | 108 | 98.8 Ų | 98.8 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.2 | -34.5 | 174.7 | -60 | 176.2 | 0 | 0 | 0 | 112.2 | A262 N270 | A262-L266 PolarHBondContact O-N 3.36Å; L266-N270 PolarHBondContact O-N 2.86Å; L266-N270 PolarHBondContact O-ND2 2.73Å; L266-N270 PolarHBondContact O-OD1 2.89Å |
| 267 | N | 83.6 | Confident | 78.3 | Confident | 76 Ų | 76 | 96.1 Ų | 96.1 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -75 | -20.5 | 175.6 | -78.5 | 52.2 | 0 | 0 | 0 | 113.9 | H263 N264 V265 K271 | H263-N267 PolarHBondContact CE1-OD1 3.48Å; H263-N267 VanDerWaalsContact CE1-OD1 3.31Å; H263-N267 PolarHBondContact ND1-OD1 2.95Å; H263-N267 WeakPolarHBondContact O-CB 3.41Å; H263-N267 VanDerWaalsContact O-CG 3.28Å; H263-N267 PolarHBondContact O-N 3.46Å; H263-N267 PolarHBondContact O-OD1 3.22Å; N264-N267 PolarHBondContact O-N 3.12Å; V265-N267 PolarHBondContact O-N 3.31Å; N267-K271 WeakPolarHBondContact O-CD 3.2Å; N267-K271 VanDerWaalsContact O-CG 3.26Å; N267-K271 WeakPolarHBondContact O-CG 3.46Å |
| 268 | I | 92.3 | Very high | 80.4 | Confident | 93 Ų | 93 | 97.2 Ų | 97.2 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -80.7 | -45.3 | 173.5 | -71.1 | 161.1 | 0 | 0 | 0 | 109.8 | N264 V265 N270 K271 I272 | N264-I268 WeakPolarHBondContact O-CD1 3.5Å; N264-I268 VanDerWaalsContact O-CG1 3.29Å; N264-I268 WeakPolarHBondContact O-CG1 3.24Å; N264-I268 PolarHBondContact O-N 2.95Å; V265-I268 WeakPolarHBondContact O-CA 3.48Å; V265-I268 WeakPolarHBondContact O-CB 3.49Å; V265-I268 PolarHBondContact O-N 3.11Å; I268-N270 VanDerWaalsContact C-N 3.33Å; I268-N270 PolarHBondContact O-N 2.95Å; I268-K271 WeakPolarHBondContact O-CA 3.31Å; I268-K271 WeakPolarHBondContact O-CB 3.34Å; I268-K271 PolarHBondContact O-N 3.17Å; I268-I272 HydrophobicContact CG2-CD1 3.8Å; I268-I272 HydrophobicContact CG2-CG1 4.35Å; I268-I272 WeakPolarHBondContact O-CG1 3.37Å; I268-I272 PolarHBondContact O-N 3.28Å |
| 269 | D | 94.9 | Very high | 82.5 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 178.3 | -61.6 | -30.6 | 0 | 0 | 0 | 110.8 | V265 K271 I272 E273 | V265-D269 PolarHBondContact O-N 3.49Å; D269-K271 PolarHBondContact O-N 2.97Å; D269-I272 PolarHBondContact O-N 3.02Å; D269-I272 VanDerWaalsContact O-N 3.11Å; D269-E273 PolarHBondContact O-N 2.75Å |
| 270 | N | 93.9 | Very high | 84.6 | Confident | 81 Ų | 81 | 97.5 Ų | 97.5 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -29.2 | 174.2 | -67.5 | -6.4 | 0 | 0 | 0 | 113.6 | L266 I268 Q274 | L266-N270 PolarHBondContact O-N 2.86Å; L266-N270 PolarHBondContact O-ND2 2.73Å; L266-N270 PolarHBondContact O-OD1 2.89Å; I268-N270 VanDerWaalsContact C-N 3.33Å; I268-N270 PolarHBondContact O-N 2.95Å; N270-Q274 WeakPolarHBondContact O-CB 3.02Å; N270-Q274 VanDerWaalsContact O-CG 3.27Å; N270-Q274 WeakPolarHBondContact O-CG 3.25Å; N270-Q274 PolarHBondContact O-N 3.03Å; N270-Q274 VanDerWaalsContact O-N 3.13Å; N270-Q274 PolarHBondContact O-NE2 2.9Å |
| 271 | K | 95.3 | Very high | 86.3 | Confident | 140 Ų | 140 | 95.2 Ų | 95.2 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -78.5 | -35.2 | 176 | -79.3 | 170.6 | 174.5 | -69.7 | 0 | 111.9 | N267 I268 D269 A275 | N267-K271 WeakPolarHBondContact O-CD 3.2Å; N267-K271 VanDerWaalsContact O-CG 3.26Å; N267-K271 WeakPolarHBondContact O-CG 3.46Å; I268-K271 WeakPolarHBondContact O-CA 3.31Å; I268-K271 WeakPolarHBondContact O-CB 3.34Å; I268-K271 PolarHBondContact O-N 3.17Å; D269-K271 PolarHBondContact O-N 2.97Å; K271-A275 WeakPolarHBondContact O-CB 3.34Å; K271-A275 PolarHBondContact O-N 2.94Å |
| 272 | I | 96 | Very high | 88.2 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 173 | -66.7 | 167.4 | 0 | 0 | 0 | 109.5 | I268 D269 A275 M276 | I268-I272 HydrophobicContact CG2-CD1 3.8Å; I268-I272 HydrophobicContact CG2-CG1 4.35Å; I268-I272 WeakPolarHBondContact O-CG1 3.37Å; I268-I272 PolarHBondContact O-N 3.28Å; D269-I272 PolarHBondContact O-N 3.02Å; D269-I272 VanDerWaalsContact O-N 3.11Å; I272-A275 PolarHBondContact O-N 3.43Å; I272-M276 WeakPolarHBondContact O-CB 3.23Å; I272-M276 PolarHBondContact O-N 3.44Å |
| 273 | E | 96.5 | Very high | 90 | Very high | 107 Ų | 107 | 99.6 Ų | 99.6 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 175.9 | -171.9 | 170.4 | -143.5 | 0 | 0 | 111.6 | D269 A275 M276 D277 | D269-E273 PolarHBondContact O-N 2.75Å; E273-A275 VanDerWaalsContact C-N 3.34Å; E273-A275 PolarHBondContact O-N 2.8Å; E273-M276 PolarHBondContact O-N 2.81Å; E273-M276 VanDerWaalsContact O-N 3.15Å; E273-D277 PolarHBondContact O-N 2.97Å |
| 274 | Q | 97.1 | Very high | 91.8 | Very high | 133 Ų | 133 | 98.7 Ų | 98.7 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.5 | -42.9 | 173.9 | -78.8 | 165.4 | 64.5 | 0 | 0 | 113.1 | N270 L278 | N270-Q274 WeakPolarHBondContact O-CB 3.02Å; N270-Q274 VanDerWaalsContact O-CG 3.27Å; N270-Q274 WeakPolarHBondContact O-CG 3.25Å; N270-Q274 PolarHBondContact O-N 3.03Å; N270-Q274 VanDerWaalsContact O-N 3.13Å; N270-Q274 PolarHBondContact O-NE2 2.9Å; Q274-L278 WeakPolarHBondContact O-CB 3.34Å; Q274-L278 PolarHBondContact O-N 3.45Å |
| 275 | A | 97.8 | Very high | 93.5 | Very high | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K271 I272 E273 L278 V279 | K271-A275 WeakPolarHBondContact O-CB 3.34Å; K271-A275 PolarHBondContact O-N 2.94Å; I272-A275 PolarHBondContact O-N 3.43Å; E273-A275 VanDerWaalsContact C-N 3.34Å; E273-A275 PolarHBondContact O-N 2.8Å; A275-L278 PolarHBondContact O-N 2.9Å; A275-V279 WeakPolarHBondContact O-CG2 3.49Å; A275-V279 PolarHBondContact O-N 3.42Å |
| 276 | M | 98.3 | Very high | 95.2 | Very high | 110 Ų | 110 | 97.7 Ų | 97.7 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 177.1 | -177.6 | 174.2 | 59.5 | 0 | 0 | 112 | I272 E273 V279 K280 | I272-M276 WeakPolarHBondContact O-CB 3.23Å; I272-M276 PolarHBondContact O-N 3.44Å; E273-M276 PolarHBondContact O-N 2.81Å; E273-M276 VanDerWaalsContact O-N 3.15Å; M276-V279 PolarHBondContact O-N 2.87Å; M276-K280 VanDerWaalsContact O-CB 3.28Å; M276-K280 WeakPolarHBondContact O-CB 3.41Å; M276-K280 PolarHBondContact O-N 3.32Å |
| 277 | D | 98 | Very high | 96.5 | Very high | 64 Ų | 64 | 96.4 Ų | 96.4 | 34% | 0.342 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70 | -33.4 | 175.8 | -80.7 | -20.4 | 0 | 0 | 0 | 112.7 | E273 K280 T281 | E273-D277 PolarHBondContact O-N 2.97Å; D277-K280 PolarHBondContact O-N 2.89Å; D277-K280 WeakPolarHBondContact OD1-CE 3.49Å; D277-K280 IonicContact OD1-NZ 2.92Å; D277-K280 PolarHBondContact OD1-NZ 2.84Å; D277-T281 WeakPolarHBondContact O-CB 3.47Å; D277-T281 WeakPolarHBondContact O-CG2 3.06Å; D277-T281 PolarHBondContact O-N 3.41Å; D277-T281 PolarHBondContact O-OG1 3.34Å |
| 278 | L | 98.2 | Very high | 97.2 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -44.7 | 170.1 | -177.2 | 62.5 | 0 | 0 | 0 | 111.6 | Q274 A275 T281 H282 | Q274-L278 WeakPolarHBondContact O-CB 3.34Å; Q274-L278 PolarHBondContact O-N 3.45Å; A275-L278 PolarHBondContact O-N 2.9Å; L278-T281 WeakPolarHBondContact CA-OG1 3.31Å; L278-T281 PolarHBondContact O-OG1 2.97Å; L278-H282 VanDerWaalsContact O-CB 3.27Å; L278-H282 WeakPolarHBondContact O-CB 3.26Å; L278-H282 PolarHBondContact O-N 3.11Å |
| 279 | V | 98.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 102 Ų | 102 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 175 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | A275 M276 H282 L283 | A275-V279 WeakPolarHBondContact O-CG2 3.49Å; A275-V279 PolarHBondContact O-N 3.42Å; M276-V279 PolarHBondContact O-N 2.87Å; V279-H282 PolarHBondContact O-N 2.98Å; V279-L283 VanDerWaalsContact O-CB 3.32Å; V279-L283 WeakPolarHBondContact O-CB 3.34Å; V279-L283 PolarHBondContact O-N 3.04Å |
| 280 | K | 98.6 | Very high | 97.7 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 177.5 | -176 | -169.1 | -63 | 161.5 | 0 | 111.4 | M276 D277 L283 M284 | M276-K280 VanDerWaalsContact O-CB 3.28Å; M276-K280 WeakPolarHBondContact O-CB 3.41Å; M276-K280 PolarHBondContact O-N 3.32Å; D277-K280 PolarHBondContact O-N 2.89Å; D277-K280 WeakPolarHBondContact OD1-CE 3.49Å; D277-K280 IonicContact OD1-NZ 2.92Å; D277-K280 PolarHBondContact OD1-NZ 2.84Å; K280-L283 PolarHBondContact O-N 3.4Å; K280-M284 HydrophobicContact CG-SD 4.36Å; K280-M284 WeakPolarHBondContact O-CB 3.29Å; K280-M284 VanDerWaalsContact O-CG 3.27Å; K280-M284 WeakPolarHBondContact O-CG 3.49Å; K280-M284 PolarHBondContact O-N 3.49Å |
| 281 | T | 98.3 | Very high | 97.9 | Very high | 61 Ų | 61 | 103.3 Ų | 103.3 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 178.2 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | D277 L278 L283 M284 F285 | D277-T281 WeakPolarHBondContact O-CB 3.47Å; D277-T281 WeakPolarHBondContact O-CG2 3.06Å; D277-T281 PolarHBondContact O-N 3.41Å; D277-T281 PolarHBondContact O-OG1 3.34Å; L278-T281 WeakPolarHBondContact CA-OG1 3.31Å; L278-T281 PolarHBondContact O-OG1 2.97Å; T281-L283 PolarHBondContact O-N 3.33Å; T281-M284 PolarHBondContact O-N 3.5Å; T281-F285 WeakPolarHBondContact O-CD2 3.46Å; T281-F285 PolarHBondContact O-N 3.01Å |
| 282 | H | 98.3 | Very high | 98 | Very high | 135 Ų | 135 | 100.2 Ų | 100.2 | 63% | 0.625 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 176.8 | -174.4 | 58.1 | 0 | 0 | 0 | 112.4 | L278 V279 F285 A286 | L278-H282 VanDerWaalsContact O-CB 3.27Å; L278-H282 WeakPolarHBondContact O-CB 3.26Å; L278-H282 PolarHBondContact O-N 3.11Å; V279-H282 PolarHBondContact O-N 2.98Å; H282-F285 PolarHBondContact O-N 3Å; H282-A286 WeakPolarHBondContact O-CB 3.42Å; H282-A286 PolarHBondContact O-N 2.97Å |
| 283 | L | 98.5 | Very high | 98.2 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 175.8 | -177 | 64 | 0 | 0 | 0 | 111.8 | V279 K280 T281 F285 A286 V287 | V279-L283 VanDerWaalsContact O-CB 3.32Å; V279-L283 WeakPolarHBondContact O-CB 3.34Å; V279-L283 PolarHBondContact O-N 3.04Å; K280-L283 PolarHBondContact O-N 3.4Å; T281-L283 PolarHBondContact O-N 3.33Å; L283-F285 VanDerWaalsContact C-N 3.31Å; L283-F285 PolarHBondContact O-N 3.15Å; L283-A286 PolarHBondContact O-N 3.03Å; L283-V287 HydrophobicContact CD1-CG2 3.81Å; L283-V287 HydrophobicContact CG-CG2 4.18Å; L283-V287 VanDerWaalsContact O-CB 3.31Å; L283-V287 WeakPolarHBondContact O-CB 3.45Å; L283-V287 VanDerWaalsContact O-CG2 3.25Å; L283-V287 WeakPolarHBondContact O-CG2 3.41Å; L283-V287 PolarHBondContact O-N 3.45Å |
| 284 | M | 98.1 | Very high | 98.3 | Very high | 110 Ų | 110 | 97.5 Ų | 97.5 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 175.7 | -74.8 | 177.6 | 69.7 | 0 | 0 | 112.7 | K280 T281 R288 | K280-M284 HydrophobicContact CG-SD 4.36Å; K280-M284 WeakPolarHBondContact O-CB 3.29Å; K280-M284 VanDerWaalsContact O-CG 3.27Å; K280-M284 WeakPolarHBondContact O-CG 3.49Å; K280-M284 PolarHBondContact O-N 3.49Å; T281-M284 PolarHBondContact O-N 3.5Å; M284-R288 WeakPolarHBondContact O-CB 3.5Å; M284-R288 PolarHBondContact O-N 3.47Å |
| 285 | F | 98.2 | Very high | 98.3 | Very high | 128 Ų | 128 | 98 Ų | 98 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.6 | -50.2 | 175.1 | -72 | -61 | 0 | 0 | 0 | 111.9 | T281 H282 L283 V287 R288 E289 | T281-F285 WeakPolarHBondContact O-CD2 3.46Å; T281-F285 PolarHBondContact O-N 3.01Å; H282-F285 PolarHBondContact O-N 3Å; L283-F285 VanDerWaalsContact C-N 3.31Å; L283-F285 PolarHBondContact O-N 3.15Å; F285-V287 PolarHBondContact O-N 2.84Å; F285-R288 PolarHBondContact O-N 2.95Å; F285-R288 VanDerWaalsContact O-N 3.16Å; F285-E289 PolarHBondContact O-N 3.26Å |
| 286 | A | 98.3 | Very high | 98.4 | Very high | 37 Ų | 37 | 96.9 Ų | 96.9 | 31% | 0.306 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H282 L283 R288 E289 E290 | H282-A286 WeakPolarHBondContact O-CB 3.42Å; H282-A286 PolarHBondContact O-N 2.97Å; L283-A286 PolarHBondContact O-N 3.03Å; A286-R288 VanDerWaalsContact C-N 3.34Å; A286-R288 PolarHBondContact O-N 3.2Å; A286-E289 PolarHBondContact O-N 3.15Å; A286-E290 WeakPolarHBondContact O-CG 3.42Å; A286-E290 PolarHBondContact O-N 3.16Å |
| 287 | V | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 97.3 Ų | 97.3 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | L283 F285 V291 | L283-V287 HydrophobicContact CD1-CG2 3.81Å; L283-V287 HydrophobicContact CG-CG2 4.18Å; L283-V287 VanDerWaalsContact O-CB 3.31Å; L283-V287 WeakPolarHBondContact O-CB 3.45Å; L283-V287 VanDerWaalsContact O-CG2 3.25Å; L283-V287 WeakPolarHBondContact O-CG2 3.41Å; L283-V287 PolarHBondContact O-N 3.45Å; F285-V287 PolarHBondContact O-N 2.84Å; V287-V291 HydrophobicContact CG1-CG2 4.43Å; V287-V291 WeakPolarHBondContact O-CB 3.48Å; V287-V291 WeakPolarHBondContact O-CG2 3.26Å; V287-V291 PolarHBondContact O-N 3.45Å |
| 288 | R | 98.2 | Very high | 98.4 | Very high | 138 Ų | 138 | 98.8 Ų | 98.8 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 174.3 | 178.9 | 179.4 | -70.4 | 132.6 | -3.2 | 111.3 | M284 F285 A286 V291 D292 | M284-R288 WeakPolarHBondContact O-CB 3.5Å; M284-R288 PolarHBondContact O-N 3.47Å; F285-R288 PolarHBondContact O-N 2.95Å; F285-R288 VanDerWaalsContact O-N 3.16Å; A286-R288 VanDerWaalsContact C-N 3.34Å; A286-R288 PolarHBondContact O-N 3.2Å; R288-V291 PolarHBondContact O-N 3.22Å; R288-D292 WeakPolarHBondContact CG-OD2 3.39Å; R288-D292 WeakPolarHBondContact O-CB 3.39Å; R288-D292 PolarHBondContact O-N 2.91Å |
| 289 | E | 98.4 | Very high | 98.4 | Very high | 148 Ų | 148 | 98.7 Ų | 98.7 | 69% | 0.692 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -46.1 | -179.9 | -173.7 | 172.8 | -176.7 | 0 | 0 | 111.8 | F285 A286 D292 G293 | F285-E289 PolarHBondContact O-N 3.26Å; A286-E289 PolarHBondContact O-N 3.15Å; E289-D292 PolarHBondContact O-N 3.44Å; E289-G293 PolarHBondContact O-N 3.44Å |
| 290 | E | 98.3 | Very high | 98.4 | Very high | 132 Ų | 132 | 98.7 Ų | 98.7 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 175.1 | -69.9 | -65.3 | 151.6 | 0 | 0 | 112.2 | A286 G293 L294 | A286-E290 WeakPolarHBondContact O-CG 3.42Å; A286-E290 PolarHBondContact O-N 3.16Å; E290-G293 PolarHBondContact O-N 2.91Å; E290-L294 WeakPolarHBondContact O-CB 3.29Å; E290-L294 VanDerWaalsContact O-CG 3.24Å; E290-L294 WeakPolarHBondContact O-CG 3.24Å; E290-L294 PolarHBondContact O-N 3.28Å |
| 291 | V | 98.7 | Very high | 98.4 | Very high | 61 Ų | 61 | 98 Ų | 98 | 37% | 0.37 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 177.4 | 166 | 0 | 0 | 0 | 0 | 111.8 | V287 R288 L294 R295 | V287-V291 HydrophobicContact CG1-CG2 4.43Å; V287-V291 WeakPolarHBondContact O-CB 3.48Å; V287-V291 WeakPolarHBondContact O-CG2 3.26Å; V287-V291 PolarHBondContact O-N 3.45Å; R288-V291 PolarHBondContact O-N 3.22Å; V291-L294 PolarHBondContact O-N 3.45Å; V291-R295 WeakPolarHBondContact O-CB 3.39Å; V291-R295 WeakPolarHBondContact O-CD 3.36Å; V291-R295 VanDerWaalsContact O-CG 3.25Å; V291-R295 WeakPolarHBondContact O-CG 3.48Å; V291-R295 PolarHBondContact O-N 2.97Å |
| 292 | D | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 99.7 Ų | 99.7 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.4 | -33.2 | -179.9 | -68.9 | -27.9 | 0 | 0 | 0 | 111.5 | R288 E289 R295 G296 | R288-D292 WeakPolarHBondContact CG-OD2 3.39Å; R288-D292 WeakPolarHBondContact O-CB 3.39Å; R288-D292 PolarHBondContact O-N 2.91Å; E289-D292 PolarHBondContact O-N 3.44Å; D292-R295 PolarHBondContact O-N 2.91Å; D292-R295 IonicContact OD1-CZ 3.82Å; D292-R295 IonicContact OD1-NH1 2.81Å; D292-R295 PolarHBondContact OD1-NH1 3.37Å; D292-G296 PolarHBondContact O-N 3.47Å |
| 293 | G | 98.5 | Very high | 98.4 | Very high | 46 Ų | 46 | 95.3 Ų | 95.3 | 47% | 0.474 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E289 E290 G296 K297 | E289-G293 PolarHBondContact O-N 3.44Å; E290-G293 PolarHBondContact O-N 2.91Å; G293-G296 PolarHBondContact O-N 3.43Å; G293-K297 WeakPolarHBondContact O-CB 3.46Å; G293-K297 PolarHBondContact O-N 2.92Å |
| 294 | L | 98.8 | Very high | 98.4 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 56% | 0.56 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 174.3 | -74.1 | 171.5 | 0 | 0 | 0 | 112 | E290 V291 K297 I298 | E290-L294 WeakPolarHBondContact O-CB 3.29Å; E290-L294 VanDerWaalsContact O-CG 3.24Å; E290-L294 WeakPolarHBondContact O-CG 3.24Å; E290-L294 PolarHBondContact O-N 3.28Å; V291-L294 PolarHBondContact O-N 3.45Å; L294-K297 PolarHBondContact O-N 3.26Å; L294-I298 VanDerWaalsContact O-CG1 3.29Å; L294-I298 WeakPolarHBondContact O-CG1 3.34Å; L294-I298 PolarHBondContact O-N 3.49Å |
| 295 | R | 98.4 | Very high | 98.5 | Very high | 142 Ų | 142 | 92.6 Ų | 92.6 | 54% | 0.536 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 174.6 | -75.9 | 163.4 | 167 | 178.1 | -7.3 | 112 | V291 D292 K297 I298 F299 | V291-R295 WeakPolarHBondContact O-CB 3.39Å; V291-R295 WeakPolarHBondContact O-CD 3.36Å; V291-R295 VanDerWaalsContact O-CG 3.25Å; V291-R295 WeakPolarHBondContact O-CG 3.48Å; V291-R295 PolarHBondContact O-N 2.97Å; D292-R295 PolarHBondContact O-N 2.91Å; D292-R295 IonicContact OD1-CZ 3.82Å; D292-R295 IonicContact OD1-NH1 2.81Å; D292-R295 PolarHBondContact OD1-NH1 3.37Å; R295-K297 VanDerWaalsContact C-N 3.31Å; R295-K297 PolarHBondContact O-N 3.3Å; R295-I298 PolarHBondContact O-N 3.36Å; R295-F299 WeakPolarHBondContact O-CB 3.38Å; R295-F299 PolarHBondContact O-N 2.87Å |
| 296 | G | 98.5 | Very high | 98.4 | Very high | 33 Ų | 33 | 92.9 Ų | 92.9 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | D292 G293 I298 F299 D300 | D292-G296 PolarHBondContact O-N 3.47Å; G293-G296 PolarHBondContact O-N 3.43Å; G296-I298 PolarHBondContact O-N 2.64Å; G296-F299 PolarHBondContact O-N 2.81Å; G296-D300 PolarHBondContact O-N 2.91Å |
| 297 | K | 98.5 | Very high | 98.4 | Very high | 119 Ų | 119 | 98.2 Ų | 98.2 | 52% | 0.517 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 179 | -173.1 | 55 | 176.4 | 175.2 | 0 | 113.4 | G293 L294 R295 L301 | G293-K297 WeakPolarHBondContact O-CB 3.46Å; G293-K297 PolarHBondContact O-N 2.92Å; L294-K297 PolarHBondContact O-N 3.26Å; R295-K297 VanDerWaalsContact C-N 3.31Å; R295-K297 PolarHBondContact O-N 3.3Å; K297-L301 HydrophobicContact CD-CD1 4.38Å; K297-L301 HydrophobicContact CD-CG 4.42Å; K297-L301 HydrophobicContact CG-CD1 4.21Å; K297-L301 WeakPolarHBondContact O-CB 3.47Å; K297-L301 VanDerWaalsContact O-CG 3.26Å; K297-L301 WeakPolarHBondContact O-CG 3.5Å; K297-L301 PolarHBondContact O-N 2.95Å; K297-L301 VanDerWaalsContact O-N 3.12Å |
| 298 | I | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -51.2 | 174 | -70.3 | 162.5 | 0 | 0 | 0 | 109.6 | L294 R295 G296 D300 L301 E302 | L294-I298 VanDerWaalsContact O-CG1 3.29Å; L294-I298 WeakPolarHBondContact O-CG1 3.34Å; L294-I298 PolarHBondContact O-N 3.49Å; R295-I298 PolarHBondContact O-N 3.36Å; G296-I298 PolarHBondContact O-N 2.64Å; I298-D300 PolarHBondContact O-N 3.15Å; I298-L301 PolarHBondContact O-N 3.37Å; I298-L301 VanDerWaalsContact O-N 3.11Å; I298-E302 HydrophobicContact CG2-CG 4.26Å; I298-E302 WeakPolarHBondContact CG2-OE1 3.3Å; I298-E302 WeakPolarHBondContact O-CG 3.05Å; I298-E302 PolarHBondContact O-N 2.84Å |
| 299 | F | 98.5 | Very high | 98.4 | Very high | 120 Ų | 120 | 97.4 Ų | 97.4 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.6 | -45.1 | 179.4 | 179.1 | -106.1 | 0 | 0 | 0 | 112.8 | R295 G296 L301 E302 N303 | R295-F299 WeakPolarHBondContact O-CB 3.38Å; R295-F299 PolarHBondContact O-N 2.87Å; G296-F299 PolarHBondContact O-N 2.81Å; F299-L301 PolarHBondContact O-N 3.03Å; F299-E302 PolarHBondContact O-N 2.92Å; F299-N303 VanDerWaalsContact CD1-ND2 3.3Å; F299-N303 WeakPolarHBondContact CD1-ND2 3.31Å; F299-N303 WeakPolarHBondContact CE1-ND2 3.22Å; F299-N303 WeakPolarHBondContact CZ-ND2 3.36Å; F299-N303 WeakPolarHBondContact O-CB 3.25Å; F299-N303 PolarHBondContact O-N 2.88Å; F299-N303 PolarHBondContact O-ND2 3.35Å |
| 300 | D | 98.5 | Very high | 98.3 | Very high | 99 Ų | 99 | 92.8 Ų | 92.8 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 176.2 | -77.8 | -17 | 0 | 0 | 0 | 112.7 | G296 I298 N303 H304 | G296-D300 PolarHBondContact O-N 2.91Å; I298-D300 PolarHBondContact O-N 3.15Å; D300-N303 PolarHBondContact O-N 2.86Å; D300-H304 WeakPolarHBondContact O-CB 3.17Å; D300-H304 PolarHBondContact O-N 3.27Å |
| 301 | L | 98.6 | Very high | 98.1 | Very high | 86 Ų | 86 | 91 Ų | 91 | 45% | 0.45 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 178 | -73.4 | 171.8 | 0 | 0 | 0 | 111.6 | K297 I298 F299 N303 H304 V305 | K297-L301 HydrophobicContact CD-CD1 4.38Å; K297-L301 HydrophobicContact CD-CG 4.42Å; K297-L301 HydrophobicContact CG-CD1 4.21Å; K297-L301 WeakPolarHBondContact O-CB 3.47Å; K297-L301 VanDerWaalsContact O-CG 3.26Å; K297-L301 WeakPolarHBondContact O-CG 3.5Å; K297-L301 PolarHBondContact O-N 2.95Å; K297-L301 VanDerWaalsContact O-N 3.12Å; I298-L301 PolarHBondContact O-N 3.37Å; I298-L301 VanDerWaalsContact O-N 3.11Å; F299-L301 PolarHBondContact O-N 3.03Å; L301-N303 VanDerWaalsContact C-N 3.34Å; L301-N303 PolarHBondContact O-N 2.99Å; L301-H304 PolarHBondContact O-N 3.45Å; L301-V305 WeakPolarHBondContact O-CB 3.25Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 2.98Å |
| 302 | E | 98.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 91.6 Ų | 91.6 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 174.3 | -72.5 | 178.9 | 174.7 | 0 | 0 | 111.9 | I298 F299 H304 V305 R306 | I298-E302 HydrophobicContact CG2-CG 4.26Å; I298-E302 WeakPolarHBondContact CG2-OE1 3.3Å; I298-E302 WeakPolarHBondContact O-CG 3.05Å; I298-E302 PolarHBondContact O-N 2.84Å; F299-E302 PolarHBondContact O-N 2.92Å; E302-H304 VanDerWaalsContact C-N 3.31Å; E302-H304 PolarHBondContact O-N 3.03Å; E302-V305 PolarHBondContact O-N 3.22Å; E302-R306 VanDerWaalsContact O-CB 3.29Å; E302-R306 WeakPolarHBondContact O-CB 3.48Å; E302-R306 PolarHBondContact O-N 3.42Å |
| 303 | N | 98.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 90.1 Ų | 90.1 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 175.8 | -70.9 | -31.9 | 0 | 0 | 0 | 112.5 | F299 D300 L301 R306 R307 | F299-N303 VanDerWaalsContact CD1-ND2 3.3Å; F299-N303 WeakPolarHBondContact CD1-ND2 3.31Å; F299-N303 WeakPolarHBondContact CE1-ND2 3.22Å; F299-N303 WeakPolarHBondContact CZ-ND2 3.36Å; F299-N303 WeakPolarHBondContact O-CB 3.25Å; F299-N303 PolarHBondContact O-N 2.88Å; F299-N303 PolarHBondContact O-ND2 3.35Å; D300-N303 PolarHBondContact O-N 2.86Å; L301-N303 VanDerWaalsContact C-N 3.34Å; L301-N303 PolarHBondContact O-N 2.99Å; N303-R306 PolarHBondContact OD1-NH1 3.24Å; N303-R307 WeakPolarHBondContact O-CB 3.35Å; N303-R307 PolarHBondContact O-N 3.38Å |
| 304 | H | 98.5 | Very high | 97.4 | Very high | 92 Ų | 92 | 92.7 Ų | 92.7 | 43% | 0.426 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.7 | -46.9 | 174.5 | -173.6 | 44.6 | 0 | 0 | 0 | 111.7 | D300 L301 E302 R307 L308 | D300-H304 WeakPolarHBondContact O-CB 3.17Å; D300-H304 PolarHBondContact O-N 3.27Å; L301-H304 PolarHBondContact O-N 3.45Å; E302-H304 VanDerWaalsContact C-N 3.31Å; E302-H304 PolarHBondContact O-N 3.03Å; H304-R307 WeakPolarHBondContact O-CB 3.38Å; H304-R307 PolarHBondContact O-N 3.15Å; H304-L308 WeakPolarHBondContact O-CG 3.27Å; H304-L308 PolarHBondContact O-N 3.48Å |
| 305 | V | 98.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 92.3 Ų | 92.3 | 42% | 0.418 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | L301 E302 R307 L308 E309 | L301-V305 WeakPolarHBondContact O-CB 3.25Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 2.98Å; E302-V305 PolarHBondContact O-N 3.22Å; V305-R307 PolarHBondContact O-N 3.03Å; V305-L308 CarbonylContact O-C 3.58Å; V305-L308 PolarHBondContact O-N 3.4Å; V305-L308 VanDerWaalsContact O-N 3.08Å; V305-E309 HydrophobicContact CG1-CG 4.11Å; V305-E309 WeakPolarHBondContact O-CB 3.32Å; V305-E309 WeakPolarHBondContact O-CG 3.44Å; V305-E309 PolarHBondContact O-N 3.39Å |
| 306 | R | 98.1 | Very high | 96.7 | Very high | 133 Ų | 133 | 91 Ų | 91 | 50% | 0.502 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.5 | -35.1 | 179.8 | -165.7 | -176 | -53.8 | 110.5 | 6.4 | 112.9 | E302 N303 A310 | E302-R306 VanDerWaalsContact O-CB 3.29Å; E302-R306 WeakPolarHBondContact O-CB 3.48Å; E302-R306 PolarHBondContact O-N 3.42Å; N303-R306 PolarHBondContact OD1-NH1 3.24Å; R306-A310 WeakPolarHBondContact O-CB 3.34Å; R306-A310 PolarHBondContact O-N 3.13Å; R306-A310 VanDerWaalsContact O-N 3.11Å |
| 307 | R | 98.1 | Very high | 96.1 | Very high | 149 Ų | 149 | 98.8 Ų | 98.8 | 56% | 0.562 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.9 | -48.8 | 175.4 | -166.2 | -163.3 | -44.8 | -166.1 | 3.5 | 111.5 | N303 H304 V305 E309 A310 E311 | N303-R307 WeakPolarHBondContact O-CB 3.35Å; N303-R307 PolarHBondContact O-N 3.38Å; H304-R307 WeakPolarHBondContact O-CB 3.38Å; H304-R307 PolarHBondContact O-N 3.15Å; V305-R307 PolarHBondContact O-N 3.03Å; R307-E309 VanDerWaalsContact C-N 3.3Å; R307-E309 PolarHBondContact O-N 3.22Å; R307-A310 WeakPolarHBondContact O-CB 3.34Å; R307-A310 PolarHBondContact O-N 2.88Å; R307-E311 WeakPolarHBondContact CD-OE1 3.44Å; R307-E311 WeakPolarHBondContact CG-OE1 3.34Å; R307-E311 WeakPolarHBondContact O-CG 3.46Å; R307-E311 PolarHBondContact O-N 3.18Å |
| 308 | L | 98.1 | Very high | 95.7 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 176.1 | -70.5 | 177.2 | 0 | 0 | 0 | 111.9 | H304 V305 E311 N312 | H304-L308 WeakPolarHBondContact O-CG 3.27Å; H304-L308 PolarHBondContact O-N 3.48Å; V305-L308 CarbonylContact O-C 3.58Å; V305-L308 PolarHBondContact O-N 3.4Å; V305-L308 VanDerWaalsContact O-N 3.08Å; L308-E311 PolarHBondContact O-N 3.19Å; L308-N312 WeakPolarHBondContact O-CB 3.43Å; L308-N312 PolarHBondContact O-N 2.88Å |
| 309 | E | 96.9 | Very high | 95.2 | Very high | 122 Ų | 122 | 96.3 Ų | 96.3 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 174.2 | -74.2 | 176.3 | 156.4 | 0 | 0 | 111.9 | V305 R307 S313 | V305-E309 HydrophobicContact CG1-CG 4.11Å; V305-E309 WeakPolarHBondContact O-CB 3.32Å; V305-E309 WeakPolarHBondContact O-CG 3.44Å; V305-E309 PolarHBondContact O-N 3.39Å; R307-E309 VanDerWaalsContact C-N 3.3Å; R307-E309 PolarHBondContact O-N 3.22Å; E309-S313 VanDerWaalsContact O-CB 3.23Å; E309-S313 WeakPolarHBondContact O-CB 3.45Å; E309-S313 PolarHBondContact O-N 3.11Å |
| 310 | A | 96.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 94.7 Ų | 94.7 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R306 R307 N312 S313 I314 | R306-A310 WeakPolarHBondContact O-CB 3.34Å; R306-A310 PolarHBondContact O-N 3.13Å; R306-A310 VanDerWaalsContact O-N 3.11Å; R307-A310 WeakPolarHBondContact O-CB 3.34Å; R307-A310 PolarHBondContact O-N 2.88Å; A310-N312 PolarHBondContact O-N 2.98Å; A310-S313 PolarHBondContact O-N 3.18Å; A310-I314 WeakPolarHBondContact O-CG1 3.28Å; A310-I314 PolarHBondContact O-N 2.96Å |
| 311 | E | 95.9 | Very high | 93.7 | Very high | 93 Ų | 93 | 95.6 Ų | 95.6 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 175.3 | -71.1 | 169.9 | -157.4 | 0 | 0 | 111.5 | R307 L308 S313 I314 L315 | R307-E311 WeakPolarHBondContact CD-OE1 3.44Å; R307-E311 WeakPolarHBondContact CG-OE1 3.34Å; R307-E311 WeakPolarHBondContact O-CG 3.46Å; R307-E311 PolarHBondContact O-N 3.18Å; L308-E311 PolarHBondContact O-N 3.19Å; E311-S313 VanDerWaalsContact C-N 3.35Å; E311-S313 PolarHBondContact O-N 3.19Å; E311-I314 PolarHBondContact O-N 3.23Å; E311-L315 VanDerWaalsContact O-CG 3.31Å; E311-L315 WeakPolarHBondContact O-CG 3.37Å; E311-L315 PolarHBondContact O-N 2.96Å |
| 312 | N | 94.3 | Very high | 92.8 | Very high | 75 Ų | 75 | 96.3 Ų | 96.3 | 40% | 0.401 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 177.8 | -166.8 | -73.6 | 0 | 0 | 0 | 111.7 | L308 A310 L315 K316 | L308-N312 WeakPolarHBondContact O-CB 3.43Å; L308-N312 PolarHBondContact O-N 2.88Å; A310-N312 PolarHBondContact O-N 2.98Å; N312-L315 PolarHBondContact O-N 3.03Å; N312-K316 WeakPolarHBondContact O-CB 3.46Å; N312-K316 VanDerWaalsContact O-CG 3.31Å; N312-K316 WeakPolarHBondContact O-CG 3.27Å; N312-K316 PolarHBondContact O-N 3.38Å; N312-K316 VanDerWaalsContact OD1-CD 3.25Å; N312-K316 WeakPolarHBondContact OD1-CD 3.42Å; N312-K316 WeakPolarHBondContact OD1-CE 3.48Å; N312-K316 PolarHBondContact OD1-NZ 3.31Å |
| 313 | S | 92.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 95 Ų | 95 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 174.9 | -163.4 | 0 | 0 | 0 | 0 | 112.5 | E309 A310 E311 R317 | E309-S313 VanDerWaalsContact O-CB 3.23Å; E309-S313 WeakPolarHBondContact O-CB 3.45Å; E309-S313 PolarHBondContact O-N 3.11Å; A310-S313 PolarHBondContact O-N 3.18Å; E311-S313 VanDerWaalsContact C-N 3.35Å; E311-S313 PolarHBondContact O-N 3.19Å; S313-R317 WeakPolarHBondContact O-CD 3.47Å; S313-R317 VanDerWaalsContact O-CG 3.24Å; S313-R317 WeakPolarHBondContact O-CG 3.39Å; S313-R317 PolarHBondContact O-N 3.34Å; S313-R317 PolarHBondContact O-NE 3.24Å; S313-R317 PolarHBondContact OG-NE 3.04Å; S313-R317 PolarHBondContact OG-NH2 3.16Å |
| 314 | I | 93.3 | Very high | 91.3 | Very high | 101 Ų | 101 | 94.4 Ų | 94.4 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -52.7 | 172.7 | -66.6 | 165.4 | 0 | 0 | 0 | 109.3 | A310 E311 K316 R317 T318 | A310-I314 WeakPolarHBondContact O-CG1 3.28Å; A310-I314 PolarHBondContact O-N 2.96Å; E311-I314 PolarHBondContact O-N 3.23Å; I314-K316 VanDerWaalsContact C-N 3.32Å; I314-K316 PolarHBondContact O-N 3.25Å; I314-R317 WeakPolarHBondContact O-CB 3.43Å; I314-R317 PolarHBondContact O-N 3.11Å; I314-T318 PolarHBondContact O-N 3.07Å; I314-T318 PolarHBondContact O-OG1 2.96Å; I314-T318 VanDerWaalsContact O-OG1 3.12Å |
| 315 | L | 92.3 | Very high | 90.4 | Very high | 99 Ų | 99 | 95.3 Ų | 95.3 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.1 | -44.6 | 179.1 | -69.9 | 169.1 | 0 | 0 | 0 | 112.2 | E311 N312 R317 T318 I319 | E311-L315 VanDerWaalsContact O-CG 3.31Å; E311-L315 WeakPolarHBondContact O-CG 3.37Å; E311-L315 PolarHBondContact O-N 2.96Å; N312-L315 PolarHBondContact O-N 3.03Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 3Å; L315-T318 PolarHBondContact O-N 2.87Å; L315-I319 HydrophobicContact CB-CD1 4.17Å; L315-I319 WeakPolarHBondContact O-CB 3.27Å; L315-I319 WeakPolarHBondContact O-CD1 3.43Å; L315-I319 WeakPolarHBondContact O-CG1 3.03Å; L315-I319 PolarHBondContact O-N 3.31Å |
| 316 | K | 89.2 | Confident | 89.5 | Confident | 113 Ų | 113 | 97.9 Ų | 97.9 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -26.7 | 176.2 | -78.9 | 175.3 | 169.9 | 154.5 | 0 | 114.3 | N312 I314 L324 | N312-K316 WeakPolarHBondContact O-CB 3.46Å; N312-K316 VanDerWaalsContact O-CG 3.31Å; N312-K316 WeakPolarHBondContact O-CG 3.27Å; N312-K316 PolarHBondContact O-N 3.38Å; N312-K316 VanDerWaalsContact OD1-CD 3.25Å; N312-K316 WeakPolarHBondContact OD1-CD 3.42Å; N312-K316 WeakPolarHBondContact OD1-CE 3.48Å; N312-K316 PolarHBondContact OD1-NZ 3.31Å; I314-K316 VanDerWaalsContact C-N 3.32Å; I314-K316 PolarHBondContact O-N 3.25Å; K316-L324 HydrophobicContact CB-CD1 4.2Å; K316-L324 HydrophobicContact CG-CD1 4.09Å |
| 317 | R | 87.7 | Confident | 88.7 | Confident | 197 Ų | 197 | 95.7 Ų | 95.7 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -85.2 | -30.6 | 175.2 | -66.1 | 170.6 | -147.2 | -174.6 | 4.1 | 112.4 | S313 I314 L315 | S313-R317 WeakPolarHBondContact O-CD 3.47Å; S313-R317 VanDerWaalsContact O-CG 3.24Å; S313-R317 WeakPolarHBondContact O-CG 3.39Å; S313-R317 PolarHBondContact O-N 3.34Å; S313-R317 PolarHBondContact O-NE 3.24Å; S313-R317 PolarHBondContact OG-NE 3.04Å; S313-R317 PolarHBondContact OG-NH2 3.16Å; I314-R317 WeakPolarHBondContact O-CB 3.43Å; I314-R317 PolarHBondContact O-N 3.11Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 3Å |
| 318 | T | 88.5 | Confident | 87.7 | Confident | 108 Ų | 108 | 94.1 Ų | 94.1 | 66% | 0.663 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -87.3 | -28.8 | -176.5 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | I314 L315 | I314-T318 PolarHBondContact O-N 3.07Å; I314-T318 PolarHBondContact O-OG1 2.96Å; I314-T318 VanDerWaalsContact O-OG1 3.12Å; L315-T318 PolarHBondContact O-N 2.87Å |
| 319 | I | 87.9 | Confident | 86.7 | Confident | 53 Ų | 53 | 97.4 Ų | 97.4 | 27% | 0.272 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -77.7 | 132.2 | -179.5 | -67.3 | 166 | 0 | 0 | 0 | 110.4 | L315 T323 L324 | L315-I319 HydrophobicContact CB-CD1 4.17Å; L315-I319 WeakPolarHBondContact O-CB 3.27Å; L315-I319 WeakPolarHBondContact O-CD1 3.43Å; L315-I319 WeakPolarHBondContact O-CG1 3.03Å; L315-I319 PolarHBondContact O-N 3.31Å; I319-T323 HydrophobicContact CG2-CG2 4.04Å; I319-L324 HydrophobicContact CG2-CB 4.14Å |
| 320 | P | 84.1 | Confident | 85.4 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | | | trans | -56.2 | 138.2 | 174 | -26.3 | 35.3 | 0 | 0 | 0 | 112.9 | D322 T323 L324 | P320-D322 PolarHBondContact O-N 3.01Å; P320-T323 WeakPolarHBondContact O-CB 3.29Å; P320-T323 PolarHBondContact O-N 2.93Å; P320-L324 PolarHBondContact O-N 3.3Å |
| 321 | N | 81.8 | Confident | 83.5 | Confident | 117 Ų | 117 | 107.4 Ų | 107.4 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -52.4 | -35.4 | -174.7 | -78.2 | -71.1 | 0 | 0 | 0 | 114 | L324 K325 | N321-L324 PolarHBondContact O-N 3.5Å; N321-K325 VanDerWaalsContact O-CG 3.25Å; N321-K325 WeakPolarHBondContact O-CG 3.26Å; N321-K325 PolarHBondContact O-N 3.39Å |
| 322 | D | 80.9 | Confident | 82.8 | Confident | 102 Ų | 102 | 108.2 Ų | 108.2 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.8 | -35.2 | -178.3 | -59.2 | -38.8 | 0 | 0 | 0 | 112.7 | P320 K325 Q326 | P320-D322 PolarHBondContact O-N 3.01Å; D322-K325 IonicContact OD1-NZ 2.75Å; D322-K325 PolarHBondContact OD1-NZ 3.13Å; D322-Q326 WeakPolarHBondContact O-CG 3.44Å; D322-Q326 PolarHBondContact O-N 3.31Å; D322-Q326 VanDerWaalsContact O-N 3.14Å |
| 323 | T | 82.2 | Confident | 82.2 | Confident | 69 Ų | 69 | 109.9 Ų | 109.9 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -41.4 | 169.4 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | I319 P320 Q326 L327 | I319-T323 HydrophobicContact CG2-CG2 4.04Å; P320-T323 WeakPolarHBondContact O-CB 3.29Å; P320-T323 PolarHBondContact O-N 2.93Å; T323-Q326 PolarHBondContact O-N 2.87Å; T323-L327 WeakPolarHBondContact O-CG 3.35Å; T323-L327 PolarHBondContact O-N 3.43Å |
| 324 | L | 81.6 | Confident | 81.7 | Confident | 30 Ų | 30 | 113.7 Ų | 113.7 | 16% | 0.157 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 179 | -169.7 | 147.9 | 0 | 0 | 0 | 112.1 | K316 I319 P320 N321 L327 H328 | K316-L324 HydrophobicContact CB-CD1 4.2Å; K316-L324 HydrophobicContact CG-CD1 4.09Å; I319-L324 HydrophobicContact CG2-CB 4.14Å; P320-L324 PolarHBondContact O-N 3.3Å; N321-L324 PolarHBondContact O-N 3.5Å; L324-L327 PolarHBondContact O-N 3.47Å; L324-H328 VanDerWaalsContact CD2-CE1 3.41Å; L324-H328 WeakPolarHBondContact CD2-CE1 3.38Å; L324-H328 PolarHBondContact O-N 3.4Å |
| 325 | K | 81.3 | Confident | 81 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.8 | -44.2 | 171 | -69.4 | 164.9 | -161.2 | 162.7 | 0 | 112.2 | N321 D322 L327 H328 L329 | N321-K325 VanDerWaalsContact O-CG 3.25Å; N321-K325 WeakPolarHBondContact O-CG 3.26Å; N321-K325 PolarHBondContact O-N 3.39Å; D322-K325 IonicContact OD1-NZ 2.75Å; D322-K325 PolarHBondContact OD1-NZ 3.13Å; K325-L327 VanDerWaalsContact C-N 3.26Å; K325-L327 PolarHBondContact O-N 3.23Å; K325-H328 PolarHBondContact O-N 3.06Å; K325-L329 PolarHBondContact O-N 3.31Å |
| 326 | Q | 79.7 | Confident | 80.3 | Confident | 122 Ų | 122 | 115.4 Ų | 115.4 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.5 | -29.6 | 178.1 | -72.7 | -179.3 | 18.3 | 0 | 0 | 113.2 | D322 T323 K330 | D322-Q326 WeakPolarHBondContact O-CG 3.44Å; D322-Q326 PolarHBondContact O-N 3.31Å; D322-Q326 VanDerWaalsContact O-N 3.14Å; T323-Q326 PolarHBondContact O-N 2.87Å; Q326-K330 WeakPolarHBondContact O-CG 3.37Å |
| 327 | L | 79.4 | Confident | 79.7 | Confident | 88 Ų | 88 | 115.5 Ų | 115.5 | 46% | 0.461 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.7 | -42.2 | 173.5 | -67.8 | 171 | 0 | 0 | 0 | 111.7 | T323 L324 K325 L329 K330 | T323-L327 WeakPolarHBondContact O-CG 3.35Å; T323-L327 PolarHBondContact O-N 3.43Å; L324-L327 PolarHBondContact O-N 3.47Å; K325-L327 VanDerWaalsContact C-N 3.26Å; K325-L327 PolarHBondContact O-N 3.23Å; L327-L329 PolarHBondContact O-N 3.4Å; L327-K330 PolarHBondContact O-N 3.48Å; L327-K330 VanDerWaalsContact O-N 3.1Å |
| 328 | H | 79 | Confident | 79.1 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.6 | -21.7 | 174.8 | -72.4 | -173 | 0 | 0 | 0 | 113.8 | L324 K325 K330 | L324-H328 VanDerWaalsContact CD2-CE1 3.41Å; L324-H328 WeakPolarHBondContact CD2-CE1 3.38Å; L324-H328 PolarHBondContact O-N 3.4Å; K325-H328 PolarHBondContact O-N 3.06Å; H328-K330 VanDerWaalsContact C-N 3.31Å |
| 329 | L | 77.1 | Confident | 78.4 | Confident | 147 Ų | 147 | 109.8 Ų | 109.8 | 77% | 0.77 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -0.8 | 174.4 | -79.5 | 160.2 | 0 | 0 | 0 | 114 | K325 L327 | K325-L329 PolarHBondContact O-N 3.31Å; L327-L329 PolarHBondContact O-N 3.4Å |
| 330 | K | 68.8 | Low | 77.6 | Confident | 175 Ų | 175 | 114.6 Ų | 114.6 | 76% | 0.761 | 58% | 0.583 | S | S | * | * | | | trans | -122.2 | 3.2 | -175.1 | -74.1 | -177.4 | 175.8 | -179.6 | 0 | 114.3 | Q326 L327 H328 | Q326-K330 WeakPolarHBondContact O-CG 3.37Å; L327-K330 PolarHBondContact O-N 3.48Å; L327-K330 VanDerWaalsContact O-N 3.1Å; H328-K330 VanDerWaalsContact C-N 3.31Å |
| 331 | L | 55.6 | Low | 77 | Confident | 210 Ų | 210 | 117.1 Ų | 117.1 | 100% | 1.099 | 59% | 0.585 | S | S | * | * | | | trans | -116 | 0 | 177.3 | -100.6 | 139.6 | 0 | 0 | 0 | 109.4 | | |