| 1 | M | 42.2 | Very low | 51.6 | Low | 229 Ų | 229 | 145.3 Ų | 145.3 | 100% | 1.128 | 84% | 0.837 | S | S | * | * | | | | 0 | 116.2 | 0 | -60.5 | -50.4 | -169.5 | 0 | 0 | 108 | | |
| 2 | P | 49.6 | Very low | 52.7 | Low | 131 Ų | 131 | 143.8 Ų | 143.8 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | -69.8 | 143.4 | 170.1 | 30.6 | -33.1 | 0 | 0 | 0 | 110 | | |
| 3 | G | 46.5 | Very low | 53.6 | Low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -75.1 | 136.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L5 | G3-L5 PolarHBondContact O-N 2.87Š|
| 4 | H | 48.4 | Very low | 54.7 | Low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -85.8 | 97.9 | 172.8 | -150.2 | 68.3 | 0 | 0 | 0 | 108.3 | Q6 | H4-Q6 PolarHBondContact O-N 3.29Š|
| 5 | L | 51.9 | Low | 55.9 | Low | 159 Ų | 159 | 135.7 Ų | 135.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -62.7 | 124.2 | 168.5 | -87 | 154.1 | 0 | 0 | 0 | 108.1 | G3 E7 | G3-L5 PolarHBondContact O-N 2.87Å; L5-E7 PolarHBondContact O-N 3.26Å; L5-E7 VanDerWaalsContact O-N 3.12Å |
| 6 | Q | 52.4 | Low | 56.6 | Low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -72.7 | 104.6 | 172.3 | -72.5 | 179.9 | -27 | 0 | 0 | 108.2 | H4 G8 | H4-Q6 PolarHBondContact O-N 3.29Å; Q6-G8 PolarHBondContact O-N 3.12Å |
| 7 | E | 60.2 | Low | 56.8 | Low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -61.5 | 107.2 | 168.6 | -66.8 | -177.4 | 149.9 | 0 | 0 | 108.4 | L5 F9 | L5-E7 PolarHBondContact O-N 3.26Å; L5-E7 VanDerWaalsContact O-N 3.12Å; E7-F9 PolarHBondContact O-N 2.73Å |
| 8 | G | 53.1 | Low | 57 | Low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | trans | -65.9 | 118.7 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q6 G10 | Q6-G8 PolarHBondContact O-N 3.12Å; G8-G10 PolarHBondContact O-N 3.35Å |
| 9 | F | 47.8 | Very low | 57.2 | Low | 207 Ų | 207 | 140.6 Ų | 140.6 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | | | trans | -70.2 | 69.4 | 178.8 | -70 | -84.4 | 0 | 0 | 0 | 111.9 | E7 C11 | E7-F9 PolarHBondContact O-N 2.73Å; F9-C11 PolarHBondContact O-N 3.34Å |
| 10 | G | 59.9 | Low | 57.2 | Low | 61 Ų | 61 | 138.7 Ų | 138.7 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | trans | -76.6 | 113 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G8 V12 | G8-G10 PolarHBondContact O-N 3.35Å; G10-V12 PolarHBondContact O-N 3Å |
| 11 | C | 55.5 | Low | 57.1 | Low | 119 Ų | 119 | 137.3 Ų | 137.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -66 | 104.8 | 167.4 | -73.2 | 0 | 0 | 0 | 0 | 109.3 | F9 V13 | F9-C11 PolarHBondContact O-N 3.34Å; C11-V13 VanDerWaalsContact C-N 3.29Å; C11-V13 HydrophobicContact CB-CG2 4.3Å; C11-V13 PolarHBondContact O-N 3Å |
| 12 | V | 65.2 | Low | 57.7 | Low | 128 Ų | 128 | 134 Ų | 134 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | -71.7 | 87.1 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | G10 T14 | G10-V12 PolarHBondContact O-N 3Å; V12-T14 VanDerWaalsContact C-N 3.31Å; V12-T14 HydrophobicContact CG1-CG2 4.03Å; V12-T14 PolarHBondContact O-N 3.25Å |
| 13 | V | 64.1 | Low | 58 | Low | 130 Ų | 130 | 133.7 Ų | 133.7 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | | | trans | -78.6 | 82 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | C11 N15 | C11-V13 VanDerWaalsContact C-N 3.29Å; C11-V13 HydrophobicContact CB-CG2 4.3Å; C11-V13 PolarHBondContact O-N 3Å; V13-N15 PolarHBondContact O-N 3.03Å; V13-N15 VanDerWaalsContact O-N 3.17Å |
| 14 | T | 68.6 | Low | 58.4 | Low | 106 Ų | 106 | 138.1 Ų | 138.1 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | trans | -63.8 | 114.7 | 167.8 | 54.8 | 0 | 0 | 0 | 0 | 108.8 | V12 R16 | V12-T14 VanDerWaalsContact C-N 3.31Å; V12-T14 HydrophobicContact CG1-CG2 4.03Å; V12-T14 PolarHBondContact O-N 3.25Å; T14-R16 PolarHBondContact O-N 3.19Å |
| 15 | N | 73.9 | Confident | 59.1 | Low | 74 Ų | 74 | 132.5 Ų | 132.5 | 40% | 0.396 | 71% | 0.709 | S | S | . | * | | | trans | -67.7 | 120.4 | 176.2 | 170.9 | 27.4 | 0 | 0 | 0 | 109.1 | V13 F17 D18 | V13-N15 PolarHBondContact O-N 3.03Å; V13-N15 VanDerWaalsContact O-N 3.17Å; N15-F17 PolarHBondContact O-N 3.35Å; N15-F17 WeakPolarHBondContact OD1-CD2 3.41Å; N15-F17 PolarHBondContact OD1-N 3Å; N15-F17 VanDerWaalsContact OD1-N 3.08Å; N15-D18 WeakPolarHBondContact CB-OD1 3.43Å; N15-D18 PolarHBondContact ND2-N 3.3Å; N15-D18 PolarHBondContact ND2-OD1 3.3Å; N15-D18 PolarHBondContact O-N 3.39Å; N15-D18 VanDerWaalsContact O-N 3.12Å |
| 16 | R | 66.8 | Low | 60.3 | Low | 220 Ų | 220 | 128.8 Ų | 128.8 | 83% | 0.83 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -1.6 | -179.7 | -69.6 | -175.1 | -68.9 | 153.2 | -0.3 | 113.6 | T14 | T14-R16 PolarHBondContact O-N 3.19Š|
| 17 | F | 59.6 | Low | 61.5 | Low | 133 Ų | 133 | 124.2 Ų | 124.2 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -0.1 | 175.3 | -56.6 | -77.4 | 0 | 0 | 0 | 113.8 | N15 Q19 L20 | N15-F17 PolarHBondContact O-N 3.35Å; N15-F17 WeakPolarHBondContact OD1-CD2 3.41Å; N15-F17 PolarHBondContact OD1-N 3Å; N15-F17 VanDerWaalsContact OD1-N 3.08Å; F17-Q19 PolarHBondContact O-N 3.3Å; F17-L20 HydrophobicContact CD1-CD2 4.39Å; F17-L20 VanDerWaalsContact O-CB 3.29Å; F17-L20 WeakPolarHBondContact O-CB 3.41Å; F17-L20 PolarHBondContact O-N 3.15Å |
| 18 | D | 60.6 | Low | 61.5 | Low | 96 Ų | 96 | 123.5 Ų | 123.5 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -62.7 | -27.2 | 173.3 | -71.7 | -11.8 | 0 | 0 | 0 | 111.7 | N15 L20 L21 | N15-D18 WeakPolarHBondContact CB-OD1 3.43Å; N15-D18 PolarHBondContact ND2-N 3.3Å; N15-D18 PolarHBondContact ND2-OD1 3.3Å; N15-D18 PolarHBondContact O-N 3.39Å; N15-D18 VanDerWaalsContact O-N 3.12Å; D18-L20 PolarHBondContact O-N 3.24Å; D18-L21 PolarHBondContact O-N 3.39Å |
| 19 | Q | 61.3 | Low | 62.6 | Low | 187 Ų | 187 | 125.7 Ų | 125.7 | 87% | 0.874 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -75.6 | 9.4 | 173.5 | -64 | -177.3 | -12.7 | 0 | 0 | 113.8 | F17 | F17-Q19 PolarHBondContact O-N 3.3Š|
| 20 | L | 57.3 | Low | 64.1 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 53% | 0.534 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -115.8 | 5.1 | 178.4 | -160.6 | 62 | 0 | 0 | 0 | 112.4 | F17 D18 | F17-L20 HydrophobicContact CD1-CD2 4.39Å; F17-L20 VanDerWaalsContact O-CB 3.29Å; F17-L20 WeakPolarHBondContact O-CB 3.41Å; F17-L20 PolarHBondContact O-N 3.15Å; D18-L20 PolarHBondContact O-N 3.24Å |
| 21 | L | 53.4 | Low | 64.6 | Low | 110 Ų | 110 | 122.1 Ų | 122.1 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -86.1 | -8.9 | 176.8 | -66.6 | 172.5 | 0 | 0 | 0 | 113.7 | D18 D23 | D18-L21 PolarHBondContact O-N 3.39Å; L21-D23 VanDerWaalsContact C-N 3.3Å |
| 22 | D | 55.1 | Low | 65.6 | Low | 158 Ų | 158 | 122.7 Ų | 122.7 | 85% | 0.845 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -80.2 | -9 | 171.2 | -85.9 | -23.3 | 0 | 0 | 0 | 113 | E24 | D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.46Å |
| 23 | D | 56.1 | Low | 66.2 | Low | 126 Ų | 126 | 118.9 Ų | 118.9 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -88.7 | 18.7 | 179.4 | -84.5 | -22.6 | 0 | 0 | 0 | 113 | L21 S25 | L21-D23 VanDerWaalsContact C-N 3.3Å; D23-S25 PolarHBondContact O-N 2.75Å |
| 24 | E | 56.2 | Low | 66.7 | Low | 167 Ų | 167 | 114.9 Ų | 114.9 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | | | trans | -66.4 | 8.6 | 175.6 | -74.6 | -169 | 161.4 | 0 | 0 | 114.9 | D22 D26 | D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.46Å; E24-D26 PolarHBondContact O-N 2.97Å |
| 25 | S | 61.9 | Low | 67.1 | Low | 69 Ų | 69 | 114.9 Ų | 114.9 | 48% | 0.483 | 58% | 0.584 | S | S | . | * | | | trans | -68.1 | 116.2 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | D23 | D23-S25 PolarHBondContact O-N 2.75Š|
| 26 | D | 77.2 | Confident | 67 | Low | 81 Ų | 81 | 115 Ų | 115 | 43% | 0.433 | 59% | 0.585 | S | S | . | * | | | trans | -47.2 | 130.7 | 169.6 | 172.3 | -5 | 0 | 0 | 0 | 109.8 | E24 F28 E29 V30 | E24-D26 PolarHBondContact O-N 2.97Å; D26-F28 PolarHBondContact O-N 3.43Å; D26-F28 WeakPolarHBondContact OD1-CB 3.48Å; D26-F28 PolarHBondContact OD1-N 3.02Å; D26-E29 HydrophobicContact CB-CB 4.33Å; D26-E29 HydrophobicContact CB-CG 4.19Å; D26-E29 WeakPolarHBondContact O-CA 3.4Å; D26-E29 PolarHBondContact O-N 2.97Å; D26-V30 PolarHBondContact O-N 3.05Å |
| 27 | P | 77.1 | Confident | 67.3 | Low | 93 Ų | 93 | 111.8 Ų | 111.8 | 60% | 0.604 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -51.1 | -27.9 | 176.2 | 20.1 | -33.5 | 0 | 0 | 0 | 114 | L31 | P27-L31 VanDerWaalsContact O-CG 3.29Å; P27-L31 WeakPolarHBondContact O-CG 3.49Å; P27-L31 PolarHBondContact O-N 2.84Å; P27-L31 VanDerWaalsContact O-N 3.12Å |
| 28 | F | 61.2 | Low | 67.6 | Low | 153 Ų | 153 | 113.4 Ų | 113.4 | 67% | 0.671 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.2 | -37.2 | 171.1 | -77.9 | -83.4 | 0 | 0 | 0 | 113.5 | D26 L31 K32 | D26-F28 PolarHBondContact O-N 3.43Å; D26-F28 WeakPolarHBondContact OD1-CB 3.48Å; D26-F28 PolarHBondContact OD1-N 3.02Å; F28-L31 PolarHBondContact O-N 3.02Å; F28-K32 VanDerWaalsContact O-CB 3.25Å; F28-K32 WeakPolarHBondContact O-CB 3.43Å; F28-K32 PolarHBondContact O-N 2.77Å |
| 29 | E | 76.9 | Confident | 67.6 | Low | 119 Ų | 119 | 114.4 Ų | 114.4 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.1 | -38 | 172.8 | -69.4 | -143.2 | 135.6 | 0 | 0 | 111.9 | D26 L31 K32 A33 | D26-E29 HydrophobicContact CB-CB 4.33Å; D26-E29 HydrophobicContact CB-CG 4.19Å; D26-E29 WeakPolarHBondContact O-CA 3.4Å; D26-E29 PolarHBondContact O-N 2.97Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.02Å; E29-K32 PolarHBondContact O-N 3.04Å; E29-A33 VanDerWaalsContact O-CB 3.26Å; E29-A33 WeakPolarHBondContact O-CB 3.35Å; E29-A33 PolarHBondContact O-N 2.86Å |
| 30 | V | 78.4 | Confident | 67.3 | Low | 79 Ų | 79 | 112 Ų | 112 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59 | -44.1 | 172.3 | -179.9 | 0 | 0 | 0 | 0 | 111 | D26 A34 | D26-V30 PolarHBondContact O-N 3.05Å; V30-A34 WeakPolarHBondContact O-CB 3.14Å; V30-A34 PolarHBondContact O-N 2.93Å |
| 31 | L | 71.2 | Confident | 67.1 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 60% | 0.602 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.8 | -43.8 | 175.6 | -74.9 | 168.6 | 0 | 0 | 0 | 112.4 | P27 F28 E29 A34 E35 | P27-L31 VanDerWaalsContact O-CG 3.29Å; P27-L31 WeakPolarHBondContact O-CG 3.49Å; P27-L31 PolarHBondContact O-N 2.84Å; P27-L31 VanDerWaalsContact O-N 3.12Å; F28-L31 PolarHBondContact O-N 3.02Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.02Å; L31-A34 PolarHBondContact O-N 2.99Å; L31-E35 PolarHBondContact O-N 2.89Å |
| 32 | K | 76.4 | Confident | 67 | Low | 130 Ų | 130 | 108.7 Ų | 108.7 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.5 | -40.6 | 179.5 | -163.8 | 176.9 | -173.6 | -177.8 | 0 | 111.8 | F28 E29 E35 N36 | F28-K32 VanDerWaalsContact O-CB 3.25Å; F28-K32 WeakPolarHBondContact O-CB 3.43Å; F28-K32 PolarHBondContact O-N 2.77Å; E29-K32 PolarHBondContact O-N 3.04Å; K32-E35 PolarHBondContact O-N 3.17Å; K32-N36 WeakPolarHBondContact O-CB 3.5Å; K32-N36 VanDerWaalsContact O-CG 3.31Å; K32-N36 PolarHBondContact O-N 3.21Å; K32-N36 PolarHBondContact O-ND2 3.12Å |
| 33 | A | 77.3 | Confident | 66.8 | Low | 48 Ų | 48 | 105.2 Ų | 105.2 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.5 | -37.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E29 K37 | E29-A33 VanDerWaalsContact O-CB 3.26Å; E29-A33 WeakPolarHBondContact O-CB 3.35Å; E29-A33 PolarHBondContact O-N 2.86Å; A33-K37 WeakPolarHBondContact O-CB 3.29Å; A33-K37 WeakPolarHBondContact O-CG 3.36Å; A33-K37 PolarHBondContact O-N 2.73Å |
| 34 | A | 75.4 | Confident | 66.4 | Low | 47 Ų | 47 | 103.4 Ų | 103.4 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -34.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V30 L31 K38 | V30-A34 WeakPolarHBondContact O-CB 3.14Å; V30-A34 PolarHBondContact O-N 2.93Å; L31-A34 PolarHBondContact O-N 2.99Å; A34-K38 WeakPolarHBondContact O-CG 3.44Å; A34-K38 PolarHBondContact O-N 3.45Å; A34-K38 VanDerWaalsContact O-N 3.11Å |
| 35 | E | 75.4 | Confident | 65.9 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -44.8 | 173.4 | -160.9 | -164.7 | 143.1 | 0 | 0 | 111.5 | L31 K32 K38 K39 | L31-E35 PolarHBondContact O-N 2.89Å; K32-E35 PolarHBondContact O-N 3.17Å; E35-K38 WeakPolarHBondContact O-CB 3.25Å; E35-K38 PolarHBondContact O-N 2.87Å; E35-K38 VanDerWaalsContact O-N 3.13Å; E35-K39 PolarHBondContact O-N 2.82Å; E35-K39 VanDerWaalsContact O-N 3.1Å; E35-K39 WeakPolarHBondContact OE1-CE 3.26Å; E35-K39 IonicContact OE1-NZ 2.66Å; E35-K39 PolarHBondContact OE1-NZ 2.94Å |
| 36 | N | 72.4 | Confident | 65.2 | Low | 78 Ų | 78 | 100.2 Ų | 100.2 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -43.6 | 176.2 | -71 | -16.5 | 0 | 0 | 0 | 111.6 | K32 K38 K39 E40 | K32-N36 WeakPolarHBondContact O-CB 3.5Å; K32-N36 VanDerWaalsContact O-CG 3.31Å; K32-N36 PolarHBondContact O-N 3.21Å; K32-N36 PolarHBondContact O-ND2 3.12Å; N36-K38 VanDerWaalsContact C-N 3.25Å; N36-K38 PolarHBondContact O-N 2.89Å; N36-K39 WeakPolarHBondContact O-CA 3.41Å; N36-K39 WeakPolarHBondContact O-CB 3.35Å; N36-K39 PolarHBondContact O-N 3.25Å; N36-E40 PolarHBondContact O-N 3.03Å |
| 37 | K | 72.4 | Confident | 63.4 | Low | 152 Ų | 152 | 103.5 Ų | 103.5 | 66% | 0.661 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62 | -28.3 | 173 | -76.8 | 174.9 | 178 | 171.4 | 0 | 113.4 | A33 G41 | A33-K37 WeakPolarHBondContact O-CB 3.29Å; A33-K37 WeakPolarHBondContact O-CG 3.36Å; A33-K37 PolarHBondContact O-N 2.73Å; K37-G41 PolarHBondContact O-N 3.44Å |
| 38 | K | 66.6 | Low | 61.8 | Low | 167 Ų | 167 | 108.3 Ų | 108.3 | 73% | 0.726 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.9 | -31.6 | 170.7 | -78.7 | 175.9 | 179.3 | 176.5 | 0 | 113 | A34 E35 N36 | A34-K38 WeakPolarHBondContact O-CG 3.44Å; A34-K38 PolarHBondContact O-N 3.45Å; A34-K38 VanDerWaalsContact O-N 3.11Å; E35-K38 WeakPolarHBondContact O-CB 3.25Å; E35-K38 PolarHBondContact O-N 2.87Å; E35-K38 VanDerWaalsContact O-N 3.13Å; N36-K38 VanDerWaalsContact C-N 3.25Å; N36-K38 PolarHBondContact O-N 2.89Å |
| 39 | K | 60.9 | Low | 60.5 | Low | 117 Ų | 117 | 107.7 Ų | 107.7 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.8 | -44.6 | 174.9 | -65.9 | 167.8 | -173.4 | 165.2 | 0 | 111.3 | E35 N36 A42 | E35-K39 PolarHBondContact O-N 2.82Å; E35-K39 VanDerWaalsContact O-N 3.1Å; E35-K39 WeakPolarHBondContact OE1-CE 3.26Å; E35-K39 IonicContact OE1-NZ 2.66Å; E35-K39 PolarHBondContact OE1-NZ 2.94Å; N36-K39 WeakPolarHBondContact O-CA 3.41Å; N36-K39 WeakPolarHBondContact O-CB 3.35Å; N36-K39 PolarHBondContact O-N 3.25Å; K39-A42 PolarHBondContact O-N 3.12Å |
| 40 | E | 54.9 | Low | 58.9 | Low | 135 Ų | 135 | 107.1 Ų | 107.1 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.1 | -37.5 | 177.6 | -66.5 | -178 | 147.6 | 0 | 0 | 113 | N36 A42 A43 A44 | N36-E40 PolarHBondContact O-N 3.03Å; E40-A42 PolarHBondContact O-N 3.23Å; E40-A42 VanDerWaalsContact O-N 3.16Å; E40-A43 PolarHBondContact O-N 3.25Å; E40-A44 PolarHBondContact O-N 2.59Å; E40-A44 VanDerWaalsContact O-N 3.11Å |
| 41 | G | 52.5 | Low | 57.2 | Low | 58 Ų | 58 | 107.5 Ų | 107.5 | 60% | 0.598 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -20.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K37 | K37-G41 PolarHBondContact O-N 3.44Š|
| 42 | A | 51.5 | Low | 56 | Low | 86 Ų | 86 | 111.1 Ų | 111.1 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -19.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K39 E40 | K39-A42 PolarHBondContact O-N 3.12Å; E40-A42 PolarHBondContact O-N 3.23Å; E40-A42 VanDerWaalsContact O-N 3.16Å |
| 43 | A | 50.8 | Low | 54.4 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -32.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E40 G45 | E40-A43 PolarHBondContact O-N 3.25Å; A43-G45 PolarHBondContact O-N 3.19Å; A43-G45 VanDerWaalsContact O-N 3.13Å |
| 44 | A | 47.2 | Very low | 52.9 | Low | 89 Ų | 89 | 112 Ų | 112 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -76.6 | 9.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E40 S46 | E40-A44 PolarHBondContact O-N 2.59Å; E40-A44 VanDerWaalsContact O-N 3.11Å; A44-S46 VanDerWaalsContact C-N 3.27Å; A44-S46 PolarHBondContact O-N 2.88Å |
| 45 | G | 46.7 | Very low | 51.1 | Low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | | | trans | -74.1 | 13.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | A43 | A43-G45 PolarHBondContact O-N 3.19Å; A43-G45 VanDerWaalsContact O-N 3.13Å |
| 46 | S | 47.6 | Very low | 49.4 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | -156.5 | 98.7 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 115.5 | A44 | A44-S46 VanDerWaalsContact C-N 3.27Å; A44-S46 PolarHBondContact O-N 2.88Å |
| 47 | T | 38.1 | Very low | 48 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | | | | -179.2 | 151.8 | 123.8 | 26 | 0 | 0 | 0 | 0 | 112.8 | | |
| 48 | K | 44.9 | Very low | 46.4 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | | | trans | -48.1 | 151.6 | -177.4 | -61.6 | 168.5 | -178.1 | 172.7 | 0 | 113.4 | | |
| 49 | T | 33.3 | Very low | 45.2 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | | -157.7 | 159.3 | 63.9 | 37.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 50 | A | 43.2 | Very low | 44.6 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | trans | -98.3 | 115.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 51 | A | 43.4 | Very low | 44.3 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -155.2 | 162.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A53 | A51-A53 PolarHBondContact O-N 3.08Š|
| 52 | Q | 44.8 | Very low | 44.3 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | 64 | 33.9 | 170.1 | -51 | -166.4 | 13.1 | 0 | 0 | 117.8 | A54 | Q52-A54 VanDerWaalsContact C-N 3.27Å; Q52-A54 PolarHBondContact O-N 3.18Å |
| 53 | A | 43.6 | Very low | 44.2 | Very low | 113 Ų | 113 | 140 Ų | 140 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | | | trans | -72.8 | 79.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A51 | A51-A53 PolarHBondContact O-N 3.08Š|
| 54 | A | 45 | Very low | 44 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | | | trans | -148 | 137.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q52 | Q52-A54 VanDerWaalsContact C-N 3.27Å; Q52-A54 PolarHBondContact O-N 3.18Å |
| 55 | K | 38.1 | Very low | 44.2 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | | | trans | 68.4 | 74.3 | 173.8 | -56.1 | -178.8 | -178.4 | 177.6 | 0 | 116.9 | | |
| 56 | Q | 39.4 | Very low | 43.8 | Very low | 184 Ų | 184 | 156.7 Ų | 156.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 123.9 | 154.6 | -82.3 | -77.7 | -12.8 | 0 | 0 | 110 | | |
| 57 | P | 43.8 | Very low | 43.2 | Very low | 116 Ų | 116 | 159.8 Ų | 159.8 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 144.9 | 166.5 | 33.2 | -31.3 | 0 | 0 | 0 | 111.4 | | |
| 58 | K | 37.7 | Very low | 43.5 | Very low | 164 Ų | 164 | 158.4 Ų | 158.4 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 148.5 | -166.1 | -61.6 | 173.7 | 161.6 | -163.6 | 0 | 114.6 | E60 | K58-E60 VanDerWaalsContact CD-OE2 3.3Å; K58-E60 WeakPolarHBondContact CD-OE2 3.29Å; K58-E60 WeakPolarHBondContact CE-OE2 3.47Å; K58-E60 IonicContact NZ-OE2 2.67Å; K58-E60 PolarHBondContact NZ-OE2 2.98Å |
| 59 | K | 42.2 | Very low | 43.1 | Very low | 220 Ų | 220 | 155.8 Ų | 155.8 | 96% | 0.957 | 83% | 0.825 | S | S | * | * | | | trans | -111.6 | 114.4 | 142 | -75.2 | -176.8 | 178.2 | 176.3 | 0 | 107.8 | | |
| 60 | E | 48.4 | Very low | 43.5 | Very low | 148 Ų | 148 | 157.3 Ų | 157.3 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | | | trans | -119.6 | 124.6 | -175.9 | -165.4 | 172 | 131.9 | 0 | 0 | 109.3 | K58 | K58-E60 VanDerWaalsContact CD-OE2 3.3Å; K58-E60 WeakPolarHBondContact CD-OE2 3.29Å; K58-E60 WeakPolarHBondContact CE-OE2 3.47Å; K58-E60 IonicContact NZ-OE2 2.67Å; K58-E60 PolarHBondContact NZ-OE2 2.98Å |
| 61 | S | 48.5 | Very low | 43.2 | Very low | 103 Ų | 103 | 158.1 Ų | 158.1 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | | | trans | -88.9 | 126.4 | -167.9 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | K63 | S61-K63 PolarHBondContact O-N 3.25Å; S61-K63 VanDerWaalsContact O-N 3.09Å |
| 62 | Q | 50.9 | Low | 43.1 | Very low | 202 Ų | 202 | 163.6 Ų | 163.6 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -70.7 | 102.1 | 175.1 | -68 | -177.3 | -9.5 | 0 | 0 | 111.9 | | |
| 63 | K | 50.7 | Low | 42.6 | Very low | 190 Ų | 190 | 162.1 Ų | 162.1 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -143.6 | -29.3 | 161.2 | -119.5 | 177.3 | -178.6 | -179.2 | 0 | 115.3 | S61 R65 | S61-K63 PolarHBondContact O-N 3.25Å; S61-K63 VanDerWaalsContact O-N 3.09Å; K63-R65 VanDerWaalsContact C-N 3.35Å; K63-R65 PolarHBondContact O-N 3.49Å |
| 64 | D | 47.5 | Very low | 42.2 | Very low | 152 Ų | 152 | 164 Ų | 164 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -90.6 | 52.5 | -167.4 | -52.7 | -58.1 | 0 | 0 | 0 | 114.8 | | |
| 65 | R | 51.3 | Low | 41.8 | Very low | 237 Ų | 237 | 169.1 Ų | 169.1 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | | | trans | -142.3 | 78.8 | 171.7 | -71.5 | -168.6 | -179.5 | 157.9 | 3.8 | 113.9 | K63 | K63-R65 VanDerWaalsContact C-N 3.35Å; K63-R65 PolarHBondContact O-N 3.49Å |
| 66 | K | 37.4 | Very low | 41.6 | Very low | 205 Ų | 205 | 164.7 Ų | 164.7 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | | 170.7 | 96.8 | 128.1 | -95.1 | 173.2 | 179.8 | -175.6 | 0 | 112.4 | | |
| 67 | N | 34.4 | Very low | 41.3 | Very low | 163 Ų | 163 | 165.7 Ų | 165.7 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -168 | 119.9 | 133.3 | -121.9 | 9.7 | 0 | 0 | 0 | 110.5 | | |
| 68 | P | 44.2 | Very low | 40.9 | Very low | 121 Ų | 121 | 164.2 Ų | 164.2 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | trans | -86.5 | 151.6 | 165.7 | 34.3 | -31.2 | 0 | 0 | 0 | 111.5 | | |
| 69 | L | 37.5 | Very low | 41.2 | Very low | 138 Ų | 138 | 162.2 Ų | 162.2 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | | | trans | -68.6 | 144.7 | 179.1 | -169.5 | 75.3 | 0 | 0 | 0 | 112.4 | D71 | L69-D71 WeakPolarHBondContact CD2-OD2 3.4Š|
| 70 | L | 42.3 | Very low | 41 | Very low | 173 Ų | 173 | 158.4 Ų | 158.4 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | | | trans | -147.6 | 113.4 | 153.8 | -95.2 | -178.9 | 0 | 0 | 0 | 110.1 | | |
| 71 | D | 35.6 | Very low | 41.2 | Very low | 124 Ų | 124 | 156.1 Ų | 156.1 | 66% | 0.663 | 81% | 0.808 | S | S | * | * | | | trans | -79.3 | 149.2 | 178.2 | -54.2 | -82.2 | 0 | 0 | 0 | 112.9 | L69 | L69-D71 WeakPolarHBondContact CD2-OD2 3.4Š|
| 72 | K | 42.2 | Very low | 40.8 | Very low | 202 Ų | 202 | 157.8 Ų | 157.8 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | | | trans | -161.4 | 120.4 | 149.4 | -114.3 | 160.9 | -171.6 | 175.4 | 0 | 112.6 | | |
| 73 | K | 34.6 | Very low | 40.1 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | trans | 30.5 | 136 | 148 | -80.2 | -177.4 | 157.7 | -75.8 | 0 | 120.5 | | |
| 74 | E | 35.1 | Very low | 39.6 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | 45.9 | 132.6 | 132.6 | -63.4 | 138.2 | -152 | 0 | 0 | 118.4 | | |
| 75 | E | 35.6 | Very low | 39 | Very low | 190 Ų | 190 | 156 Ų | 156 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | | -159.4 | 165.8 | 50.3 | -172.6 | 167.9 | -171.7 | 0 | 0 | 112.5 | | |
| 76 | S | 34.4 | Very low | 38.3 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -88.4 | 134.8 | -175.5 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 77 | Q | 32.4 | Very low | 38.7 | Very low | 204 Ų | 204 | 145 Ų | 145 | 95% | 0.953 | 78% | 0.777 | S | S | * | * | | | trans | -147.9 | 154.1 | 148 | -122.6 | 179.2 | 25.5 | 0 | 0 | 113.7 | | |
| 78 | A | 36.5 | Very low | 39 | Very low | 85 Ų | 85 | 148.5 Ų | 148.5 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | -100.9 | 161.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 79 | P | 44.3 | Very low | 38.9 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | -81.8 | 152.4 | -174 | 33 | -36 | 0 | 0 | 0 | 113.7 | | |
| 80 | V | 37.6 | Very low | 38.9 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | trans | -128.1 | 108.2 | 171.4 | -177 | 0 | 0 | 0 | 0 | 110.3 | | |
| 81 | P | 52.2 | Low | 38.5 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | -87.3 | 165.6 | 164.1 | 35.6 | -32.6 | 0 | 0 | 0 | 111.1 | | |
| 82 | L | 40.8 | Very low | 38.8 | Very low | 139 Ų | 139 | 154.5 Ų | 154.5 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | | | trans | 158 | 123.9 | 132.4 | -85.3 | 164.3 | 0 | 0 | 0 | 113.8 | | |
| 83 | K | 35.5 | Very low | 38.6 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | 66.3 | 158 | 150.5 | -61.5 | 163.3 | 177.5 | 164 | 0 | 115.3 | | |
| 84 | K | 39.4 | Very low | 39.6 | Very low | 164 Ų | 164 | 153.7 Ų | 153.7 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | cis | -158 | 138.9 | 27.9 | -163.2 | 169.6 | 175.5 | 178.4 | 0 | 113.7 | | |
| 85 | E | 35.1 | Very low | 39.6 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | 25.9 | 143 | 149.2 | -58.8 | 144.2 | -147.3 | 0 | 0 | 123.5 | | |
| 86 | G | 36.5 | Very low | 39.6 | Very low | 74 Ų | 74 | 152 Ų | 152 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | -179.5 | 82.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 87 | I | 46 | Very low | 39.7 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | | | trans | -112.5 | 129.7 | -179.4 | -83.6 | 68.4 | 0 | 0 | 0 | 111.9 | | |
| 88 | R | 41.8 | Very low | 39.7 | Very low | 237 Ų | 237 | 148.8 Ų | 148.8 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | | | trans | 168.4 | 143.3 | 146.6 | -86.1 | 141 | -149.9 | -137.6 | 4.2 | 108.3 | | |
| 89 | R | 42.5 | Very low | 39.7 | Very low | 220 Ų | 220 | 152.5 Ų | 152.5 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | cis | 116.3 | 112.5 | 10 | -87.3 | -164.7 | -178.2 | -160.8 | 3.3 | 112.4 | | |
| 90 | V | 36.1 | Very low | 39.2 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | 34.7 | 143.8 | 153.8 | -71 | 0 | 0 | 0 | 0 | 120.9 | | |
| 91 | G | 35.1 | Very low | 38.9 | Very low | 66 Ų | 66 | 149.2 Ų | 149.2 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | | | cis | 144.7 | 138.4 | 15 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 92 | R | 41 | Very low | 38 | Very low | 246 Ų | 246 | 150.7 Ų | 150.7 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | | | trans | 66.4 | 164 | 176.2 | -46.7 | -167 | -168.3 | -95.7 | 9.2 | 115.8 | | |
| 93 | R | 38.5 | Very low | 37.9 | Very low | 236 Ų | 236 | 151 Ų | 151 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | cis | -142.2 | -177.8 | 18.4 | -115.9 | -158.7 | 170 | 152.4 | -2.6 | 112.5 | | |
| 94 | P | 54.4 | Low | 38.2 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | -114.4 | 176.5 | -168.8 | 44 | -36.8 | 0 | 0 | 0 | 116.5 | | |
| 95 | D | 36.5 | Very low | 37.9 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | -154.8 | 172.9 | 166.2 | -89.5 | -47.9 | 0 | 0 | 0 | 109.3 | | |
| 96 | Q | 35.8 | Very low | 37.7 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | | -160.7 | -179.2 | -52 | -131.1 | -174.4 | 114.2 | 0 | 0 | 108.7 | | |
| 97 | Q | 35.3 | Very low | 37.5 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -72.9 | 158.5 | -169.8 | -65.4 | 160 | -33.3 | 0 | 0 | 115.1 | | |
| 98 | G | 33.3 | Very low | 36.9 | Very low | 81 Ų | 81 | 150.4 Ų | 150.4 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | -140.9 | 130.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 99 | Q | 36.7 | Very low | 36.3 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | trans | -146.8 | 136.5 | -169.6 | -176.3 | 179.1 | -13 | 0 | 0 | 112.9 | | |
| 100 | S | 33.1 | Very low | 36 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | 62.9 | 143.4 | 160.7 | 61.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 101 | G | 32.1 | Very low | 35.8 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | 179.2 | 89.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 102 | S | 32.5 | Very low | 36 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | | | trans | 79.3 | 161.7 | 164.2 | -148 | 0 | 0 | 0 | 0 | 120.1 | | |
| 103 | Q | 39.7 | Very low | 36.1 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 68% | 0.682 | 82% | 0.817 | S | S | * | * | | | trans | -165.7 | 166.5 | -144.2 | -175 | 177.4 | -52.1 | 0 | 0 | 112.9 | | |
| 104 | H | 40.3 | Very low | 35.9 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 70% | 0.704 | 81% | 0.808 | S | S | * | * | | | trans | 87.1 | 148.5 | 171.7 | -46.7 | 98.1 | 0 | 0 | 0 | 116.2 | | |
| 105 | Q | 34.5 | Very low | 35.2 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | cis | -146.7 | 171.4 | 0.9 | -141.9 | 168 | 1.8 | 0 | 0 | 111.8 | | |
| 106 | G | 30.7 | Very low | 35.2 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | -90.3 | -160.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 107 | G | 31.4 | Very low | 35.6 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | cis | 163.3 | 159.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 108 | Q | 33 | Very low | 36.2 | Very low | 212 Ų | 212 | 140 Ų | 140 | 99% | 0.991 | 82% | 0.823 | S | S | * | * | | | trans | 74.2 | 148.5 | 172.4 | -60.5 | -172.2 | -10.5 | 0 | 0 | 120.1 | | |
| 109 | G | 30.3 | Very low | 36.5 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | 158 | 117 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 110 | E | 36.3 | Very low | 36.5 | Very low | 209 Ų | 209 | 147.8 Ų | 147.8 | 98% | 0.977 | 83% | 0.832 | S | S | * | * | | | trans | -94.5 | 159.6 | -163.9 | -62.6 | -169.3 | 110 | 0 | 0 | 115.8 | | |
| 111 | G | 30.8 | Very low | 36.8 | Very low | 77 Ų | 77 | 153.5 Ų | 153.5 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | trans | 171.7 | 86.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 112 | R | 40.6 | Very low | 38.1 | Very low | 243 Ų | 243 | 155.2 Ų | 155.2 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | | | trans | -150.8 | 155.8 | 170.4 | -85.1 | -164 | -178 | -159.8 | 2.1 | 108.1 | | |
| 113 | P | 43.2 | Very low | 38.9 | Very low | 124 Ų | 124 | 155 Ų | 155 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | | | cis | -132.2 | -164.8 | 43.7 | 40.1 | -19.3 | 0 | 0 | 0 | 112.6 | | |
| 114 | A | 33.3 | Very low | 38.8 | Very low | 84 Ų | 84 | 157.6 Ų | 157.6 | 69% | 0.694 | 83% | 0.832 | S | S | * | * | | | cis | -155.3 | 170 | 16.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 115 | D | 39 | Very low | 38.7 | Very low | 140 Ų | 140 | 159.1 Ų | 159.1 | 75% | 0.749 | 84% | 0.839 | S | S | * | * | | | trans | -67 | 154.3 | 172.2 | -53.1 | -94.9 | 0 | 0 | 0 | 114.5 | | |
| 116 | K | 36.8 | Very low | 39.2 | Very low | 198 Ų | 198 | 160.8 Ų | 160.8 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | | | | -176.8 | 139.3 | 109.7 | -91 | 139.5 | -155.6 | 161.3 | 0 | 113.6 | | |
| 117 | R | 45 | Very low | 39.4 | Very low | 244 Ų | 244 | 166.3 Ų | 166.3 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | | | trans | -76.4 | 141.9 | 162.9 | -67.7 | 173.4 | 173.2 | 161.2 | -4.9 | 110 | | |
| 118 | P | 48.4 | Very low | 39.5 | Very low | 126 Ų | 126 | 171.6 Ų | 171.6 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -106.3 | 104.7 | 168.1 | 34.6 | -25.4 | 0 | 0 | 0 | 111.9 | | |
| 119 | D | 38.8 | Very low | 39.6 | Very low | 157 Ų | 157 | 168.1 Ų | 168.1 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -157 | 92.8 | 162.7 | -138.9 | -17.4 | 0 | 0 | 0 | 114 | | |
| 120 | R | 36.9 | Very low | 40 | Very low | 251 Ų | 251 | 173.7 Ų | 173.7 | 95% | 0.947 | 82% | 0.822 | S | S | * | * | | | trans | -173.5 | 157.2 | 156.7 | -104.6 | 163.6 | -177.1 | -178.4 | 0.3 | 109.9 | | |
| 121 | R | 38.4 | Very low | 40.8 | Very low | 236 Ų | 236 | 168.3 Ų | 168.3 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -145.3 | 175.1 | -161.2 | -103.3 | -174.9 | 175.7 | -178.8 | 1.1 | 111.9 | | |
| 122 | P | 59.3 | Low | 40.9 | Very low | 112 Ų | 112 | 169.6 Ų | 169.6 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | cis | -111.5 | -100.9 | -5.1 | 22.9 | 1.2 | 0 | 0 | 0 | 112.7 | | |
| 123 | P | 50.1 | Low | 41 | Very low | 125 Ų | 125 | 166.2 Ų | 166.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | cis | -113.4 | -121 | 1.7 | 43.2 | -30.3 | 0 | 0 | 0 | 115.6 | | |
| 124 | R | 37.4 | Very low | 40.7 | Very low | 201 Ų | 201 | 168.2 Ų | 168.2 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | | | trans | -96.1 | 155.6 | -175 | -136.2 | 172.9 | 171.4 | 106.7 | -11.7 | 109.2 | | |
| 125 | E | 39.3 | Very low | 41.3 | Very low | 184 Ų | 184 | 173.5 Ų | 173.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | | -154.8 | -166.2 | 62.3 | -83.3 | -161.5 | 160.5 | 0 | 0 | 115.7 | | |
| 126 | R | 43.4 | Very low | 41.7 | Very low | 221 Ų | 221 | 171.9 Ų | 171.9 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -130.4 | 124.5 | -165.8 | -61.7 | 176.4 | 175.2 | -176.4 | -2.6 | 114.2 | | |
| 127 | R | 36.5 | Very low | 41.9 | Very low | 195 Ų | 195 | 171.5 Ų | 171.5 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | | | trans | -174.2 | 153 | 148 | -98.5 | 172.6 | -170.1 | -82.6 | 4 | 105.5 | E129 | R127-E129 IonicContact NH1-OE1 3.23Å; R127-E129 PolarHBondContact NH1-OE1 3.15Å |
| 128 | F | 33.6 | Very low | 41.3 | Very low | 186 Ų | 186 | 163.6 Ų | 163.6 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | | | cis | -143.5 | 178.6 | 43.4 | -100.9 | -89.9 | 0 | 0 | 0 | 113.4 | | |
| 129 | E | 34.3 | Very low | 40.7 | Very low | 139 Ų | 139 | 161.4 Ų | 161.4 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | | | trans | -73.1 | 175.4 | -175.8 | -69 | 88.3 | 162 | 0 | 0 | 116.8 | R127 | R127-E129 IonicContact NH1-OE1 3.23Å; R127-E129 PolarHBondContact NH1-OE1 3.15Å |
| 130 | K | 38.7 | Very low | 40.7 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -148.6 | 153.4 | 173.2 | 169.1 | 174 | -178.2 | 170.4 | 0 | 105.9 | | |
| 131 | P | 52.1 | Low | 40.7 | Very low | 97 Ų | 97 | 153.7 Ų | 153.7 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | | | cis | -127.3 | -175.1 | 10.5 | 31.1 | -9.2 | 0 | 0 | 0 | 115.7 | | |
| 132 | A | 34.9 | Very low | 40.5 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -132.4 | 149.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 133 | E | 42.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -109.3 | 151.5 | 175.1 | -67.6 | 167.4 | 113 | 0 | 0 | 108.8 | | |
| 134 | D | 36.9 | Very low | 40.2 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -176.7 | 149 | 131.4 | -106.7 | -33.9 | 0 | 0 | 0 | 112.5 | | |
| 135 | K | 45.4 | Very low | 40.4 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -164.9 | 113.4 | 168.9 | -161.8 | -162.6 | -176 | -160.2 | 0 | 113.6 | | |
| 136 | P | 47.9 | Very low | 40.7 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | trans | -116.8 | -178.4 | 151.9 | 17.5 | 3.3 | 0 | 0 | 0 | 110.9 | | |
| 137 | E | 40.5 | Very low | 40.8 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | cis | -172.7 | 154.7 | -44.6 | -179 | 160.8 | -178.5 | 0 | 0 | 106.6 | | |
| 138 | G | 32.4 | Very low | 41.4 | Very low | 78 Ų | 78 | 139.1 Ų | 139.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 82.6 | 146.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 139 | G | 35.1 | Very low | 42.2 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | cis | 137.7 | 94.7 | -6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 140 | A | 39.3 | Very low | 42.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -158 | 136.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 141 | D | 37.6 | Very low | 43.5 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -108 | 135.4 | -165.6 | -77.3 | -81.6 | 0 | 0 | 0 | 114.3 | | |
| 142 | F | 32.9 | Very low | 43.9 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | 51.4 | 157.7 | 152.6 | -75.3 | -90.6 | 0 | 0 | 0 | 122.1 | | |
| 143 | P | 56.3 | Low | 45.1 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | trans | -114.4 | 135 | -167.8 | 38.5 | -26.9 | 0 | 0 | 0 | 116.1 | | |
| 144 | V | 48 | Very low | 45.8 | Very low | 130 Ų | 130 | 142 Ų | 142 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | trans | -172 | 136.6 | 162 | 132.1 | 0 | 0 | 0 | 0 | 104.3 | | |
| 145 | D | 41 | Very low | 46 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 79% | 0.79 | S | S | * | * | | | cis | -126.7 | 142.6 | 25.4 | -88.5 | -62.5 | 0 | 0 | 0 | 111.8 | | |
| 146 | K | 46.1 | Very low | 46.5 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | | | | 82.9 | 150.8 | 73.6 | -137.6 | 143.1 | -178 | 178.3 | 0 | 113.8 | | |
| 147 | P | 45.4 | Very low | 46.5 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | | | cis | -123.1 | -174.3 | -23.2 | 25.5 | -2.7 | 0 | 0 | 0 | 113.7 | | |
| 148 | S | 49.3 | Very low | 47.6 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 43.3 | 102.5 | 151.9 | 56.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 149 | G | 49.8 | Very low | 48.7 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 177.2 | -118.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R151 | G149-R151 PolarHBondContact O-N 2.9Š|
| 150 | D | 49.9 | Very low | 49.5 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -87 | 108 | -175.7 | -69.1 | -75 | 0 | 0 | 0 | 114.3 | P152 | D150-P152 WeakPolarHBondContact O-CD 3.49Š|
| 151 | R | 50.4 | Low | 50.2 | Low | 232 Ų | 232 | 140.4 Ų | 140.4 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | -103.4 | 96.2 | 164.4 | -169.8 | 178.4 | -170.6 | 124 | -2.8 | 109.5 | G149 | G149-R151 PolarHBondContact O-N 2.9Š|
| 152 | P | 59.9 | Low | 51.1 | Low | 104 Ų | 104 | 137.5 Ų | 137.5 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | | | trans | -59.4 | 134.9 | 174.4 | 24.2 | -33.2 | 0 | 0 | 0 | 109.9 | D150 R154 | D150-P152 WeakPolarHBondContact O-CD 3.49Å; P152-R154 PolarHBondContact O-N 3.46Å |
| 153 | P | 60.9 | Low | 52.3 | Low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -67 | 106.2 | -172.6 | 24.8 | -33.5 | 0 | 0 | 0 | 111.3 | G155 | P153-G155 VanDerWaalsContact C-N 3.26Å; P153-G155 PolarHBondContact O-N 2.98Å |
| 154 | R | 55.6 | Low | 52.3 | Low | 254 Ų | 254 | 138.4 Ų | 138.4 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | | | trans | -75.2 | 73.5 | 176.9 | -168.8 | -172.7 | -171.6 | 98.5 | -5.4 | 110.6 | P152 | P152-R154 PolarHBondContact O-N 3.46Š|
| 155 | G | 42.6 | Very low | 52.5 | Low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -152.9 | 151 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P153 G157 | P153-G155 VanDerWaalsContact C-N 3.26Å; P153-G155 PolarHBondContact O-N 2.98Å; G155-G157 PolarHBondContact O-N 2.96Å; G155-G157 VanDerWaalsContact O-N 3.15Å |
| 156 | R | 56.2 | Low | 53.4 | Low | 268 Ų | 268 | 141.9 Ų | 141.9 | 100% | 1.011 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -72.1 | 101.8 | 173.1 | -72.1 | 178.8 | 173.5 | -178.1 | -1.7 | 109.7 | | |
| 157 | G | 48 | Very low | 54 | Low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -174.1 | 123.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G155 G159 | G155-G157 PolarHBondContact O-N 2.96Å; G155-G157 VanDerWaalsContact O-N 3.15Å; G157-G159 PolarHBondContact O-N 3.05Å |
| 158 | G | 61.7 | Low | 54.4 | Low | 85 Ų | 85 | 143.2 Ų | 143.2 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | | | trans | -77.1 | 109.4 | -169 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 159 | G | 56.1 | Low | 54.8 | Low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | | | trans | -94.6 | 135.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111 | G157 | G157-G159 PolarHBondContact O-N 3.05Š|
| 160 | R | 52.7 | Low | 55 | Low | 254 Ų | 254 | 147.2 Ų | 147.2 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | S | Bend | trans | 69.1 | 120.4 | -170.2 | -54.6 | 177.1 | 176.8 | 163.4 | -0.4 | 114.4 | | |
| 161 | G | 53.6 | Low | 55.4 | Low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | 75.8 | 35.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | R163 | G161-R163 PolarHBondContact O-N 3.15Š|
| 162 | G | 57.4 | Low | 55.8 | Low | 82 Ų | 82 | 141.1 Ų | 141.1 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -66.9 | 56.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 163 | R | 56.3 | Low | 55.7 | Low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -102.2 | 27.9 | 165.5 | -73.6 | -166.3 | -180 | -179 | 3.2 | 113.1 | G161 G165 | G161-R163 PolarHBondContact O-N 3.15Å; R163-G165 PolarHBondContact O-N 3.36Å |
| 164 | G | 57.3 | Low | 55.5 | Low | 88 Ų | 88 | 141.6 Ų | 141.6 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | | | trans | -72.5 | 68.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 165 | G | 53.2 | Low | 55.7 | Low | 59 Ų | 59 | 132.5 Ų | 132.5 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -174.7 | 125.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R163 G167 | R163-G165 PolarHBondContact O-N 3.36Å; G165-G167 VanDerWaalsContact C-N 3.33Å; G165-G167 PolarHBondContact O-N 3.28Å |
| 166 | R | 59.9 | Low | 57 | Low | 265 Ų | 265 | 136.6 Ų | 136.6 | 100% | 1 | 80% | 0.804 | S | S | * | * | | | trans | -76.1 | 82.6 | 179.5 | -61 | -179.5 | -174.7 | 94.1 | -0.2 | 109.6 | | |
| 167 | G | 58.5 | Low | 57.5 | Low | 61 Ų | 61 | 126.8 Ų | 126.8 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | -113.6 | 129.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G165 | G165-G167 VanDerWaalsContact C-N 3.33Å; G165-G167 PolarHBondContact O-N 3.28Å |
| 168 | R | 53.4 | Low | 58.2 | Low | 254 Ų | 254 | 129 Ų | 129 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 69.8 | 106.6 | -177.7 | -51.9 | 179.8 | -175 | -170.6 | -0.8 | 112.8 | | |
| 169 | G | 57.8 | Low | 58.4 | Low | 85 Ų | 85 | 134.3 Ų | 134.3 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | | | trans | -73.1 | 140.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 170 | M | 53 | Low | 59.2 | Low | 190 Ų | 190 | 132.7 Ų | 132.7 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | | | trans | -121.8 | 135.8 | 164.1 | -166.1 | 61.3 | 176.6 | 0 | 0 | 108 | R172 | M170-R172 PolarHBondContact O-N 2.85Š|
| 171 | G | 59 | Low | 59.8 | Low | 51 Ų | 51 | 125.9 Ų | 125.9 | 53% | 0.526 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -69 | 110.2 | -160.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 172 | R | 58.8 | Low | 60.9 | Low | 221 Ų | 221 | 129.8 Ų | 129.8 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | | | trans | -137.9 | 56.9 | 154.1 | -67.5 | -61.9 | 177.2 | -120.5 | 11.5 | 109.6 | M170 | M170-R172 PolarHBondContact O-N 2.85Š|
| 173 | G | 56.8 | Low | 61.6 | Low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | | | trans | -91 | -0.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G175 | G173-G175 PolarHBondContact O-N 3.39Š|
| 174 | E | 57.7 | Low | 62.2 | Low | 172 Ų | 172 | 122 Ų | 122 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -84.5 | 104.9 | 176.6 | -67.6 | 139.2 | 126 | 0 | 0 | 109.6 | | |
| 175 | G | 60.3 | Low | 63.3 | Low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 95.3 | 13 | 173 | 0 | 0 | 0 | 0 | 0 | 117.3 | G173 | G173-G175 PolarHBondContact O-N 3.39Š|
| 176 | F | 68.4 | Low | 64.8 | Low | 147 Ų | 147 | 131.3 Ų | 131.3 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | | | trans | -125.4 | 79.8 | 167.1 | -165.3 | -95.7 | 0 | 0 | 0 | 111.1 | S178 | F176-S178 PolarHBondContact O-N 3.35Å; F176-S178 VanDerWaalsContact O-N 3.08Å |
| 177 | D | 66.6 | Low | 65.6 | Low | 62 Ų | 62 | 124.5 Ų | 124.5 | 33% | 0.332 | 65% | 0.65 | S | S | . | * | | | trans | -62.6 | 113.8 | 178.8 | -171.9 | 0.9 | 0 | 0 | 0 | 111.1 | R179 G180 | D177-R179 PolarHBondContact O-N 2.84Å; D177-R179 VanDerWaalsContact O-N 3.11Å; D177-R179 WeakPolarHBondContact OD1-CB 3.36Å; D177-R179 PolarHBondContact OD1-N 3.14Å; D177-G180 PolarHBondContact O-N 3.07Å; D177-G180 VanDerWaalsContact O-N 3.16Å |
| 178 | S | 63.7 | Low | 66.5 | Low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -5.8 | 179.5 | -62.8 | 0 | 0 | 0 | 0 | 113.1 | F176 | F176-S178 PolarHBondContact O-N 3.35Å; F176-S178 VanDerWaalsContact O-N 3.08Å |
| 179 | R | 66.6 | Low | 67.4 | Low | 197 Ų | 197 | 119 Ų | 119 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 8.2 | 175.4 | -59.6 | 170.2 | 175.8 | 151.3 | -1.9 | 113.3 | D177 R182 | D177-R179 PolarHBondContact O-N 2.84Å; D177-R179 VanDerWaalsContact O-N 3.11Å; D177-R179 WeakPolarHBondContact OD1-CB 3.36Å; D177-R179 PolarHBondContact OD1-N 3.14Å; R179-R182 PolarHBondContact O-NH2 3.45Å |
| 180 | G | 71.1 | Confident | 68.2 | Low | 36 Ų | 36 | 119 Ų | 119 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | | | trans | 84.6 | 168.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D177 R182 | D177-G180 PolarHBondContact O-N 3.07Å; D177-G180 VanDerWaalsContact O-N 3.16Å; G180-R182 PolarHBondContact O-N 3Å |
| 181 | K | 65.8 | Low | 68.7 | Low | 110 Ų | 110 | 116.5 Ų | 116.5 | 48% | 0.478 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -70.8 | 35.7 | -159.4 | -71.5 | -76 | 163.1 | -160.3 | 0 | 117.3 | E183 F184 D185 | K181-E183 IonicContact NZ-OE1 2.63Å; K181-E183 PolarHBondContact NZ-OE1 2.96Å; K181-E183 PolarHBondContact O-N 3.47Å; K181-F184 HydrophobicContact CB-CD2 4.36Å; K181-F184 HydrophobicContact CD-CD2 3.31Å; K181-F184 HydrophobicContact CD-CE2 3.64Å; K181-F184 HydrophobicContact CD-CG 4.28Å; K181-F184 HydrophobicContact CG-CD2 4.44Å; K181-F184 VanDerWaalsContact NZ-CE2 3.25Å; K181-F184 PolarHBondContact O-N 2.74Å; K181-D185 PolarHBondContact O-N 2.84Å |
| 182 | R | 76.2 | Confident | 69 | Low | 161 Ų | 161 | 122.8 Ų | 122.8 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.4 | -20.7 | 175 | -87.6 | 174 | -76.6 | -150.2 | -7.8 | 114.5 | R179 G180 F184 D185 | R179-R182 PolarHBondContact O-NH2 3.45Å; G180-R182 PolarHBondContact O-N 3Å; R182-F184 PolarHBondContact O-N 2.93Å; R182-D185 WeakPolarHBondContact O-CB 3.35Å; R182-D185 PolarHBondContact O-N 2.86Å |
| 183 | E | 73.1 | Confident | 69.1 | Low | 66 Ų | 66 | 115 Ų | 115 | 31% | 0.308 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.3 | -29.4 | 167 | 70.1 | -158.7 | 160.8 | 0 | 0 | 112.1 | K181 H187 | K181-E183 IonicContact NZ-OE1 2.63Å; K181-E183 PolarHBondContact NZ-OE1 2.96Å; K181-E183 PolarHBondContact O-N 3.47Å; E183-H187 PolarHBondContact O-CD2 3.28Å |
| 184 | F | 69.4 | Low | 69.2 | Low | 93 Ų | 93 | 116.6 Ų | 116.6 | 41% | 0.408 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -93.9 | -11.3 | 176 | -66.7 | -93.7 | 0 | 0 | 0 | 113.7 | K181 R182 R186 H187 | K181-F184 HydrophobicContact CB-CD2 4.36Å; K181-F184 HydrophobicContact CD-CD2 3.31Å; K181-F184 HydrophobicContact CD-CE2 3.64Å; K181-F184 HydrophobicContact CD-CG 4.28Å; K181-F184 HydrophobicContact CG-CD2 4.44Å; K181-F184 VanDerWaalsContact NZ-CE2 3.25Å; K181-F184 PolarHBondContact O-N 2.74Å; R182-F184 PolarHBondContact O-N 2.93Å; F184-R186 PolarHBondContact O-N 3.48Å; F184-H187 CarbonylContact O-C 3.47Å; F184-H187 WeakPolarHBondContact O-CA 3.42Å; F184-H187 PolarHBondContact O-N 3.42Å |
| 185 | D | 80.1 | Confident | 69.3 | Low | 130 Ų | 130 | 115.6 Ų | 115.6 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.6 | -25.3 | -179.7 | -168.4 | 53.2 | 0 | 0 | 0 | 112.6 | K181 R182 | K181-D185 PolarHBondContact O-N 2.84Å; R182-D185 WeakPolarHBondContact O-CB 3.35Å; R182-D185 PolarHBondContact O-N 2.86Å |
| 186 | R | 83.4 | Confident | 69.4 | Low | 214 Ų | 214 | 119 Ų | 119 | 81% | 0.808 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 9.9 | 170.3 | -65.7 | -172.1 | 177.9 | 81.5 | 0.5 | 114 | F184 | F184-R186 PolarHBondContact O-N 3.48Š|
| 187 | H | 78.4 | Confident | 68.8 | Low | 122 Ų | 122 | 118.6 Ų | 118.6 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -124.1 | 98.6 | -179.4 | -64.9 | -27.1 | 0 | 0 | 0 | 109.7 | E183 F184 T189 | E183-H187 PolarHBondContact O-CD2 3.28Å; F184-H187 CarbonylContact O-C 3.47Å; F184-H187 WeakPolarHBondContact O-CA 3.42Å; F184-H187 PolarHBondContact O-N 3.42Å; H187-T189 PolarHBondContact O-N 2.95Å; H187-T189 PolarHBondContact O-OG1 3.26Å |
| 188 | S | 77.2 | Confident | 68.5 | Low | 86 Ų | 86 | 123.3 Ų | 123.3 | 60% | 0.601 | 62% | 0.621 | S | S | * | * | | | trans | -47.4 | 102.2 | 173.9 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | N190 S193 | S188-N190 PolarHBondContact O-N 2.93Å; S188-N190 VanDerWaalsContact O-N 3.14Å; S188-S193 PolarHBondContact OG-OG 3.14Å |
| 189 | T | 72 | Confident | 68.2 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.693 | 62% | 0.62 | S | S | * | * | | | trans | -84.6 | 20.9 | -177.4 | -21.5 | 0 | 0 | 0 | 0 | 111.3 | H187 | H187-T189 PolarHBondContact O-N 2.95Å; H187-T189 PolarHBondContact O-OG1 3.26Å |
| 190 | N | 73.9 | Confident | 67.8 | Low | 86 Ų | 86 | 126.5 Ų | 126.5 | 46% | 0.46 | 62% | 0.621 | S | S | . | * | | | trans | -102.7 | 98.3 | 176.9 | 174.3 | 27 | 0 | 0 | 0 | 107.6 | S188 K192 S193 | S188-N190 PolarHBondContact O-N 2.93Å; S188-N190 VanDerWaalsContact O-N 3.14Å; N190-K192 PolarHBondContact O-N 3.09Å; N190-K192 WeakPolarHBondContact OD1-CB 3.45Å; N190-K192 WeakPolarHBondContact OD1-CG 3.46Å; N190-S193 PolarHBondContact O-N 2.84Å; N190-S193 PolarHBondContact O-OG 2.75Å |
| 191 | D | 64.5 | Low | 67.2 | Low | 137 Ų | 137 | 127.7 Ų | 127.7 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -52.8 | -21.7 | -175.1 | -56.3 | -64.2 | 0 | 0 | 0 | 113.7 | S193 S194 | D191-S193 PolarHBondContact O-N 2.97Å; D191-S194 VanDerWaalsContact O-CB 3.31Å; D191-S194 WeakPolarHBondContact O-CB 3.43Å; D191-S194 PolarHBondContact O-N 2.82Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-S194 PolarHBondContact O-OG 2.95Å |
| 192 | K | 64.2 | Low | 66.9 | Low | 182 Ų | 182 | 122.9 Ų | 122.9 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -61.3 | -23.4 | 175.7 | -58.3 | 179 | -178.6 | 178.9 | 0 | 114.2 | N190 | N190-K192 PolarHBondContact O-N 3.09Å; N190-K192 WeakPolarHBondContact OD1-CB 3.45Å; N190-K192 WeakPolarHBondContact OD1-CG 3.46Å |
| 193 | S | 60.8 | Low | 66 | Low | 58 Ų | 58 | 120.8 Ų | 120.8 | 41% | 0.406 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -92.5 | 4.1 | 176.1 | 68.8 | 0 | 0 | 0 | 0 | 114 | S188 N190 D191 K195 | S188-S193 PolarHBondContact OG-OG 3.14Å; N190-S193 PolarHBondContact O-N 2.84Å; N190-S193 PolarHBondContact O-OG 2.75Å; D191-S193 PolarHBondContact O-N 2.97Å; S193-K195 PolarHBondContact O-N 2.97Å |
| 194 | S | 59.7 | Low | 65.6 | Low | 101 Ų | 101 | 119.7 Ų | 119.7 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -68.4 | -22.3 | 175.2 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | D191 T196 | D191-S194 VanDerWaalsContact O-CB 3.31Å; D191-S194 WeakPolarHBondContact O-CB 3.43Å; D191-S194 PolarHBondContact O-N 2.82Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-S194 PolarHBondContact O-OG 2.95Å; S194-T196 PolarHBondContact O-N 3.41Å |
| 195 | K | 60.2 | Low | 65.3 | Low | 151 Ų | 151 | 120.8 Ų | 120.8 | 66% | 0.657 | 65% | 0.65 | S | S | * | * | | | trans | -81.3 | 102.7 | 162.5 | -73.4 | -169.7 | 169.7 | -163.9 | 0 | 109.8 | S193 E197 | S193-K195 PolarHBondContact O-N 2.97Å; K195-E197 HydrophobicContact CB-CB 4.28Å; K195-E197 IonicContact NZ-OE2 2.67Å; K195-E197 PolarHBondContact NZ-OE2 3.03Å; K195-E197 PolarHBondContact O-N 3.31Å |
| 196 | T | 61.3 | Low | 64.4 | Low | 132 Ų | 132 | 122.7 Ų | 122.7 | 81% | 0.81 | 65% | 0.654 | S | S | * | * | | | trans | -72 | 60.5 | 152.8 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | S194 E198 | S194-T196 PolarHBondContact O-N 3.41Å; T196-E198 PolarHBondContact O-N 3.39Å |
| 197 | E | 57.3 | Low | 63.8 | Low | 139 Ų | 139 | 115.8 Ų | 115.8 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | | | trans | -69.7 | 116.1 | 170.6 | -168 | 166.1 | 144.1 | 0 | 0 | 106.8 | K195 K199 | K195-E197 HydrophobicContact CB-CB 4.28Å; K195-E197 IonicContact NZ-OE2 2.67Å; K195-E197 PolarHBondContact NZ-OE2 3.03Å; K195-E197 PolarHBondContact O-N 3.31Å; E197-K199 PolarHBondContact O-N 3.27Å |
| 198 | E | 59.9 | Low | 63.5 | Low | 161 Ų | 161 | 122.5 Ų | 122.5 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | | | trans | -66.9 | 93.4 | -168.5 | -75.9 | -174.8 | 91.4 | 0 | 0 | 111.7 | T196 R200 | T196-E198 PolarHBondContact O-N 3.39Å; E198-R200 HydrophobicContact CB-CB 3.95Å; E198-R200 PolarHBondContact O-N 2.98Å; E198-R200 VanDerWaalsContact OE1-CD 3.26Å; E198-R200 WeakPolarHBondContact OE1-CD 3.39Å |
| 199 | K | 56.8 | Low | 63.2 | Low | 177 Ų | 177 | 120.5 Ų | 120.5 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | | | trans | -65.1 | 30.2 | 157.8 | -70.7 | -74.3 | -175 | 175.4 | 0 | 112.2 | E197 G201 | E197-K199 PolarHBondContact O-N 3.27Å; K199-G201 PolarHBondContact O-N 2.99Å |
| 200 | R | 58.7 | Low | 63.2 | Low | 202 Ų | 202 | 117 Ų | 117 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | | | trans | -84.2 | 47 | -178 | -164.9 | 168.8 | 178.1 | 69.6 | 4.8 | 110.8 | E198 | E198-R200 HydrophobicContact CB-CB 3.95Å; E198-R200 PolarHBondContact O-N 2.98Å; E198-R200 VanDerWaalsContact OE1-CD 3.26Å; E198-R200 WeakPolarHBondContact OE1-CD 3.39Å |
| 201 | G | 58.5 | Low | 62.9 | Low | 61 Ų | 61 | 118.2 Ų | 118.2 | 63% | 0.629 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -167.2 | 63.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | K199 S203 | K199-G201 PolarHBondContact O-N 2.99Å; G201-S203 PolarHBondContact O-N 2.96Å |
| 202 | G | 59.6 | Low | 63.1 | Low | 8 Ų | 8 | 119.6 Ų | 119.6 | 8% | 0.082 | 64% | 0.635 | C | S | . | * | | | trans | -74.9 | 27.4 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G204 N207 | G202-G204 PolarHBondContact O-N 3.27Å; G202-N207 VanDerWaalsContact C-ND2 3.26Å; G202-N207 VanDerWaalsContact O-CB 3.25Å; G202-N207 WeakPolarHBondContact O-CB 3.47Å; G202-N207 PolarHBondContact O-ND2 3.35Å |
| 203 | S | 57.4 | Low | 63.4 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | | | trans | -67.2 | 105.4 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 110.5 | G201 | G201-S203 PolarHBondContact O-N 2.96Š|
| 204 | G | 64 | Low | 63.8 | Low | 43 Ų | 43 | 116 Ų | 116 | 44% | 0.443 | 62% | 0.616 | S | S | . | * | S | Bend | trans | 152.4 | 142 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | G202 H206 N207 | G202-G204 PolarHBondContact O-N 3.27Å; G204-H206 PolarHBondContact O-N 2.85Å; G204-N207 PolarHBondContact N-ND2 3.38Å; G204-N207 PolarHBondContact O-N 3Å; G204-N207 PolarHBondContact O-ND2 3.44Å |
| 205 | S | 62.5 | Low | 64.3 | Low | 117 Ų | 117 | 115.5 Ų | 115.5 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 4.8 | -167.7 | 58.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 206 | H | 62.9 | Low | 64.8 | Low | 169 Ų | 169 | 110.2 Ų | 110.2 | 78% | 0.782 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 5.7 | -179.5 | -68.3 | 64.5 | 0 | 0 | 0 | 112.5 | G204 | G204-H206 PolarHBondContact O-N 2.85Š|
| 207 | N | 71.1 | Confident | 65 | Low | 70 Ų | 70 | 110.2 Ų | 110.2 | 37% | 0.374 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -89.1 | 143.1 | 171.2 | -57.8 | -64.5 | 0 | 0 | 0 | 109.5 | G202 G204 G209 | G202-N207 VanDerWaalsContact C-ND2 3.26Å; G202-N207 VanDerWaalsContact O-CB 3.25Å; G202-N207 WeakPolarHBondContact O-CB 3.47Å; G202-N207 PolarHBondContact O-ND2 3.35Å; G204-N207 PolarHBondContact N-ND2 3.38Å; G204-N207 PolarHBondContact O-N 3Å; G204-N207 PolarHBondContact O-ND2 3.44Å; N207-G209 PolarHBondContact O-N 2.94Å |
| 208 | W | 71.3 | Confident | 65.3 | Low | 263 Ų | 263 | 106.6 Ų | 106.6 | 100% | 0.996 | 58% | 0.575 | S | S | * | * | | | trans | -83.3 | 39.3 | -176.3 | -72.1 | 60 | 0 | 0 | 0 | 112.4 | | |
| 209 | G | 70.1 | Confident | 65.3 | Low | 43 Ų | 43 | 106.2 Ų | 106.2 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | | | trans | 63.5 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N207 | N207-G209 PolarHBondContact O-N 2.94Š|
| 210 | T | 72.7 | Confident | 65.1 | Low | 40 Ų | 40 | 104.9 Ų | 104.9 | 25% | 0.245 | 57% | 0.57 | C | S | . | * | | | trans | -135.7 | 157.2 | 152.6 | 77.8 | 0 | 0 | 0 | 0 | 108.1 | K212 D213 E214 | T210-K212 PolarHBondContact O-N 2.73Å; T210-K212 PolarHBondContact OG1-N 2.8Å; T210-D213 WeakPolarHBondContact CB-OD2 3.4Å; T210-D213 WeakPolarHBondContact CG2-OD2 3.43Å; T210-D213 PolarHBondContact N-OD2 2.75Å; T210-D213 WeakPolarHBondContact O-CA 3.44Å; T210-D213 WeakPolarHBondContact O-CB 3.26Å; T210-D213 PolarHBondContact O-N 2.77Å; T210-D213 PolarHBondContact OG1-N 3.43Å; T210-D213 PolarHBondContact OG1-OD2 3.26Å; T210-E214 PolarHBondContact O-N 2.96Å; T210-E214 VanDerWaalsContact O-N 3.09Å |
| 211 | V | 67.1 | Low | 64.4 | Low | 112 Ų | 112 | 100.4 Ų | 100.4 | 68% | 0.679 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.9 | -17.1 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 113 | E214 V215 | V211-E214 WeakPolarHBondContact CA-OE2 3.49Å; V211-V215 WeakPolarHBondContact O-CG2 3.5Å |
| 212 | K | 68.8 | Low | 63.8 | Low | 166 Ų | 166 | 101.1 Ų | 101.1 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85.7 | -28.8 | 173.8 | -168.1 | 161.9 | 178.8 | 56.4 | 0 | 113 | T210 S216 | T210-K212 PolarHBondContact O-N 2.73Å; T210-K212 PolarHBondContact OG1-N 2.8Å; K212-S216 PolarHBondContact O-N 3.16Å |
| 213 | D | 71.6 | Confident | 62.7 | Low | 48 Ų | 48 | 104.6 Ų | 104.6 | 26% | 0.257 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.2 | -44.2 | 171.7 | -54.6 | -65.1 | 0 | 0 | 0 | 109.7 | T210 V215 S216 E217 | T210-D213 WeakPolarHBondContact CB-OD2 3.4Å; T210-D213 WeakPolarHBondContact CG2-OD2 3.43Å; T210-D213 PolarHBondContact N-OD2 2.75Å; T210-D213 WeakPolarHBondContact O-CA 3.44Å; T210-D213 WeakPolarHBondContact O-CB 3.26Å; T210-D213 PolarHBondContact O-N 2.77Å; T210-D213 PolarHBondContact OG1-N 3.43Å; T210-D213 PolarHBondContact OG1-OD2 3.26Å; D213-V215 VanDerWaalsContact C-N 3.33Å; D213-V215 PolarHBondContact O-N 3.02Å; D213-S216 WeakPolarHBondContact CA-OG 3.34Å; D213-S216 CarbonylContact O-C 3.5Å; D213-S216 WeakPolarHBondContact O-CA 3.42Å; D213-S216 PolarHBondContact O-N 2.82Å; D213-S216 PolarHBondContact O-OG 2.97Å; D213-E217 PolarHBondContact O-N 2.81Å |
| 214 | E | 68.8 | Low | 62 | Low | 116 Ų | 116 | 104.8 Ų | 104.8 | 54% | 0.542 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -52.8 | -45.6 | 175.1 | -66.9 | 173.3 | 165.2 | 0 | 0 | 112.8 | T210 V211 E217 A218 | T210-E214 PolarHBondContact O-N 2.96Å; T210-E214 VanDerWaalsContact O-N 3.09Å; V211-E214 WeakPolarHBondContact CA-OE2 3.49Å; E214-E217 PolarHBondContact O-N 2.8Å; E214-A218 PolarHBondContact O-N 3.47Å |
| 215 | V | 70.4 | Confident | 60.8 | Low | 90 Ų | 90 | 111.2 Ų | 111.2 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.5 | -39.1 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | V211 D213 E217 E219 | V211-V215 WeakPolarHBondContact O-CG2 3.5Å; D213-V215 VanDerWaalsContact C-N 3.33Å; D213-V215 PolarHBondContact O-N 3.02Å; V215-E217 VanDerWaalsContact C-N 3.34Å; V215-E219 WeakPolarHBondContact O-CB 3.42Å; V215-E219 PolarHBondContact O-N 2.96Å |
| 216 | S | 71.1 | Confident | 59.9 | Low | 40 Ų | 40 | 111.9 Ų | 111.9 | 28% | 0.28 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -74.3 | -23.4 | 178.5 | 73 | 0 | 0 | 0 | 0 | 113.8 | K212 D213 Q220 | K212-S216 PolarHBondContact O-N 3.16Å; D213-S216 WeakPolarHBondContact CA-OG 3.34Å; D213-S216 CarbonylContact O-C 3.5Å; D213-S216 WeakPolarHBondContact O-CA 3.42Å; D213-S216 PolarHBondContact O-N 2.82Å; D213-S216 PolarHBondContact O-OG 2.97Å; S216-Q220 VanDerWaalsContact O-CB 3.29Å; S216-Q220 WeakPolarHBondContact O-CB 3.31Å; S216-Q220 VanDerWaalsContact O-CG 3.26Å; S216-Q220 WeakPolarHBondContact O-CG 3.38Å; S216-Q220 PolarHBondContact O-N 2.75Å; S216-Q220 PolarHBondContact O-NE2 3.29Å |
| 217 | E | 64.1 | Low | 58.4 | Low | 133 Ų | 133 | 109.8 Ų | 109.8 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75 | -45.8 | 172.3 | -172.7 | 170.4 | 179.4 | 0 | 0 | 109.9 | D213 E214 V215 E219 Q220 T221 | D213-E217 PolarHBondContact O-N 2.81Å; E214-E217 PolarHBondContact O-N 2.8Å; V215-E217 VanDerWaalsContact C-N 3.34Å; E217-E219 VanDerWaalsContact C-N 3.3Å; E217-E219 PolarHBondContact O-N 2.93Å; E217-Q220 PolarHBondContact O-N 3.11Å; E217-Q220 VanDerWaalsContact O-N 3.15Å; E217-T221 WeakPolarHBondContact O-CG2 3.22Å; E217-T221 PolarHBondContact O-N 2.76Å; E217-T221 PolarHBondContact O-OG1 2.94Å |
| 218 | A | 64.7 | Low | 57.2 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 52% | 0.521 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -56.4 | -43 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E214 T221 | E214-A218 PolarHBondContact O-N 3.47Å; A218-T221 PolarHBondContact O-N 3.29Å; A218-T221 PolarHBondContact O-OG1 3.39Å |
| 219 | E | 59.4 | Low | 55.3 | Low | 152 Ų | 152 | 108.6 Ų | 108.6 | 71% | 0.71 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.1 | -34.7 | 176.7 | -166.2 | 168.1 | -147.5 | 0 | 0 | 112.7 | V215 E217 A222 | V215-E219 WeakPolarHBondContact O-CB 3.42Å; V215-E219 PolarHBondContact O-N 2.96Å; E217-E219 VanDerWaalsContact C-N 3.3Å; E217-E219 PolarHBondContact O-N 2.93Å; E219-A222 WeakPolarHBondContact O-CB 3.42Å; E219-A222 PolarHBondContact O-N 3.03Å |
| 220 | Q | 52.5 | Low | 53.5 | Low | 149 Ų | 149 | 110 Ų | 110 | 70% | 0.696 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.9 | -25.6 | 174.6 | -80.1 | 168.5 | 75.5 | 0 | 0 | 113.9 | S216 E217 A222 | S216-Q220 VanDerWaalsContact O-CB 3.29Å; S216-Q220 WeakPolarHBondContact O-CB 3.31Å; S216-Q220 VanDerWaalsContact O-CG 3.26Å; S216-Q220 WeakPolarHBondContact O-CG 3.38Å; S216-Q220 PolarHBondContact O-N 2.75Å; S216-Q220 PolarHBondContact O-NE2 3.29Å; E217-Q220 PolarHBondContact O-N 3.11Å; E217-Q220 VanDerWaalsContact O-N 3.15Å; Q220-A222 PolarHBondContact O-N 2.8Å |
| 221 | T | 43.3 | Very low | 51.6 | Low | 108 Ų | 108 | 117.3 Ų | 117.3 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -10.4 | 170.5 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | E217 A218 A223 | E217-T221 WeakPolarHBondContact O-CG2 3.22Å; E217-T221 PolarHBondContact O-N 2.76Å; E217-T221 PolarHBondContact O-OG1 2.94Å; A218-T221 PolarHBondContact O-N 3.29Å; A218-T221 PolarHBondContact O-OG1 3.39Å; T221-A223 PolarHBondContact O-N 3.23Å; T221-A223 VanDerWaalsContact O-N 3.14Å |
| 222 | A | 47 | Very low | 50.2 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | | | trans | -84.7 | 39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E219 Q220 | E219-A222 WeakPolarHBondContact O-CB 3.42Å; E219-A222 PolarHBondContact O-N 3.03Å; Q220-A222 PolarHBondContact O-N 2.8Å |
| 223 | A | 35.1 | Very low | 48.2 | Very low | 80 Ų | 80 | 119 Ų | 119 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 125.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | T221 | T221-A223 PolarHBondContact O-N 3.23Å; T221-A223 VanDerWaalsContact O-N 3.14Å |
| 224 | P | 44.5 | Very low | 46.4 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 156.4 | -174.9 | 29.2 | -35.5 | 0 | 0 | 0 | 113.5 | | |
| 225 | E | 37.2 | Very low | 45.4 | Very low | 178 Ų | 178 | 121.3 Ų | 121.3 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.3 | 176.3 | -71.3 | -175.2 | 104.7 | 0 | 0 | 112.8 | T227 | E225-T227 PolarHBondContact O-N 2.89Š|
| 226 | P | 44.2 | Very low | 43.6 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 84% | 0.844 | 73% | 0.73 | S | S | * | * | | | trans | -82.7 | 109.8 | 170.9 | 32.1 | -31.9 | 0 | 0 | 0 | 111.4 | | |
| 227 | T | 31.2 | Very low | 41.5 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -116.6 | 144.7 | 163.8 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | E225 | E225-T227 PolarHBondContact O-N 2.89Š|
| 228 | P | 45.5 | Very low | 40.2 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -111.9 | 171.1 | -159 | 43.4 | -37 | 0 | 0 | 0 | 116.1 | | |
| 229 | E | 31.5 | Very low | 38.7 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | | | trans | 74.7 | 154 | 165 | -50.5 | -169.7 | 162.7 | 0 | 0 | 118.8 | | |
| 230 | G | 32.1 | Very low | 37.3 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | 89 | 91 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 231 | E | 33.5 | Very low | 36.8 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | | 85.1 | 106.7 | 59.6 | -162.6 | 169.1 | -149.5 | 0 | 0 | 114.5 | | |
| 232 | E | 38.1 | Very low | 36.3 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 2 | 121.4 | 159.3 | -161.7 | 173 | -120.2 | 0 | 0 | 120.2 | | |
| 233 | N | 26.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | | 178.5 | 154.1 | 116.1 | -103.8 | -82.8 | 0 | 0 | 0 | 115.3 | | |
| 234 | A | 32.5 | Very low | 35.6 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -158.5 | 169.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 235 | P | 48.9 | Very low | 34.9 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | cis | -132 | 164.3 | -4 | 41 | -26.1 | 0 | 0 | 0 | 115.1 | | |
| 236 | A | 33.3 | Very low | 34.8 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -178 | 150.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 237 | G | 27.1 | Very low | 34.7 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | cis | 157.6 | 65.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 238 | S | 35.2 | Very low | 34.8 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -172.1 | 154.7 | 168.8 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 239 | E | 33.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | cis | -160.8 | 138.5 | -22.6 | 174.4 | 179.3 | 154.6 | 0 | 0 | 108.8 | | |
| 240 | N | 30.4 | Very low | 35.3 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | | | trans | 43.6 | 99.4 | 161.3 | -64.3 | -34.6 | 0 | 0 | 0 | 119.7 | | |
| 241 | K | 41.5 | Very low | 35.8 | Very low | 209 Ų | 209 | 148.8 Ų | 148.8 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | | -155.3 | 71.9 | 109.8 | -152.8 | 145.9 | -165.7 | 167.2 | 0 | 113.8 | | |
| 242 | E | 33.8 | Very low | 36.2 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -64.3 | 141 | 163.7 | -61.8 | 176.2 | 151.3 | 0 | 0 | 110.2 | | |
| 243 | N | 31.8 | Very low | 37.1 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -151.1 | 139.3 | 144.1 | -148.4 | 92.3 | 0 | 0 | 0 | 107.7 | | |
| 244 | E | 34.7 | Very low | 37.9 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -49.4 | 143.6 | -171.8 | -73.1 | 158.5 | 120 | 0 | 0 | 113.8 | | |
| 245 | V | 30.4 | Very low | 38.8 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | | | | 57 | 122.7 | 68.1 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 246 | E | 35.5 | Very low | 39.1 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | cis | -146.5 | -164.8 | 29.1 | -149.6 | 158.2 | -150.2 | 0 | 0 | 112.7 | | |
| 247 | E | 43 | Very low | 40.5 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | | | trans | -43.6 | 135.2 | -168.8 | -58.3 | -168.3 | 97.9 | 0 | 0 | 119.3 | K249 | E247-K249 WeakPolarHBondContact OE1-CE 3.37Å; E247-K249 IonicContact OE1-NZ 2.66Å; E247-K249 PolarHBondContact OE1-NZ 3.21Å; E247-K249 IonicContact OE2-NZ 3.38Å; E247-K249 PolarHBondContact OE2-NZ 2.58Å |
| 248 | V | 33.4 | Very low | 41.9 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | -127.4 | 127.7 | 139.8 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 249 | K | 41.9 | Very low | 43.5 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 61% | 0.613 | 76% | 0.756 | S | S | * | * | | | trans | -90.9 | 137.3 | -176 | -65.3 | 176.2 | 173.6 | 63.6 | 0 | 111.6 | E247 | E247-K249 WeakPolarHBondContact OE1-CE 3.37Å; E247-K249 IonicContact OE1-NZ 2.66Å; E247-K249 PolarHBondContact OE1-NZ 3.21Å; E247-K249 IonicContact OE2-NZ 3.38Å; E247-K249 PolarHBondContact OE2-NZ 2.58Å |
| 250 | Q | 45 | Very low | 45.7 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | | | trans | 50.5 | 110 | 157.9 | -60.8 | -179.6 | 3.5 | 0 | 0 | 119 | | |
| 251 | E | 42.1 | Very low | 47.4 | Very low | 204 Ų | 204 | 149.9 Ų | 149.9 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | | | trans | -133.8 | 160 | 133.6 | -77.4 | -155.2 | 161.3 | 0 | 0 | 110.2 | | |
| 252 | G | 42.1 | Very low | 48.8 | Very low | 67 Ų | 67 | 145.2 Ų | 145.2 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | trans | -90 | -169.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 253 | P | 55.9 | Low | 50.1 | Low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | | | trans | -70 | 136.9 | -172.4 | 29.3 | -35.5 | 0 | 0 | 0 | 112.5 | E255 | P253-E255 PolarHBondContact O-N 3.37Š|
| 254 | K | 44.5 | Very low | 51.5 | Low | 204 Ų | 204 | 137 Ų | 137 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | | | trans | -87.4 | 101 | 172.7 | -166.2 | 165 | -172.7 | 171.1 | 0 | 110.9 | M256 | K254-M256 PolarHBondContact O-N 3.42Š|
| 255 | E | 51.3 | Low | 52.6 | Low | 160 Ų | 160 | 132.5 Ų | 132.5 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | | | trans | -59 | 119.5 | 176.4 | -57.3 | 173.4 | 154.4 | 0 | 0 | 111.4 | P253 T257 | P253-E255 PolarHBondContact O-N 3.37Å; E255-T257 PolarHBondContact O-N 3.13Å |
| 256 | M | 54.9 | Low | 54 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | | | trans | -77.7 | 115 | 157.9 | -69.7 | -58.3 | -61.4 | 0 | 0 | 107.3 | K254 E260 | K254-M256 PolarHBondContact O-N 3.42Å; M256-E260 VanDerWaalsContact CE-OE2 3.27Å; M256-E260 WeakPolarHBondContact CE-OE2 3.45Å |
| 257 | T | 62.9 | Low | 55.3 | Low | 74 Ų | 74 | 129.2 Ų | 129.2 | 45% | 0.454 | 65% | 0.65 | S | S | . | * | | | trans | -70.5 | 140.5 | -160.4 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | E255 D259 E260 | E255-T257 PolarHBondContact O-N 3.13Å; T257-D259 PolarHBondContact O-N 2.64Å; T257-E260 PolarHBondContact O-N 3.39Å; T257-E260 VanDerWaalsContact O-N 3.12Å |
| 258 | L | 57.5 | Low | 56.1 | Low | 137 Ų | 137 | 129.5 Ų | 129.5 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -59.5 | -17.2 | -173.8 | -67.6 | 171.8 | 0 | 0 | 0 | 114.6 | K262 | L258-K262 WeakPolarHBondContact O-CG 3.32Å; L258-K262 PolarHBondContact O-N 2.9Å |
| 259 | D | 67.3 | Low | 57.3 | Low | 104 Ų | 104 | 130.8 Ų | 130.8 | 56% | 0.556 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -79.5 | -23.6 | -179 | -64 | -30.3 | 0 | 0 | 0 | 112.8 | T257 K262 A263 | T257-D259 PolarHBondContact O-N 2.64Å; D259-K262 WeakPolarHBondContact OD1-CD 3.49Å; D259-K262 WeakPolarHBondContact OD1-CE 3.29Å; D259-K262 IonicContact OD1-NZ 3.45Å; D259-K262 PolarHBondContact OD1-NZ 2.81Å; D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.84Å |
| 260 | E | 79.3 | Confident | 57.8 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 51% | 0.509 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.2 | -40.2 | 172.6 | -63.2 | -172.9 | 158.9 | 0 | 0 | 111.3 | M256 T257 A263 M264 | M256-E260 VanDerWaalsContact CE-OE2 3.27Å; M256-E260 WeakPolarHBondContact CE-OE2 3.45Å; T257-E260 PolarHBondContact O-N 3.39Å; T257-E260 VanDerWaalsContact O-N 3.12Å; E260-A263 PolarHBondContact O-N 3.45Å; E260-M264 WeakPolarHBondContact O-CG 3.41Å; E260-M264 PolarHBondContact O-N 3.47Å |
| 261 | W | 66.2 | Low | 58.5 | Low | 203 Ų | 203 | 127.5 Ų | 127.5 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.2 | -39.2 | 175 | -107.6 | 89.7 | 0 | 0 | 0 | 112.8 | A263 M264 Q265 | W261-A263 VanDerWaalsContact C-N 3.31Å; W261-A263 PolarHBondContact O-N 3.3Å; W261-M264 WeakPolarHBondContact O-CB 3.4Å; W261-M264 PolarHBondContact O-N 3.23Å; W261-M264 VanDerWaalsContact O-N 3.12Å; W261-Q265 PolarHBondContact O-N 3.47Å |
| 262 | K | 70.8 | Confident | 59.5 | Low | 110 Ų | 110 | 123.2 Ų | 123.2 | 48% | 0.478 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.4 | -42.7 | 170.4 | -68 | 169.4 | -156.8 | 160 | 0 | 111 | L258 D259 M264 Q265 D266 | L258-K262 WeakPolarHBondContact O-CG 3.32Å; L258-K262 PolarHBondContact O-N 2.9Å; D259-K262 WeakPolarHBondContact OD1-CD 3.49Å; D259-K262 WeakPolarHBondContact OD1-CE 3.29Å; D259-K262 IonicContact OD1-NZ 3.45Å; D259-K262 PolarHBondContact OD1-NZ 2.81Å; K262-M264 PolarHBondContact O-N 2.87Å; K262-M264 VanDerWaalsContact O-N 3.1Å; K262-Q265 PolarHBondContact O-N 2.82Å; K262-Q265 VanDerWaalsContact O-N 3.17Å; K262-D266 WeakPolarHBondContact O-CB 3.42Å; K262-D266 PolarHBondContact O-N 2.92Å |
| 263 | A | 62 | Low | 60.5 | Low | 42 Ų | 42 | 127.6 Ų | 127.6 | 35% | 0.347 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.3 | -5.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D259 E260 W261 K267 | D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.84Å; E260-A263 PolarHBondContact O-N 3.45Å; W261-A263 VanDerWaalsContact C-N 3.31Å; W261-A263 PolarHBondContact O-N 3.3Å; A263-K267 WeakPolarHBondContact O-CD 3.26Å; A263-K267 WeakPolarHBondContact O-CE 3.3Å; A263-K267 WeakPolarHBondContact O-CG 3.25Å; A263-K267 PolarHBondContact O-NZ 2.97Å |
| 264 | M | 60.5 | Low | 60.8 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 56% | 0.562 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -89.3 | -53.9 | 165.5 | -63.1 | -80.6 | -100.9 | 0 | 0 | 109.8 | E260 W261 K262 D266 K267 E268 | E260-M264 WeakPolarHBondContact O-CG 3.41Å; E260-M264 PolarHBondContact O-N 3.47Å; W261-M264 WeakPolarHBondContact O-CB 3.4Å; W261-M264 PolarHBondContact O-N 3.23Å; W261-M264 VanDerWaalsContact O-N 3.12Å; K262-M264 PolarHBondContact O-N 2.87Å; K262-M264 VanDerWaalsContact O-N 3.1Å; M264-D266 VanDerWaalsContact C-N 3.32Å; M264-D266 PolarHBondContact O-N 2.9Å; M264-K267 WeakPolarHBondContact O-CA 3.1Å; M264-K267 WeakPolarHBondContact O-CB 3.37Å; M264-K267 PolarHBondContact O-N 2.75Å; M264-E268 PolarHBondContact O-N 2.98Å; M264-E268 VanDerWaalsContact O-N 3.07Å |
| 265 | Q | 57.3 | Low | 61.8 | Low | 68 Ų | 68 | 127.6 Ų | 127.6 | 32% | 0.318 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.2 | -36.7 | 178.2 | -93.1 | -78.9 | -79.4 | 0 | 0 | 113.6 | W261 K262 K267 E268 R269 | W261-Q265 PolarHBondContact O-N 3.47Å; K262-Q265 PolarHBondContact O-N 2.82Å; K262-Q265 VanDerWaalsContact O-N 3.17Å; Q265-K267 VanDerWaalsContact C-N 3.29Å; Q265-K267 PolarHBondContact O-N 2.93Å; Q265-E268 PolarHBondContact NE2-OE2 2.92Å; Q265-E268 PolarHBondContact O-N 3.27Å; Q265-R269 VanDerWaalsContact O-CB 3.24Å; Q265-R269 WeakPolarHBondContact O-CB 3.16Å; Q265-R269 WeakPolarHBondContact O-CG 3.24Å; Q265-R269 PolarHBondContact O-N 3.23Å; Q265-R269 VanDerWaalsContact OE1-CZ 3.22Å |
| 266 | D | 60.9 | Low | 62.8 | Low | 103 Ų | 103 | 126.3 Ų | 126.3 | 55% | 0.551 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.7 | -14.7 | 177 | -71.4 | -28.8 | 0 | 0 | 0 | 113.3 | K262 M264 | K262-D266 WeakPolarHBondContact O-CB 3.42Å; K262-D266 PolarHBondContact O-N 2.92Å; M264-D266 VanDerWaalsContact C-N 3.32Å; M264-D266 PolarHBondContact O-N 2.9Å |
| 267 | K | 62.8 | Low | 63.5 | Low | 129 Ų | 129 | 128.6 Ų | 128.6 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.1 | -41.3 | 166.5 | -70.8 | 172.1 | -166 | 130.5 | 0 | 111.1 | A263 M264 Q265 R269 T270 | A263-K267 WeakPolarHBondContact O-CD 3.26Å; A263-K267 WeakPolarHBondContact O-CE 3.3Å; A263-K267 WeakPolarHBondContact O-CG 3.25Å; A263-K267 PolarHBondContact O-NZ 2.97Å; M264-K267 WeakPolarHBondContact O-CA 3.1Å; M264-K267 WeakPolarHBondContact O-CB 3.37Å; M264-K267 PolarHBondContact O-N 2.75Å; Q265-K267 VanDerWaalsContact C-N 3.29Å; Q265-K267 PolarHBondContact O-N 2.93Å; K267-R269 VanDerWaalsContact C-N 3.35Å; K267-T270 VanDerWaalsContact O-CB 3.29Å; K267-T270 WeakPolarHBondContact O-CB 3.25Å; K267-T270 VanDerWaalsContact O-CG2 3.25Å; K267-T270 WeakPolarHBondContact O-CG2 3.15Å; K267-T270 PolarHBondContact O-N 2.97Å; K267-T270 PolarHBondContact O-OG1 3.49Å |
| 268 | E | 60.3 | Low | 64.1 | Low | 143 Ų | 143 | 132.4 Ų | 132.4 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.3 | -35 | 175.2 | -64.9 | 170.6 | 155.9 | 0 | 0 | 111.6 | M264 Q265 T270 | M264-E268 PolarHBondContact O-N 2.98Å; M264-E268 VanDerWaalsContact O-N 3.07Å; Q265-E268 PolarHBondContact NE2-OE2 2.92Å; Q265-E268 PolarHBondContact O-N 3.27Å; E268-T270 PolarHBondContact O-N 2.87Å |
| 269 | R | 57.1 | Low | 64.4 | Low | 175 Ų | 175 | 132 Ų | 132 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 28.7 | 169.7 | -59.8 | 168.6 | -174.1 | -147.8 | 2.6 | 112.3 | Q265 K267 K271 | Q265-R269 VanDerWaalsContact O-CB 3.24Å; Q265-R269 WeakPolarHBondContact O-CB 3.16Å; Q265-R269 WeakPolarHBondContact O-CG 3.24Å; Q265-R269 PolarHBondContact O-N 3.23Å; Q265-R269 VanDerWaalsContact OE1-CZ 3.22Å; K267-R269 VanDerWaalsContact C-N 3.35Å; R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 2.95Å |
| 270 | T | 53.8 | Low | 64.1 | Low | 99 Ų | 99 | 133.8 Ų | 133.8 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | | | trans | -65.6 | 92.4 | 174.4 | 34.5 | 0 | 0 | 0 | 0 | 110.7 | K267 E268 | K267-T270 VanDerWaalsContact O-CB 3.29Å; K267-T270 WeakPolarHBondContact O-CB 3.25Å; K267-T270 VanDerWaalsContact O-CG2 3.25Å; K267-T270 WeakPolarHBondContact O-CG2 3.15Å; K267-T270 PolarHBondContact O-N 2.97Å; K267-T270 PolarHBondContact O-OG1 3.49Å; E268-T270 PolarHBondContact O-N 2.87Å |
| 271 | K | 59.1 | Low | 63.1 | Low | 159 Ų | 159 | 134.1 Ų | 134.1 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | | | trans | 41.7 | 95.5 | 156.8 | -58.1 | 164.8 | -170.8 | 165.3 | 0 | 113.1 | R269 E273 | R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 2.95Å; K271-E273 HydrophobicContact CB-CG 3.9Å; K271-E273 WeakPolarHBondContact O-CG 3.38Å; K271-E273 PolarHBondContact O-N 3.12Å |
| 272 | V | 63.9 | Low | 62.8 | Low | 114 Ų | 114 | 127.4 Ų | 127.4 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | | | trans | -62 | 95.2 | 156 | -176.8 | 0 | 0 | 0 | 0 | 106.8 | F274 | V272-F274 HydrophobicContact CB-CD2 4.2Å; V272-F274 HydrophobicContact CB-CE2 3.78Å; V272-F274 HydrophobicContact CB-CZ 4.18Å; V272-F274 HydrophobicContact CG1-CD1 4.2Å; V272-F274 HydrophobicContact CG1-CD2 3.9Å; V272-F274 HydrophobicContact CG1-CE1 3.86Å; V272-F274 HydrophobicContact CG1-CE2 3.53Å; V272-F274 HydrophobicContact CG1-CG 4.23Å; V272-F274 HydrophobicContact CG1-CZ 3.51Å; V272-F274 WeakPolarHBondContact O-CD2 3.49Å; V272-F274 PolarHBondContact O-N 3.37Å |
| 273 | E | 62 | Low | 62.2 | Low | 159 Ų | 159 | 125.3 Ų | 125.3 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | | | trans | -75.4 | 71.3 | -178.1 | -66.9 | -162.2 | 153.9 | 0 | 0 | 109.7 | K271 N275 | K271-E273 HydrophobicContact CB-CG 3.9Å; K271-E273 WeakPolarHBondContact O-CG 3.38Å; K271-E273 PolarHBondContact O-N 3.12Å; E273-N275 PolarHBondContact O-N 2.9Å |
| 274 | F | 62.5 | Low | 61.9 | Low | 151 Ų | 151 | 129.5 Ų | 129.5 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | | | trans | -53.6 | 133.7 | 166.4 | -63.2 | -78 | 0 | 0 | 0 | 109.2 | V272 I276 | V272-F274 HydrophobicContact CB-CD2 4.2Å; V272-F274 HydrophobicContact CB-CE2 3.78Å; V272-F274 HydrophobicContact CB-CZ 4.18Å; V272-F274 HydrophobicContact CG1-CD1 4.2Å; V272-F274 HydrophobicContact CG1-CD2 3.9Å; V272-F274 HydrophobicContact CG1-CE1 3.86Å; V272-F274 HydrophobicContact CG1-CE2 3.53Å; V272-F274 HydrophobicContact CG1-CG 4.23Å; V272-F274 HydrophobicContact CG1-CZ 3.51Å; V272-F274 WeakPolarHBondContact O-CD2 3.49Å; V272-F274 PolarHBondContact O-N 3.37Å; F274-I276 HydrophobicContact CB-CD1 3.88Å; F274-I276 HydrophobicContact CB-CG1 3.75Å; F274-I276 PolarHBondContact O-N 3.38Å |
| 275 | N | 64.9 | Low | 62 | Low | 176 Ų | 176 | 126.9 Ų | 126.9 | 94% | 0.941 | 65% | 0.648 | S | S | * | * | | | trans | -71.1 | 60.6 | 172.6 | -82.1 | -57.6 | 0 | 0 | 0 | 111.6 | E273 R277 | E273-N275 PolarHBondContact O-N 2.9Å; N275-R277 PolarHBondContact O-N 2.96Å |
| 276 | I | 72 | Confident | 62.2 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | | | trans | -76.4 | 115.8 | 172.5 | -61 | 167.2 | 0 | 0 | 0 | 106.7 | F274 | F274-I276 HydrophobicContact CB-CD1 3.88Å; F274-I276 HydrophobicContact CB-CG1 3.75Å; F274-I276 PolarHBondContact O-N 3.38Å |
| 277 | R | 69.6 | Low | 62.2 | Low | 199 Ų | 199 | 138.4 Ų | 138.4 | 75% | 0.751 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 144.8 | 171.3 | -66.9 | -173.4 | 179.4 | 111.4 | 3.4 | 109.9 | N275 E281 | N275-R277 PolarHBondContact O-N 2.96Å; R277-E281 HydrophobicContact CB-CB 4.35Å |
| 278 | K | 77.2 | Confident | 62.2 | Low | 154 Ų | 154 | 140.2 Ų | 140.2 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 142.9 | -177.8 | -61.8 | -57.3 | -175.1 | -170.9 | 0 | 109.5 | N280 E281 | K278-N280 PolarHBondContact O-N 3.08Å; K278-E281 HydrophobicContact CB-CB 4.11Å; K278-E281 PolarHBondContact N-OE2 3.13Å; K278-E281 WeakPolarHBondContact O-CB 3.45Å; K278-E281 PolarHBondContact O-N 2.78Å |
| 279 | P | 63.2 | Low | 62.7 | Low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | 130.6 | 172.2 | -27.3 | 35.5 | 0 | 0 | 0 | 110.1 | | |
| 280 | N | 60.7 | Low | 63.4 | Low | 142 Ų | 142 | 137.5 Ų | 137.5 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80 | -6.5 | -172.2 | -149.2 | 41.3 | 0 | 0 | 0 | 117.3 | K278 G282 A283 | K278-N280 PolarHBondContact O-N 3.08Å; N280-G282 PolarHBondContact O-N 2.67Å; N280-A283 PolarHBondContact O-N 3.04Å; N280-A283 WeakPolarHBondContact OD1-CB 3.22Å |
| 281 | E | 59.2 | Low | 64.1 | Low | 116 Ų | 116 | 142.1 Ų | 142.1 | 54% | 0.542 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | 85.5 | 176.6 | -170.2 | 173.3 | -134.9 | 0 | 0 | 111.1 | R277 K278 | R277-E281 HydrophobicContact CB-CB 4.35Å; K278-E281 HydrophobicContact CB-CB 4.11Å; K278-E281 PolarHBondContact N-OE2 3.13Å; K278-E281 WeakPolarHBondContact O-CB 3.45Å; K278-E281 PolarHBondContact O-N 2.78Å |
| 282 | G | 60.1 | Low | 65 | Low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.4 | -0.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N280 D284 | N280-G282 PolarHBondContact O-N 2.67Å; G282-D284 PolarHBondContact O-N 3.13Å |
| 283 | A | 57.3 | Low | 65.5 | Low | 65 Ų | 65 | 141.2 Ų | 141.2 | 54% | 0.537 | 72% | 0.715 | S | S | . | * | | | trans | -74.5 | 22.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N280 S285 | N280-A283 PolarHBondContact O-N 3.04Å; N280-A283 WeakPolarHBondContact OD1-CB 3.22Å; A283-S285 VanDerWaalsContact C-N 3.34Å; A283-S285 PolarHBondContact O-N 3.45Å |
| 284 | D | 56.5 | Low | 65.6 | Low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | | | trans | -79.2 | 74.4 | -168.6 | -78.4 | -47.4 | 0 | 0 | 0 | 113.8 | G282 Q286 | G282-D284 PolarHBondContact O-N 3.13Å; D284-Q286 PolarHBondContact O-N 2.92Å |
| 285 | S | 61.7 | Low | 65.6 | Low | 59 Ų | 59 | 141.8 Ų | 141.8 | 41% | 0.413 | 72% | 0.716 | S | S | . | * | S | Bend | trans | 59.9 | -5.9 | 152 | -58.1 | 0 | 0 | 0 | 0 | 119 | A283 W287 K288 | A283-S285 VanDerWaalsContact C-N 3.34Å; A283-S285 PolarHBondContact O-N 3.45Å; S285-W287 PolarHBondContact O-N 3.11Å; S285-K288 WeakPolarHBondContact O-CB 3.05Å; S285-K288 PolarHBondContact O-N 2.89Å; S285-K288 PolarHBondContact OG-NZ 3.16Å |
| 286 | Q | 61 | Low | 65.3 | Low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -59.2 | -31.1 | 178.4 | -70.5 | -175.6 | -38.8 | 0 | 0 | 112.4 | D284 | D284-Q286 PolarHBondContact O-N 2.92Š|
| 287 | W | 61.2 | Low | 64.5 | Low | 245 Ų | 245 | 141.5 Ų | 141.5 | 93% | 0.928 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -86.4 | -3.6 | 178.8 | -57.9 | -7.4 | 0 | 0 | 0 | 114 | S285 K289 G290 | S285-W287 PolarHBondContact O-N 3.11Å; W287-K289 PolarHBondContact O-N 3.1Å; W287-G290 PolarHBondContact O-N 3.13Å |
| 288 | K | 63.5 | Low | 63.2 | Low | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.726 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -73.2 | -0.7 | 175 | -66.2 | 177.9 | -176.6 | 160.8 | 0 | 113.7 | S285 | S285-K288 WeakPolarHBondContact O-CB 3.05Å; S285-K288 PolarHBondContact O-N 2.89Å; S285-K288 PolarHBondContact OG-NZ 3.16Å |
| 289 | K | 69.8 | Low | 62 | Low | 197 Ų | 197 | 138.4 Ų | 138.4 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -102.5 | 24.9 | 175.7 | -67.2 | -177 | 176.9 | 178.8 | 0 | 113.3 | W287 | W287-K289 PolarHBondContact O-N 3.1Š|
| 290 | G | 71.9 | Confident | 61.1 | Low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | | | trans | -77.1 | 122.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W287 | W287-G290 PolarHBondContact O-N 3.13Š|
| 291 | Y | 68.9 | Low | 60.2 | Low | 197 Ų | 197 | 144 Ų | 144 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | | | trans | -88.5 | 123.7 | 177.1 | -149.2 | -89.5 | 0 | 0 | 0 | 110.2 | L293 | Y291-L293 PolarHBondContact O-N 2.63Š|
| 292 | V | 76.9 | Confident | 59.4 | Low | 105 Ų | 105 | 143.6 Ų | 143.6 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | -74 | 100.9 | -179.4 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | H294 | V292-H294 VanDerWaalsContact C-N 3.31Å; V292-H294 PolarHBondContact O-N 3.11Å |
| 293 | L | 74.6 | Confident | 58.3 | Low | 149 Ų | 149 | 147.4 Ų | 147.4 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -71.2 | -23.3 | -172.1 | -167.7 | 60.5 | 0 | 0 | 0 | 113.7 | Y291 | Y291-L293 PolarHBondContact O-N 2.63Š|
| 294 | H | 65.7 | Low | 57.7 | Low | 151 Ų | 151 | 147.9 Ų | 147.9 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | -119 | 102.1 | 176.2 | -66.5 | -72.1 | 0 | 0 | 0 | 111.6 | V292 S296 | V292-H294 VanDerWaalsContact C-N 3.31Å; V292-H294 PolarHBondContact O-N 3.11Å; H294-S296 PolarHBondContact O-N 3.2Å; H294-S296 VanDerWaalsContact O-N 3.09Å |
| 295 | K | 61.9 | Low | 57.1 | Low | 170 Ų | 170 | 146.2 Ų | 146.2 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | trans | -81.7 | 65.5 | 165.5 | -61.4 | 165.9 | -173.2 | 170.5 | 0 | 108.8 | K297 | K295-K297 PolarHBondContact O-N 3.43Š|
| 296 | S | 59.3 | Low | 56 | Low | 106 Ų | 106 | 150.9 Ų | 150.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -60.5 | 122.2 | 171.8 | 50 | 0 | 0 | 0 | 0 | 108.6 | H294 S298 | H294-S296 PolarHBondContact O-N 3.2Å; H294-S296 VanDerWaalsContact O-N 3.09Å; S296-S298 PolarHBondContact O-N 2.67Å |
| 297 | K | 53.4 | Low | 55 | Low | 197 Ų | 197 | 151.4 Ų | 151.4 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | -29.8 | 119.8 | -173.2 | -60.1 | 171.4 | -177.8 | 175.4 | 0 | 113.3 | K295 E299 | K295-K297 PolarHBondContact O-N 3.43Å; K297-E299 PolarHBondContact O-N 3.09Å; K297-E299 VanDerWaalsContact O-N 3.15Å |
| 298 | S | 44 | Very low | 53.8 | Low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -65.8 | 106.9 | 163.4 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | S296 D300 | S296-S298 PolarHBondContact O-N 2.67Å; S298-D300 PolarHBondContact O-N 2.78Å |
| 299 | E | 50.2 | Low | 52.5 | Low | 182 Ų | 182 | 142.8 Ų | 142.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -83.5 | 50.1 | -173.4 | -166.1 | 143.9 | -137.9 | 0 | 0 | 112.8 | K297 R301 | K297-E299 PolarHBondContact O-N 3.09Å; K297-E299 VanDerWaalsContact O-N 3.15Å; E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.35Å; E299-R301 VanDerWaalsContact O-N 3.13Å |
| 300 | D | 44.6 | Very low | 50.7 | Low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | trans | -79 | 80.9 | 163.1 | -82 | -52 | 0 | 0 | 0 | 109.2 | S298 | S298-D300 PolarHBondContact O-N 2.78Š|
| 301 | R | 42.1 | Very low | 48.9 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -123.8 | 100.1 | 166.5 | -167.9 | 172.9 | -173.5 | 179.1 | 1.7 | 110.9 | E299 | E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.35Å; E299-R301 VanDerWaalsContact O-N 3.13Å |
| 302 | P | 42 | Very low | 47.2 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -82.6 | 157.7 | -178.4 | 34.6 | -36.3 | 0 | 0 | 0 | 112.6 | | |
| 303 | V | 36.7 | Very low | 45.2 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 66.9 | 127 | 172.5 | -164.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 304 | G | 46.7 | Very low | 43.3 | Very low | 75 Ų | 75 | 143 Ų | 143 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -77.9 | 141.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 305 | A | 42.3 | Very low | 41.9 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | trans | -151.3 | 152.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 306 | L | 39.3 | Very low | 41.1 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | | | trans | 63.6 | 58.8 | 165.1 | -151 | 68.5 | 0 | 0 | 0 | 116.8 | D308 | L306-D308 PolarHBondContact O-N 2.66Š|
| 307 | I | 39.4 | Very low | 39.8 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 92% | 0.923 | 81% | 0.807 | S | S | * | * | | | trans | -84.3 | 71.4 | 145.9 | -53 | 176.1 | 0 | 0 | 0 | 107.4 | | |
| 308 | D | 35.9 | Very low | 39 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -163 | 112.2 | 159.3 | -151.2 | -5.8 | 0 | 0 | 0 | 111.1 | L306 | L306-D308 PolarHBondContact O-N 2.66Š|
| 309 | A | 36 | Very low | 38.6 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | 170.4 | 113.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 310 | S | 32.8 | Very low | 37.9 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | trans | -96.6 | 158.9 | 174.4 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 311 | E | 34.6 | Very low | 37.4 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | 47.4 | 118.5 | 160.1 | -62 | -178 | 136.1 | 0 | 0 | 119.9 | | |
| 312 | T | 31.9 | Very low | 37 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | | | | -173.3 | 171.6 | 116.1 | 20.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 313 | E | 35.1 | Very low | 36.6 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -84.4 | 154.6 | -168.7 | -47.9 | -178.1 | 131.2 | 0 | 0 | 114.4 | | |
| 314 | A | 35.5 | Very low | 36.4 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | | 171.5 | 119.6 | 124 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 315 | E | 36.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -83.6 | 139.2 | 143.7 | -94.9 | -90.3 | -174.7 | 0 | 0 | 106.7 | H317 | E315-H317 PolarHBondContact OE2-N 3.04Š|
| 316 | P | 44.6 | Very low | 36.1 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | | | | -151.2 | 154.4 | 84.4 | 38.8 | -21.4 | 0 | 0 | 0 | 116.2 | | |
| 317 | H | 32.6 | Very low | 36.3 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | | | | 170.5 | 145.3 | 94.3 | -160.5 | -85.2 | 0 | 0 | 0 | 111.8 | E315 | E315-H317 PolarHBondContact OE2-N 3.04Š|
| 318 | A | 36.1 | Very low | 36.7 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | | | trans | -93.4 | -173.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 319 | L | 35.2 | Very low | 37.4 | Very low | 141 Ų | 141 | 138 Ų | 138 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | 85.9 | 100.5 | 164.7 | -53.1 | 166.1 | 0 | 0 | 0 | 117.5 | | |
| 320 | F | 35.7 | Very low | 37.9 | Very low | 207 Ų | 207 | 137.2 Ų | 137.2 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | | | | -145.9 | 116.9 | 127 | -119.5 | -78.2 | 0 | 0 | 0 | 112.9 | | |
| 321 | N | 33.4 | Very low | 38.9 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -14.8 | 118.8 | 179.2 | -62.2 | -34.4 | 0 | 0 | 0 | 122.4 | | |
| 322 | K | 34.7 | Very low | 39.9 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | | -19.4 | 125.4 | 128.4 | 169.2 | -167.3 | 176.2 | -177 | 0 | 115.6 | | |
| 323 | Q | 33.3 | Very low | 41.2 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | | | trans | -171.4 | 161.1 | 138.3 | -106.1 | 168.5 | 25 | 0 | 0 | 110.3 | | |
| 324 | G | 32.7 | Very low | 42.3 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | | | trans | 101.7 | 74.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 325 | A | 43.5 | Very low | 43.8 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | | | trans | -113.7 | 99.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 326 | A | 38.8 | Very low | 45.5 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | | | trans | -156.2 | 135 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E328 | A326-E328 PolarHBondContact O-N 3.41Š|
| 327 | D | 44.8 | Very low | 47 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | 43.3 | 66.2 | 155.3 | -52 | -25.1 | 0 | 0 | 0 | 119.3 | S329 | D327-S329 PolarHBondContact O-N 2.81Š|
| 328 | E | 46.9 | Very low | 48.8 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | | | trans | -79.3 | 12.5 | 151.2 | -77.8 | -160.5 | 139.7 | 0 | 0 | 113.3 | A326 S330 | A326-E328 PolarHBondContact O-N 3.41Å; E328-S330 PolarHBondContact O-N 2.77Å |
| 329 | S | 50.3 | Low | 50.8 | Low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -72.3 | 54.8 | 148.7 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | D327 D331 | D327-S329 PolarHBondContact O-N 2.81Å; S329-D331 PolarHBondContact O-N 2.78Å |
| 330 | S | 47.5 | Very low | 53 | Low | 81 Ų | 81 | 135.5 Ų | 135.5 | 57% | 0.566 | 73% | 0.731 | S | S | * | * | | | trans | -74.6 | 75.3 | -168 | -172.1 | 0 | 0 | 0 | 0 | 111 | E328 H332 | E328-S330 PolarHBondContact O-N 2.77Å; S330-H332 VanDerWaalsContact C-N 3.3Å; S330-H332 PolarHBondContact O-N 2.61Å; S330-H332 PolarHBondContact O-ND1 3.28Å |
| 331 | D | 52.8 | Low | 55.1 | Low | 122 Ų | 122 | 130.2 Ų | 130.2 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | | | trans | 23 | 62.3 | 167 | -140.1 | -13.2 | 0 | 0 | 0 | 114.6 | S329 H333 | S329-D331 PolarHBondContact O-N 2.78Å; D331-H333 PolarHBondContact O-N 3.07Å; D331-H333 PolarHBondContact O-ND1 3.47Å; D331-H333 IonicContact OD1-CE1 3.9Å; D331-H333 PolarHBondContact OD1-CE1 2.8Å; D331-H333 IonicContact OD1-ND1 2.78Å; D331-H333 PolarHBondContact OD1-ND1 3.18Å; D331-H333 IonicContact OD2-CE1 2.74Å; D331-H333 PolarHBondContact OD2-CE1 2.99Å; D331-H333 VanDerWaalsContact OD2-CE1 3.23Å; D331-H333 IonicContact OD2-ND1 3.35Å |
| 332 | H | 54.8 | Low | 57.2 | Low | 145 Ų | 145 | 128.7 Ų | 128.7 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | | | trans | -67.7 | 84.8 | 175.6 | -78.8 | 20.1 | 0 | 0 | 0 | 108.7 | S330 F334 | S330-H332 VanDerWaalsContact C-N 3.3Å; S330-H332 PolarHBondContact O-N 2.61Å; S330-H332 PolarHBondContact O-ND1 3.28Å; H332-F334 HydrophobicContact CB-CD2 3.83Å; H332-F334 HydrophobicContact CB-CE2 3.89Å; H332-F334 AromaticContact CD2-CE2 3.75Å; H332-F334 PolarHBondContact O-N 3.34Å |
| 333 | H | 59.1 | Low | 58.9 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 70% | 0.704 | 70% | 0.695 | S | S | * | * | | | trans | -65.6 | 45.2 | 172.6 | -77.7 | 74.5 | 0 | 0 | 0 | 111.9 | D331 R335 | D331-H333 PolarHBondContact O-N 3.07Å; D331-H333 PolarHBondContact O-ND1 3.47Å; D331-H333 IonicContact OD1-CE1 3.9Å; D331-H333 PolarHBondContact OD1-CE1 2.8Å; D331-H333 IonicContact OD1-ND1 2.78Å; D331-H333 PolarHBondContact OD1-ND1 3.18Å; D331-H333 IonicContact OD2-CE1 2.74Å; D331-H333 PolarHBondContact OD2-CE1 2.99Å; D331-H333 VanDerWaalsContact OD2-CE1 3.23Å; D331-H333 IonicContact OD2-ND1 3.35Å; H333-R335 PolarHBondContact O-N 2.81Å |
| 334 | F | 58.2 | Low | 60.9 | Low | 167 Ų | 167 | 121.9 Ų | 121.9 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | | | trans | -53.5 | 109.7 | 155.5 | -68.9 | -59.6 | 0 | 0 | 0 | 106.9 | H332 K336 | H332-F334 HydrophobicContact CB-CD2 3.83Å; H332-F334 HydrophobicContact CB-CE2 3.89Å; H332-F334 AromaticContact CD2-CE2 3.75Å; H332-F334 PolarHBondContact O-N 3.34Å; F334-K336 PolarHBondContact O-N 3.3Å |
| 335 | R | 68.5 | Low | 63.1 | Low | 243 Ų | 243 | 122.5 Ų | 122.5 | 92% | 0.917 | 67% | 0.672 | S | S | * | * | | | trans | -61.6 | 90.1 | 162.8 | -68.3 | 175.6 | 178 | -96.1 | -1.1 | 106.3 | H333 | H333-R335 PolarHBondContact O-N 2.81Š|
| 336 | K | 71.7 | Confident | 64.9 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 54% | 0.543 | 66% | 0.664 | S | S | . | * | | | trans | -47.1 | 128 | 170.7 | -74.6 | 179.7 | 163.8 | -109.1 | 0 | 106.8 | F334 A338 D340 S343 | F334-K336 PolarHBondContact O-N 3.3Å; K336-A338 PolarHBondContact O-N 3.1Å; K336-D340 HydrophobicContact CB-CB 4.15Å; K336-D340 WeakPolarHBondContact CD-OD2 3.48Å; K336-D340 WeakPolarHBondContact CE-OD2 3.46Å; K336-D340 WeakPolarHBondContact CG-OD2 3.13Å; K336-D340 IonicContact NZ-OD2 3.24Å; K336-D340 PolarHBondContact NZ-OD2 3.17Å; K336-S343 PolarHBondContact NZ-OG 3.25Å; K336-S343 VanDerWaalsContact NZ-OG 3.12Å |
| 337 | P | 76.4 | Confident | 66.7 | Low | 92 Ų | 92 | 125.9 Ų | 125.9 | 60% | 0.597 | 66% | 0.657 | S | S | * | * | | | trans | -56.3 | 145.5 | 171.8 | 25.6 | -32.8 | 0 | 0 | 0 | 107.9 | N339 D340 | P337-N339 PolarHBondContact O-N 3.2Å; P337-D340 HydrophobicContact CG-CB 4.11Å; P337-D340 WeakPolarHBondContact O-CB 3.49Å; P337-D340 PolarHBondContact O-N 3.12Å |
| 338 | A | 69.9 | Low | 68.3 | Low | 108 Ų | 108 | 124.3 Ų | 124.3 | 89% | 0.893 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -13.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K336 | K336-A338 PolarHBondContact O-N 3.1Š|
| 339 | N | 77.7 | Confident | 69.3 | Low | 142 Ų | 142 | 123.3 Ų | 123.3 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 24.5 | 179.4 | -52.5 | -9.6 | 0 | 0 | 0 | 112.4 | P337 I341 | P337-N339 PolarHBondContact O-N 3.2Å; N339-I341 VanDerWaalsContact C-N 3.28Å; N339-I341 PolarHBondContact O-N 2.83Å |
| 340 | D | 81.9 | Confident | 70 | Confident | 37 Ų | 37 | 122.1 Ų | 122.1 | 20% | 0.198 | 65% | 0.645 | C | S | . | * | | | trans | -72.1 | 77.7 | 177.5 | -177.7 | 20.1 | 0 | 0 | 0 | 112.4 | K336 P337 T342 | K336-D340 HydrophobicContact CB-CB 4.15Å; K336-D340 WeakPolarHBondContact CD-OD2 3.48Å; K336-D340 WeakPolarHBondContact CE-OD2 3.46Å; K336-D340 WeakPolarHBondContact CG-OD2 3.13Å; K336-D340 IonicContact NZ-OD2 3.24Å; K336-D340 PolarHBondContact NZ-OD2 3.17Å; P337-D340 HydrophobicContact CG-CB 4.11Å; P337-D340 WeakPolarHBondContact O-CB 3.49Å; P337-D340 PolarHBondContact O-N 3.12Å; D340-T342 PolarHBondContact O-N 3.26Å; D340-T342 WeakPolarHBondContact OD1-CB 3.37Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.28Å; D340-T342 PolarHBondContact OD1-N 3.47Å; D340-T342 PolarHBondContact OD1-OG1 2.93Å |
| 341 | I | 79.9 | Confident | 70.5 | Confident | 96 Ų | 96 | 125.4 Ų | 125.4 | 49% | 0.492 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -69.4 | -6.2 | 175.1 | 63.6 | 171.4 | 0 | 0 | 0 | 113.3 | N339 S343 Q344 L345 | N339-I341 VanDerWaalsContact C-N 3.28Å; N339-I341 PolarHBondContact O-N 2.83Å; I341-S343 PolarHBondContact O-N 3.32Å; I341-Q344 WeakPolarHBondContact O-CA 3.48Å; I341-Q344 WeakPolarHBondContact O-CB 3.27Å; I341-Q344 PolarHBondContact O-N 2.66Å; I341-L345 HydrophobicContact CD1-CD1 4.2Å; I341-L345 HydrophobicContact CG1-CD1 4.18Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.12Å |
| 342 | T | 76.7 | Confident | 70.8 | Confident | 101 Ų | 101 | 126.6 Ų | 126.6 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -64.1 | -30.7 | -175.7 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | D340 Q344 | D340-T342 PolarHBondContact O-N 3.26Å; D340-T342 WeakPolarHBondContact OD1-CB 3.37Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.28Å; D340-T342 PolarHBondContact OD1-N 3.47Å; D340-T342 PolarHBondContact OD1-OG1 2.93Å; T342-Q344 VanDerWaalsContact C-N 3.32Å |
| 343 | S | 72.1 | Confident | 70.9 | Confident | 87 Ų | 87 | 122.8 Ų | 122.8 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -81.5 | -1.1 | 171.6 | 39.6 | 0 | 0 | 0 | 0 | 115.1 | K336 I341 | K336-S343 PolarHBondContact NZ-OG 3.25Å; K336-S343 VanDerWaalsContact NZ-OG 3.12Å; I341-S343 PolarHBondContact O-N 3.32Å |
| 344 | Q | 74.9 | Confident | 70.9 | Confident | 161 Ų | 161 | 126.3 Ų | 126.3 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -10.8 | 172.5 | -63.1 | 178.2 | -9.6 | 0 | 0 | 112.4 | I341 T342 | I341-Q344 WeakPolarHBondContact O-CA 3.48Å; I341-Q344 WeakPolarHBondContact O-CB 3.27Å; I341-Q344 PolarHBondContact O-N 2.66Å; T342-Q344 VanDerWaalsContact C-N 3.32Å |
| 345 | L | 79 | Confident | 70.6 | Confident | 95 Ų | 95 | 124.4 Ų | 124.4 | 50% | 0.497 | 67% | 0.673 | S | S | . | * | | | trans | -93.4 | 97.6 | -179.5 | -69.6 | 168.3 | 0 | 0 | 0 | 110.7 | I341 I347 | I341-L345 HydrophobicContact CD1-CD1 4.2Å; I341-L345 HydrophobicContact CG1-CD1 4.18Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.12Å; L345-I347 VanDerWaalsContact C-N 3.28Å; L345-I347 HydrophobicContact CB-CD1 4.38Å; L345-I347 HydrophobicContact CB-CG1 3.97Å; L345-I347 PolarHBondContact O-N 2.97Å |
| 346 | E | 80.2 | Confident | 69.8 | Low | 159 Ų | 159 | 116.2 Ų | 116.2 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | | | trans | -75.3 | 79.4 | 169.7 | -164.2 | -170.3 | 139.4 | 0 | 0 | 110.4 | N348 | E346-N348 PolarHBondContact O-N 3.45Å; E346-N348 PolarHBondContact OE1-ND2 3.47Å |
| 347 | I | 77.3 | Confident | 68.9 | Low | 104 Ų | 104 | 121.8 Ų | 121.8 | 53% | 0.533 | 68% | 0.682 | S | S | . | * | | | trans | -75.9 | 90.2 | -176.9 | -49.3 | -179.7 | 0 | 0 | 0 | 110.2 | L345 F349 | L345-I347 VanDerWaalsContact C-N 3.28Å; L345-I347 HydrophobicContact CB-CD1 4.38Å; L345-I347 HydrophobicContact CB-CG1 3.97Å; L345-I347 PolarHBondContact O-N 2.97Å; I347-F349 VanDerWaalsContact C-N 3.3Å; I347-F349 HydrophobicContact CB-CD2 4.3Å; I347-F349 HydrophobicContact CB-CE2 3.81Å; I347-F349 HydrophobicContact CB-CZ 4.14Å; I347-F349 HydrophobicContact CG2-CD1 4.19Å; I347-F349 HydrophobicContact CG2-CD2 3.95Å; I347-F349 HydrophobicContact CG2-CE1 3.79Å; I347-F349 HydrophobicContact CG2-CE2 3.52Å; I347-F349 HydrophobicContact CG2-CG 4.27Å; I347-F349 HydrophobicContact CG2-CZ 3.43Å; I347-F349 VanDerWaalsContact CG2-CZ 3.43Å; I347-F349 WeakPolarHBondContact O-CD2 3.29Å; I347-F349 PolarHBondContact O-N 3.33Å |
| 348 | N | 78 | Confident | 67.6 | Low | 99 Ų | 99 | 120.6 Ų | 120.6 | 53% | 0.529 | 69% | 0.686 | S | S | . | * | | | trans | -72.4 | 76.3 | 178.4 | -89.3 | -63.4 | 0 | 0 | 0 | 113 | E346 G350 D351 | E346-N348 PolarHBondContact O-N 3.45Å; E346-N348 PolarHBondContact OE1-ND2 3.47Å; N348-G350 PolarHBondContact O-N 2.73Å; N348-D351 PolarHBondContact O-N 3.4Å |
| 349 | F | 67.8 | Low | 67 | Low | 173 Ų | 173 | 127.8 Ų | 127.8 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -4.3 | 172.1 | -64.6 | -75.3 | 0 | 0 | 0 | 114.6 | I347 | I347-F349 VanDerWaalsContact C-N 3.3Å; I347-F349 HydrophobicContact CB-CD2 4.3Å; I347-F349 HydrophobicContact CB-CE2 3.81Å; I347-F349 HydrophobicContact CB-CZ 4.14Å; I347-F349 HydrophobicContact CG2-CD1 4.19Å; I347-F349 HydrophobicContact CG2-CD2 3.95Å; I347-F349 HydrophobicContact CG2-CE1 3.79Å; I347-F349 HydrophobicContact CG2-CE2 3.52Å; I347-F349 HydrophobicContact CG2-CG 4.27Å; I347-F349 HydrophobicContact CG2-CZ 3.43Å; I347-F349 VanDerWaalsContact CG2-CZ 3.43Å; I347-F349 WeakPolarHBondContact O-CD2 3.29Å; I347-F349 PolarHBondContact O-N 3.33Å |
| 350 | G | 65.4 | Low | 65.5 | Low | 75 Ų | 75 | 124.8 Ų | 124.8 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -31.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N348 | N348-G350 PolarHBondContact O-N 2.73Š|
| 351 | D | 58.2 | Low | 63.8 | Low | 151 Ų | 151 | 126.2 Ų | 126.2 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 1.4 | -164.5 | -137.9 | 16.7 | 0 | 0 | 0 | 114.6 | N348 G353 | N348-D351 PolarHBondContact O-N 3.4Å; D351-G353 PolarHBondContact O-N 3.05Å |
| 352 | L | 59.9 | Low | 62.5 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -70.3 | 79 | 156.5 | -69.8 | -179.1 | 0 | 0 | 0 | 108.8 | R354 | L352-R354 PolarHBondContact O-N 3.48Š|
| 353 | G | 56.7 | Low | 61.4 | Low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | | | trans | -46.5 | 110.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D351 P355 | D351-G353 PolarHBondContact O-N 3.05Å; G353-P355 WeakPolarHBondContact O-CD 3.38Å |
| 354 | R | 58.2 | Low | 60.5 | Low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -42.9 | 112.4 | -171.9 | -87 | 176.2 | 158.9 | -108.9 | 0.1 | 111.3 | L352 G356 | L352-R354 PolarHBondContact O-N 3.48Å; R354-G356 PolarHBondContact O-N 3.19Å |
| 355 | P | 52.6 | Low | 59.1 | Low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -58.5 | 120.4 | 170.7 | 24 | -32.4 | 0 | 0 | 0 | 107.3 | G353 R357 | G353-P355 WeakPolarHBondContact O-CD 3.38Å; P355-R357 PolarHBondContact O-N 3.09Å |
| 356 | G | 50.7 | Low | 57.8 | Low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | -62.2 | 112.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R354 G358 | R354-G356 PolarHBondContact O-N 3.19Å; G356-G358 VanDerWaalsContact C-N 3.31Å; G356-G358 PolarHBondContact O-N 2.86Å |
| 357 | R | 52.5 | Low | 56.1 | Low | 242 Ų | 242 | 134 Ų | 134 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | | | trans | -57.5 | 103.9 | 155.7 | -98.7 | -161.7 | 178.8 | -136.4 | 2.5 | 106.4 | P355 | P355-R357 PolarHBondContact O-N 3.09Š|
| 358 | G | 50.7 | Low | 54.6 | Low | 67 Ų | 67 | 133 Ų | 133 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -60.9 | 162.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G356 | G356-G358 VanDerWaalsContact C-N 3.31Å; G356-G358 PolarHBondContact O-N 2.86Å |
| 359 | R | 56 | Low | 53.1 | Low | 260 Ų | 260 | 140.7 Ų | 140.7 | 98% | 0.981 | 83% | 0.827 | S | S | * | * | | | trans | 77.4 | 24 | 165.3 | -136.3 | 177.9 | -163.8 | -165.2 | 4.8 | 117.7 | | |
| 360 | G | 47.3 | Very low | 51.7 | Low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | | | trans | -96.9 | 68.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 361 | G | 44.9 | Very low | 50.5 | Low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | | | trans | -69.8 | 147.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R363 | G361-R363 PolarHBondContact O-N 3.21Š|
| 362 | A | 53.3 | Low | 49.7 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | | | trans | -64.2 | 98.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 363 | R | 53.1 | Low | 48.6 | Very low | 254 Ų | 254 | 130.6 Ų | 130.6 | 96% | 0.958 | 84% | 0.844 | S | S | * | * | | | trans | -127 | 63 | 166.6 | -73.4 | -167.5 | 172.5 | 117.4 | -0.9 | 110.5 | G361 | G361-R363 PolarHBondContact O-N 3.21Š|
| 364 | G | 53.1 | Low | 48 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | | | trans | -147.2 | 30.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 365 | G | 47 | Very low | 47.4 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | | | trans | -139.4 | 85.1 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 366 | R | 50.2 | Low | 46.6 | Very low | 264 Ų | 264 | 133.3 Ų | 133.3 | 100% | 0.996 | 85% | 0.849 | S | S | * | * | | | trans | -100.8 | 72.1 | -178.2 | -165.1 | -172.4 | -164.4 | -172.7 | 5.8 | 110.8 | | |
| 367 | G | 45 | Very low | 46.3 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | | | trans | -175.8 | 125.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 368 | G | 47.1 | Very low | 45.7 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | | | trans | 147.6 | 76.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 369 | R | 45.8 | Very low | 45.2 | Very low | 261 Ų | 261 | 135.9 Ų | 135.9 | 99% | 0.985 | 86% | 0.864 | S | S | * | * | | | trans | -98 | 144 | 164.5 | -78.2 | -179.1 | 173 | 169.4 | -3.6 | 108.6 | | |
| 370 | G | 38.9 | Very low | 44.2 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 87% | 0.866 | 85% | 0.852 | S | S | * | * | | | trans | 103.7 | 133 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 371 | G | 40.1 | Very low | 44.2 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | | | cis | -156.8 | 164.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 372 | G | 40.2 | Very low | 43.9 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 94% | 0.938 | 87% | 0.867 | S | S | * | * | | | trans | -73.6 | 142.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 373 | G | 36.8 | Very low | 43.3 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 86% | 0.857 | S | S | * | * | | | trans | -149.9 | 111.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 374 | S | 43.8 | Very low | 42.8 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 86% | 0.855 | S | S | * | * | | | trans | -92.8 | 133.8 | -176.7 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 375 | R | 45.6 | Very low | 42.3 | Very low | 232 Ų | 232 | 137.1 Ų | 137.1 | 88% | 0.875 | 85% | 0.853 | S | S | * | * | | | trans | 32 | 111.2 | 151.1 | -56.7 | 172.4 | -171.7 | 164.1 | 1.4 | 118.1 | | |
| 376 | T | 36.1 | Very low | 42.3 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 86% | 0.855 | S | S | * | * | | | trans | -137.6 | 120.8 | 135.1 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 377 | A | 45.7 | Very low | 42.4 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | | | trans | -83.9 | 132.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 378 | R | 38.3 | Very low | 42.4 | Very low | 246 Ų | 246 | 130.3 Ų | 130.3 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | | | trans | -151.1 | 136.2 | 159.5 | -111.9 | 176.4 | 179.1 | 126.5 | 1.8 | 108.4 | | |
| 379 | G | 40.2 | Very low | 43 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | | | trans | -69.6 | 153.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 380 | G | 35.2 | Very low | 43.9 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | | | trans | -172.5 | 75.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R382 | G380-R382 PolarHBondContact O-N 3.4Š|
| 381 | G | 48 | Very low | 45.7 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | | | trans | -57.7 | 125.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 382 | R | 39.1 | Very low | 47.6 | Very low | 240 Ų | 240 | 126.3 Ų | 126.3 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | | | trans | -125 | 129.4 | 167.8 | -81.6 | -174.6 | 165.6 | 179.1 | -4.4 | 108 | G380 | G380-R382 PolarHBondContact O-N 3.4Š|
| 383 | S | 41 | Very low | 49.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -46.4 | 134.8 | -175 | 51.4 | 0 | 0 | 0 | 0 | 113 | K385 | S383-K385 VanDerWaalsContact C-N 3.26Å; S383-K385 PolarHBondContact O-N 3.18Å |
| 384 | E | 41.2 | Very low | 51.7 | Low | 197 Ų | 197 | 127.7 Ų | 127.7 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | | | trans | -61.6 | 92.8 | 156.3 | -64.9 | -177.4 | 145.8 | 0 | 0 | 108.1 | A386 | E384-A386 PolarHBondContact O-N 2.71Š|
| 385 | K | 42.4 | Very low | 53.7 | Low | 181 Ų | 181 | 130 Ų | 130 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | trans | -65.9 | 117.5 | 156.1 | -81.7 | -164 | 170.6 | -166.8 | 0 | 105.8 | S383 S387 | S383-K385 VanDerWaalsContact C-N 3.26Å; S383-K385 PolarHBondContact O-N 3.18Å; K385-S387 PolarHBondContact O-N 3.02Å |
| 386 | A | 47.7 | Very low | 55.6 | Low | 100 Ų | 100 | 122 Ų | 122 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | | | trans | -66.8 | 72.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E384 G388 | E384-A386 PolarHBondContact O-N 2.71Å; A386-G388 PolarHBondContact O-N 2.87Å |
| 387 | S | 51.5 | Low | 57.6 | Low | 122 Ų | 122 | 120.8 Ų | 120.8 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | | | trans | -84.1 | 55.6 | 179.6 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | K385 | K385-S387 PolarHBondContact O-N 3.02Š|
| 388 | G | 46.9 | Very low | 59.3 | Low | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -166.2 | 120.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | A386 S390 | A386-G388 PolarHBondContact O-N 2.87Å; G388-S390 PolarHBondContact O-N 3.01Å |
| 389 | V | 59.5 | Low | 61.5 | Low | 148 Ų | 148 | 114.6 Ų | 114.6 | 90% | 0.897 | 71% | 0.71 | S | S | * | * | | | trans | -65.3 | 107.1 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 106.7 | V391 | V389-V391 PolarHBondContact O-N 3.24Š|
| 390 | S | 63.8 | Low | 63.5 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 128 | 169.3 | 45.9 | 0 | 0 | 0 | 0 | 108.1 | G388 | G388-S390 PolarHBondContact O-N 3.01Š|
| 391 | V | 77.4 | Confident | 65.8 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 130.8 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | V389 N393 | V389-V391 PolarHBondContact O-N 3.24Å; V391-N393 PolarHBondContact O-N 3.01Å |
| 392 | P | 80 | Confident | 67.3 | Low | 45 Ų | 45 | 118 Ų | 118 | 29% | 0.292 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -46.5 | 134.6 | 172.4 | -33 | 38.5 | 0 | 0 | 0 | 111.4 | V394 A399 F400 | P392-V394 PolarHBondContact O-N 3.25Å; P392-A399 HydrophobicContact CB-CB 4.31Å; P392-A399 WeakPolarHBondContact CB-O 3.13Å; P392-F400 HydrophobicContact CB-CD1 3.99Å; P392-F400 HydrophobicContact CB-CD2 4.38Å; P392-F400 HydrophobicContact CB-CE1 3.86Å; P392-F400 HydrophobicContact CB-CE2 4.26Å; P392-F400 HydrophobicContact CB-CG 4.25Å; P392-F400 HydrophobicContact CB-CZ 4Å; P392-F400 HydrophobicContact CG-CD1 4.46Å |
| 393 | N | 81.4 | Confident | 68.8 | Low | 85 Ų | 85 | 115.2 Ų | 115.2 | 46% | 0.455 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 123.4 | 178.7 | -178.8 | 32.5 | 0 | 0 | 0 | 109 | V391 D395 D396 A399 F400 | V391-N393 PolarHBondContact O-N 3.01Å; N393-D395 PolarHBondContact O-N 2.86Å; N393-D396 HydrophobicContact CB-CB 3.99Å; N393-D396 PolarHBondContact O-N 3.15Å; N393-D396 VanDerWaalsContact O-N 3.15Å; N393-A399 HydrophobicContact CB-CB 4.23Å; N393-F400 WeakPolarHBondContact O-CE2 3.39Å |
| 394 | V | 81.4 | Confident | 69.6 | Low | 117 Ų | 117 | 118.7 Ų | 118.7 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -28.5 | -173.9 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | P392 D396 | P392-V394 PolarHBondContact O-N 3.25Å; V394-D396 VanDerWaalsContact C-N 3.32Å |
| 395 | D | 85.6 | Confident | 71 | Confident | 148 Ų | 148 | 114.8 Ų | 114.8 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 3.5 | 179.4 | -55.1 | -48.5 | 0 | 0 | 0 | 113.6 | N393 | N393-D395 PolarHBondContact O-N 2.86Š|
| 396 | D | 85.3 | Confident | 72.5 | Confident | 66 Ų | 66 | 111.3 Ų | 111.3 | 35% | 0.353 | 71% | 0.709 | S | S | . | * | | | trans | -126.6 | 107.8 | -177.5 | -174.4 | -13.2 | 0 | 0 | 0 | 111 | N393 V394 E398 A399 | N393-D396 HydrophobicContact CB-CB 3.99Å; N393-D396 PolarHBondContact O-N 3.15Å; N393-D396 VanDerWaalsContact O-N 3.15Å; V394-D396 VanDerWaalsContact C-N 3.32Å; D396-E398 PolarHBondContact O-N 3.33Å; D396-E398 PolarHBondContact OD1-N 2.89Å; D396-A399 HydrophobicContact CB-CB 4.02Å; D396-A399 WeakPolarHBondContact O-CB 3.2Å; D396-A399 PolarHBondContact O-N 2.98Å |
| 397 | P | 77.6 | Confident | 73.9 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -68.5 | -21.1 | -177.4 | 29.3 | -34.9 | 0 | 0 | 0 | 113.4 | A399 | P397-A399 VanDerWaalsContact C-N 3.34Š|
| 398 | E | 81.4 | Confident | 75.2 | Confident | 183 Ų | 183 | 111.4 Ų | 111.4 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -82.3 | -13.9 | 177 | -62.4 | -170.2 | 177.7 | 0 | 0 | 112.4 | D396 F400 | D396-E398 PolarHBondContact O-N 3.33Å; D396-E398 PolarHBondContact OD1-N 2.89Å; E398-F400 PolarHBondContact O-N 3.13Å |
| 399 | A | 84 | Confident | 77 | Confident | 37 Ų | 37 | 115 Ų | 115 | 31% | 0.306 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -72.7 | -15.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P392 N393 D396 P397 | P392-A399 HydrophobicContact CB-CB 4.31Å; P392-A399 WeakPolarHBondContact CB-O 3.13Å; N393-A399 HydrophobicContact CB-CB 4.23Å; D396-A399 HydrophobicContact CB-CB 4.02Å; D396-A399 WeakPolarHBondContact O-CB 3.2Å; D396-A399 PolarHBondContact O-N 2.98Å; P397-A399 VanDerWaalsContact C-N 3.34Å |
| 400 | F | 84 | Confident | 78.2 | Confident | 103 Ų | 103 | 112.8 Ų | 112.8 | 45% | 0.452 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -90.2 | 136.1 | 174.7 | -68.5 | -90.7 | 0 | 0 | 0 | 110.7 | P392 N393 E398 A402 | P392-F400 HydrophobicContact CB-CD1 3.99Å; P392-F400 HydrophobicContact CB-CD2 4.38Å; P392-F400 HydrophobicContact CB-CE1 3.86Å; P392-F400 HydrophobicContact CB-CE2 4.26Å; P392-F400 HydrophobicContact CB-CG 4.25Å; P392-F400 HydrophobicContact CB-CZ 4Å; P392-F400 HydrophobicContact CG-CD1 4.46Å; N393-F400 WeakPolarHBondContact O-CE2 3.39Å; E398-F400 PolarHBondContact O-N 3.13Å; F400-A402 PolarHBondContact O-N 3.34Å |
| 401 | P | 82.1 | Confident | 79.2 | Confident | 118 Ų | 118 | 113.6 Ų | 113.6 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | | | trans | -69.2 | 103.2 | 178.5 | 28.4 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 402 | A | 80.9 | Confident | 79.3 | Confident | 92 Ų | 92 | 112.7 Ų | 112.7 | 76% | 0.76 | 68% | 0.683 | S | S | * | * | | | trans | -63.6 | 145.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F400 | F400-A402 PolarHBondContact O-N 3.34Š|
| 403 | L | 69.2 | Low | 79.3 | Confident | 182 Ų | 182 | 118.3 Ų | 118.3 | 95% | 0.953 | 72% | 0.716 | S | S | * | * | | | trans | -81.2 | 138 | 169.1 | -63.3 | 174 | 0 | 0 | 0 | 109.1 | | |
| 404 | A | 58.1 | Low | 79.1 | Confident | 175 Ų | 175 | 121.4 Ų | 121.4 | 100% | 1.446 | 74% | 0.739 | S | S | * | * | | | trans | -136.4 | 0 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |