| 1 | M | 45.5 | Very low | 56.3 | Low | 248 Ų | 248 | 157.7 Ų | 157.7 | 100% | 1.222 | 85% | 0.846 | S | S | * | * | | | | 0 | 128.2 | 0 | -59.8 | -165.2 | -65.2 | 0 | 0 | 107.7 | | |
| 2 | G | 52.9 | Low | 56.7 | Low | 68 Ų | 68 | 154.3 Ų | 154.3 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | | | cis | -165.4 | 131.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 108 | R4 | G2-R4 PolarHBondContact O-N 3.41Š|
| 3 | E | 52.9 | Low | 57.5 | Low | 186 Ų | 186 | 154.8 Ų | 154.8 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | | | trans | -66.4 | 133.4 | -171.6 | -61.3 | -179.8 | 162.3 | 0 | 0 | 111.5 | | |
| 4 | R | 61.6 | Low | 58.1 | Low | 242 Ų | 242 | 161.1 Ų | 161.1 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | | | trans | -113.9 | 114.1 | 164.5 | -65.2 | -169.5 | -173.8 | -171.9 | 3.1 | 108 | G2 | G2-R4 PolarHBondContact O-N 3.41Š|
| 5 | K | 62.9 | Low | 58.7 | Low | 181 Ų | 181 | 157.5 Ų | 157.5 | 79% | 0.787 | 83% | 0.832 | S | S | * | * | | | trans | -70.6 | 139.8 | 173.9 | -64.7 | 179.1 | 179.3 | 179.9 | 0 | 108.9 | | |
| 6 | S | 65.9 | Low | 59.8 | Low | 119 Ų | 119 | 160.8 Ų | 160.8 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | | | trans | -86.4 | 106.1 | 170.3 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | G8 | S6-G8 PolarHBondContact O-N 3.19Š|
| 7 | D | 60.8 | Low | 61.2 | Low | 158 Ų | 158 | 157.1 Ų | 157.1 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -69.2 | 117.2 | 173.9 | -66.5 | -45.4 | 0 | 0 | 0 | 109.9 | | |
| 8 | G | 58 | Low | 62.4 | Low | 68 Ų | 68 | 157.1 Ų | 157.1 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -75.4 | 131.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S6 C10 | S6-G8 PolarHBondContact O-N 3.19Å; G8-C10 PolarHBondContact O-N 3.1Å; G8-C10 VanDerWaalsContact O-N 3.12Å |
| 9 | Q | 51.8 | Low | 63.9 | Low | 196 Ų | 196 | 156.2 Ų | 156.2 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -68.5 | 106.7 | 169 | -76.9 | -174.9 | -56.4 | 0 | 0 | 110.5 | E11 | Q9-E11 PolarHBondContact O-N 3.47Å; Q9-E11 VanDerWaalsContact O-N 3.16Å |
| 10 | C | 52.4 | Low | 65.2 | Low | 125 Ų | 125 | 152 Ų | 152 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -73 | 100.8 | 166 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | G8 S12 | G8-C10 PolarHBondContact O-N 3.1Å; G8-C10 VanDerWaalsContact O-N 3.12Å; C10-S12 PolarHBondContact O-N 3Å |
| 11 | E | 54.9 | Low | 66.3 | Low | 144 Ų | 144 | 153.1 Ų | 153.1 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | | | trans | -60.2 | 102.3 | 167.7 | -72.5 | -166 | 136.4 | 0 | 0 | 110 | Q9 K13 | Q9-E11 PolarHBondContact O-N 3.47Å; Q9-E11 VanDerWaalsContact O-N 3.16Å; E11-K13 HydrophobicContact CB-CG 4.48Å; E11-K13 PolarHBondContact O-N 3.2Å; E11-K13 WeakPolarHBondContact OE2-CE 3.44Å; E11-K13 IonicContact OE2-NZ 2.67Å; E11-K13 PolarHBondContact OE2-NZ 3.14Å |
| 12 | S | 61.1 | Low | 68.5 | Low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | | | trans | -75.6 | 73.1 | 178.7 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | C10 R14 | C10-S12 PolarHBondContact O-N 3Å; S12-R14 PolarHBondContact O-N 3.02Å |
| 13 | K | 66.6 | Low | 70.3 | Confident | 162 Ų | 162 | 147.6 Ų | 147.6 | 70% | 0.704 | 73% | 0.727 | S | S | * | * | | | trans | -65.3 | 100.2 | 174.7 | -73.4 | 173.2 | -179.8 | 155.8 | 0 | 108.8 | E11 S15 | E11-K13 HydrophobicContact CB-CG 4.48Å; E11-K13 PolarHBondContact O-N 3.2Å; E11-K13 WeakPolarHBondContact OE2-CE 3.44Å; E11-K13 IonicContact OE2-NZ 2.67Å; E11-K13 PolarHBondContact OE2-NZ 3.14Å; K13-S15 PolarHBondContact O-N 3.01Å |
| 14 | R | 65.7 | Low | 72.1 | Confident | 243 Ų | 243 | 143.4 Ų | 143.4 | 92% | 0.917 | 71% | 0.709 | S | S | * | * | | | trans | -56.3 | 108.6 | 175.6 | -67.4 | -177.2 | 178.3 | -174.6 | -0.1 | 109.2 | S12 R16 | S12-R14 PolarHBondContact O-N 3.02Å; R14-R16 PolarHBondContact O-N 3.18Å |
| 15 | S | 67.6 | Low | 73.3 | Confident | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -62 | 122.1 | 171.5 | 46.3 | 0 | 0 | 0 | 0 | 109 | K13 V17 | K13-S15 PolarHBondContact O-N 3.01Å; S15-V17 PolarHBondContact O-N 2.96Å |
| 16 | R | 77.1 | Confident | 74.5 | Confident | 209 Ų | 209 | 129.3 Ų | 129.3 | 79% | 0.789 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 122.5 | 170 | -175.8 | 172.6 | -178.4 | 158.9 | -2.6 | 107 | R14 H18 | R14-R16 PolarHBondContact O-N 3.18Å; R16-H18 PolarHBondContact O-CD2 3.49Å; R16-H18 PolarHBondContact O-N 2.75Å |
| 17 | V | 82 | Confident | 75.4 | Confident | 98 Ų | 98 | 128.8 Ų | 128.8 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | S15 Y19 | S15-V17 PolarHBondContact O-N 2.96Å; V17-Y19 HydrophobicContact CG1-CD1 4.4Å; V17-Y19 HydrophobicContact CG1-CD2 4.48Å; V17-Y19 HydrophobicContact CG1-CE1 4Å; V17-Y19 HydrophobicContact CG1-CE2 4.08Å |
| 18 | H | 84.5 | Confident | 76.5 | Confident | 157 Ų | 157 | 128.1 Ų | 128.1 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 117.6 | 170.8 | -72.1 | -98.3 | 0 | 0 | 0 | 107.8 | R16 | R16-H18 PolarHBondContact O-CD2 3.49Å; R16-H18 PolarHBondContact O-N 2.75Å |
| 19 | Y | 89.6 | Confident | 77.4 | Confident | 141 Ų | 141 | 131.6 Ų | 131.6 | 55% | 0.553 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 142.1 | 170.7 | -62.5 | -76.4 | 0 | 0 | 0 | 109.8 | V17 E23 | V17-Y19 HydrophobicContact CG1-CD1 4.4Å; V17-Y19 HydrophobicContact CG1-CD2 4.48Å; V17-Y19 HydrophobicContact CG1-CE1 4Å; V17-Y19 HydrophobicContact CG1-CE2 4.08Å; Y19-E23 HydrophobicContact CD1-CB 4.48Å |
| 20 | T | 90.8 | Very high | 78.3 | Confident | 72 Ų | 72 | 127.7 Ų | 127.7 | 44% | 0.442 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 161.1 | 167.2 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | E22 E23 I24 | T20-E22 PolarHBondContact O-N 3.34Å; T20-E23 WeakPolarHBondContact CB-OE2 3.48Å; T20-E23 PolarHBondContact N-OE2 3.07Å; T20-E23 PolarHBondContact O-N 3.01Å; T20-E23 VanDerWaalsContact OG1-CG 3.24Å; T20-E23 WeakPolarHBondContact OG1-CG 3.37Å; T20-E23 PolarHBondContact OG1-N 3.33Å; T20-E23 PolarHBondContact OG1-OE2 3.27Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.42Å |
| 21 | R | 88.8 | Confident | 79.1 | Confident | 176 Ų | 176 | 124.6 Ų | 124.6 | 66% | 0.664 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.3 | -32.8 | 177.2 | 173.4 | 177.5 | 174.9 | -82.9 | 2.3 | 110.9 | I24 L25 | R21-I24 PolarHBondContact O-N 3.15Å; R21-L25 HydrophobicContact CG-CD1 4.2Å; R21-L25 VanDerWaalsContact O-CG 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.24Å; R21-L25 PolarHBondContact O-N 3.45Å |
| 22 | E | 91.3 | Very high | 79.5 | Confident | 111 Ų | 111 | 121.6 Ų | 121.6 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.1 | -42.4 | -177.3 | -66.2 | 56.6 | -124.6 | 0 | 0 | 110.8 | T20 L25 A26 | T20-E22 PolarHBondContact O-N 3.34Å; E22-L25 PolarHBondContact O-N 3.24Å; E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 2.82Å |
| 23 | E | 90.7 | Very high | 79.5 | Confident | 89 Ų | 89 | 119.3 Ų | 119.3 | 42% | 0.416 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 171.4 | -73.9 | 165.3 | 117.2 | 0 | 0 | 112.3 | Y19 T20 L25 A26 I27 | Y19-E23 HydrophobicContact CD1-CB 4.48Å; T20-E23 WeakPolarHBondContact CB-OE2 3.48Å; T20-E23 PolarHBondContact N-OE2 3.07Å; T20-E23 PolarHBondContact O-N 3.01Å; T20-E23 VanDerWaalsContact OG1-CG 3.24Å; T20-E23 WeakPolarHBondContact OG1-CG 3.37Å; T20-E23 PolarHBondContact OG1-N 3.33Å; T20-E23 PolarHBondContact OG1-OE2 3.27Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.41Å; E23-A26 PolarHBondContact O-N 3.34Å; E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.39Å; E23-I27 PolarHBondContact O-N 3.39Å |
| 24 | I | 89.5 | Confident | 79.1 | Confident | 97 Ų | 97 | 115.5 Ų | 115.5 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.7 | -39.1 | 178.4 | -65.6 | 166.2 | 0 | 0 | 0 | 110.9 | T20 R21 K28 | T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.42Å; R21-I24 PolarHBondContact O-N 3.15Å; I24-K28 WeakPolarHBondContact O-CB 3.49Å; I24-K28 PolarHBondContact O-N 2.66Å; I24-K28 VanDerWaalsContact O-N 3.1Å |
| 25 | L | 88.4 | Confident | 78.8 | Confident | 83 Ų | 83 | 106.5 Ų | 106.5 | 44% | 0.435 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -45.5 | 175.2 | -72.2 | 168.8 | 0 | 0 | 0 | 111.9 | R21 E22 E23 I27 K28 E29 | R21-L25 HydrophobicContact CG-CD1 4.2Å; R21-L25 VanDerWaalsContact O-CG 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.24Å; R21-L25 PolarHBondContact O-N 3.45Å; E22-L25 PolarHBondContact O-N 3.24Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.41Å; L25-I27 VanDerWaalsContact C-N 3.32Å; L25-I27 PolarHBondContact O-N 3.3Å; L25-K28 WeakPolarHBondContact O-CB 3.29Å; L25-K28 PolarHBondContact O-N 3.46Å; L25-K28 VanDerWaalsContact O-N 3.08Å; L25-E29 PolarHBondContact O-N 3.12Å |
| 26 | A | 87.5 | Confident | 78.2 | Confident | 45 Ų | 45 | 108.1 Ų | 108.1 | 37% | 0.372 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E22 E23 N30 | E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 2.82Å; E23-A26 PolarHBondContact O-N 3.34Å; A26-N30 PolarHBondContact O-N 3.38Å; A26-N30 PolarHBondContact O-ND2 3.45Å |
| 27 | I | 84 | Confident | 77.3 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 55% | 0.549 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 172.8 | -68.8 | 164.2 | 0 | 0 | 0 | 110.7 | E23 L25 A31 | E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.39Å; E23-I27 PolarHBondContact O-N 3.39Å; L25-I27 VanDerWaalsContact C-N 3.32Å; L25-I27 PolarHBondContact O-N 3.3Å; I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 2.93Å; I27-A31 VanDerWaalsContact O-N 3.09Å |
| 28 | K | 83.5 | Confident | 76.2 | Confident | 144 Ų | 144 | 102.4 Ų | 102.4 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 179.4 | -174.7 | -177 | 175.9 | -172.4 | 0 | 112.3 | I24 L25 A31 V32 | I24-K28 WeakPolarHBondContact O-CB 3.49Å; I24-K28 PolarHBondContact O-N 2.66Å; I24-K28 VanDerWaalsContact O-N 3.1Å; L25-K28 WeakPolarHBondContact O-CB 3.29Å; L25-K28 PolarHBondContact O-N 3.46Å; L25-K28 VanDerWaalsContact O-N 3.08Å; K28-A31 PolarHBondContact O-N 3.16Å; K28-V32 PolarHBondContact O-N 2.96Å |
| 29 | E | 78.7 | Confident | 75 | Confident | 142 Ų | 142 | 98.7 Ų | 98.7 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -52.1 | 179.6 | -171.1 | 172.4 | -172.2 | 0 | 0 | 111.5 | L25 A31 V32 S33 | L25-E29 PolarHBondContact O-N 3.12Å; E29-A31 PolarHBondContact O-N 3.31Å; E29-V32 PolarHBondContact O-N 3.05Å; E29-S33 PolarHBondContact O-N 3.45Å |
| 30 | N | 70.3 | Confident | 73.5 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 61% | 0.61 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -30.9 | 176.9 | -76.4 | -78.4 | 0 | 0 | 0 | 113.2 | A26 V32 S34 | A26-N30 PolarHBondContact O-N 3.38Å; A26-N30 PolarHBondContact O-ND2 3.45Å; N30-V32 VanDerWaalsContact C-N 3.33Å; N30-S34 PolarHBondContact O-N 3.22Å; N30-S34 VanDerWaalsContact O-N 3.16Å |
| 31 | A | 69.2 | Low | 71.8 | Confident | 60 Ų | 60 | 100.9 Ų | 100.9 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.4 | -30.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I27 K28 E29 A35 | I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 2.93Å; I27-A31 VanDerWaalsContact O-N 3.09Å; K28-A31 PolarHBondContact O-N 3.16Å; E29-A31 PolarHBondContact O-N 3.31Å; A31-A35 PolarHBondContact O-N 3.35Å |
| 32 | V | 61.7 | Low | 70.3 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.5 | -50.2 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | K28 E29 N30 S34 A35 E36 | K28-V32 PolarHBondContact O-N 2.96Å; E29-V32 PolarHBondContact O-N 3.05Å; N30-V32 VanDerWaalsContact C-N 3.33Å; V32-S34 VanDerWaalsContact C-N 3.25Å; V32-S34 PolarHBondContact O-N 2.96Å; V32-A35 WeakPolarHBondContact O-CB 3.45Å; V32-A35 PolarHBondContact O-N 2.81Å; V32-E36 PolarHBondContact O-N 3.45Å |
| 33 | S | 62.7 | Low | 68.6 | Low | 68 Ų | 68 | 96.5 Ų | 96.5 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -32.9 | 179.8 | -47.7 | 0 | 0 | 0 | 0 | 113.4 | E29 | E29-S33 PolarHBondContact O-N 3.45Å |
| 34 | S | 58.4 | Low | 66.9 | Low | 82 Ų | 82 | 96.7 Ų | 96.7 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.8 | -27.8 | 175.4 | -168.9 | 0 | 0 | 0 | 0 | 113.3 | N30 V32 | N30-S34 PolarHBondContact O-N 3.22Å; N30-S34 VanDerWaalsContact O-N 3.16Å; V32-S34 VanDerWaalsContact C-N 3.25Å; V32-S34 PolarHBondContact O-N 2.96Å |
| 35 | A | 57.7 | Low | 65 | Low | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70 | -44 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A31 V32 L37 S38 D39 | A31-A35 PolarHBondContact O-N 3.35Å; V32-A35 WeakPolarHBondContact O-CB 3.45Å; V32-A35 PolarHBondContact O-N 2.81Å; A35-L37 PolarHBondContact O-N 3.38Å; A35-S38 WeakPolarHBondContact O-CB 3.28Å; A35-S38 PolarHBondContact O-N 3.4Å; A35-S38 VanDerWaalsContact O-N 3.09Å; A35-S38 PolarHBondContact O-OG 3.26Å; A35-D39 PolarHBondContact O-N 3.34Å |
| 36 | E | 56.7 | Low | 63.2 | Low | 142 Ų | 142 | 95.9 Ų | 95.9 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.7 | -45.8 | -177.1 | -64.1 | -178.2 | 153.1 | 0 | 0 | 112.2 | V32 S38 D39 | V32-E36 PolarHBondContact O-N 3.45Å; E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 3.32Å; E36-D39 PolarHBondContact O-N 3.08Å |
| 37 | L | 58.1 | Low | 61.4 | Low | 117 Ų | 117 | 98 Ų | 98 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.4 | -33.7 | 175.1 | -74.2 | 167.7 | 0 | 0 | 0 | 112.8 | A35 F41 | A35-L37 PolarHBondContact O-N 3.38Å; L37-F41 WeakPolarHBondContact O-CD2 3.45Å; L37-F41 PolarHBondContact O-N 2.94Å |
| 38 | S | 59.2 | Low | 59.7 | Low | 70 Ų | 70 | 98.1 Ų | 98.1 | 49% | 0.49 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.9 | -30.5 | -176.4 | 78.2 | 0 | 0 | 0 | 0 | 113.9 | A35 E36 S42 | A35-S38 WeakPolarHBondContact O-CB 3.28Å; A35-S38 PolarHBondContact O-N 3.4Å; A35-S38 VanDerWaalsContact O-N 3.09Å; A35-S38 PolarHBondContact O-OG 3.26Å; E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 3.32Å; S38-S42 WeakPolarHBondContact O-CB 3.07Å; S38-S42 PolarHBondContact O-N 3.38Å; S38-S42 PolarHBondContact O-OG 3.3Å |
| 39 | D | 57.4 | Low | 57.8 | Low | 79 Ų | 79 | 99 Ų | 99 | 42% | 0.422 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -81.4 | -33.4 | -178.5 | -157.8 | 58.7 | 0 | 0 | 0 | 111.7 | A35 E36 S42 R43 | A35-D39 PolarHBondContact O-N 3.34Å; E36-D39 PolarHBondContact O-N 3.08Å; D39-S42 WeakPolarHBondContact O-CB 3.48Å; D39-S42 PolarHBondContact O-N 2.94Å; D39-R43 WeakPolarHBondContact O-CD 3.5Å; D39-R43 VanDerWaalsContact O-CG 3.25Å; D39-R43 WeakPolarHBondContact O-CG 3.4Å; D39-R43 PolarHBondContact O-N 3.09Å; D39-R43 IonicContact OD2-CZ 3.14Å; D39-R43 IonicContact OD2-NE 2.8Å; D39-R43 PolarHBondContact OD2-NE 3.07Å; D39-R43 IonicContact OD2-NH2 2.68Å; D39-R43 PolarHBondContact OD2-NH2 3.23Å |
| 40 | E | 58.8 | Low | 56.1 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.8 | -50.6 | 173.8 | -165.4 | 62.6 | -147.7 | 0 | 0 | 111.6 | S42 R43 I44 | E40-S42 PolarHBondContact O-N 3.27Å; E40-R43 PolarHBondContact O-N 3.46Å; E40-R43 VanDerWaalsContact O-N 3.13Å; E40-I44 HydrophobicContact CG-CD1 4.46Å; E40-I44 WeakPolarHBondContact O-CG1 3.29Å; E40-I44 PolarHBondContact O-N 3.13Å; E40-I44 VanDerWaalsContact O-N 3.1Å |
| 41 | F | 55 | Low | 54.8 | Low | 143 Ų | 143 | 104.1 Ų | 104.1 | 63% | 0.627 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.1 | -32 | 176 | -90.8 | -86.8 | 0 | 0 | 0 | 112.9 | L37 S45 | L37-F41 WeakPolarHBondContact O-CD2 3.45Å; L37-F41 PolarHBondContact O-N 2.94Å; F41-S45 WeakPolarHBondContact O-CB 3.4Å; F41-S45 PolarHBondContact O-N 3.24Å; F41-S45 VanDerWaalsContact O-N 3.15Å; F41-S45 PolarHBondContact O-OG 2.73Å |
| 42 | S | 57.1 | Low | 53.8 | Low | 72 Ų | 72 | 107.9 Ų | 107.9 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.4 | -39.8 | 175.8 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | S38 D39 E40 A46 | S38-S42 WeakPolarHBondContact O-CB 3.07Å; S38-S42 PolarHBondContact O-N 3.38Å; S38-S42 PolarHBondContact O-OG 3.3Å; D39-S42 WeakPolarHBondContact O-CB 3.48Å; D39-S42 PolarHBondContact O-N 2.94Å; E40-S42 PolarHBondContact O-N 3.27Å; S42-A46 PolarHBondContact O-N 2.99Å |
| 43 | R | 55.8 | Low | 52.9 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 46% | 0.464 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.2 | -45.1 | 176.9 | -68.7 | 159.4 | -173 | -109.5 | -1.8 | 111.8 | D39 E40 A46 Q273 | D39-R43 WeakPolarHBondContact O-CD 3.5Å; D39-R43 VanDerWaalsContact O-CG 3.25Å; D39-R43 WeakPolarHBondContact O-CG 3.4Å; D39-R43 PolarHBondContact O-N 3.09Å; D39-R43 IonicContact OD2-CZ 3.14Å; D39-R43 IonicContact OD2-NE 2.8Å; D39-R43 PolarHBondContact OD2-NE 3.07Å; D39-R43 IonicContact OD2-NH2 2.68Å; D39-R43 PolarHBondContact OD2-NH2 3.23Å; E40-R43 PolarHBondContact O-N 3.46Å; E40-R43 VanDerWaalsContact O-N 3.13Å; R43-A46 PolarHBondContact O-N 3.41Å; R43-Q273 PolarHBondContact NH2-O 2.97Å |
| 44 | I | 54.8 | Low | 52.1 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 48% | 0.477 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -60.9 | -48.7 | 178 | -64.2 | 166.9 | 0 | 0 | 0 | 110.4 | E40 A46 S47 | E40-I44 HydrophobicContact CG-CD1 4.46Å; E40-I44 WeakPolarHBondContact O-CG1 3.29Å; E40-I44 PolarHBondContact O-N 3.13Å; E40-I44 VanDerWaalsContact O-N 3.1Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 3.23Å; I44-S47 WeakPolarHBondContact O-CB 3.34Å; I44-S47 PolarHBondContact O-N 3Å; I44-S47 VanDerWaalsContact O-N 3.1Å; I44-S47 PolarHBondContact O-OG 3.19Å |
| 45 | S | 50 | Low | 51.4 | Low | 81 Ų | 81 | 124.8 Ų | 124.8 | 57% | 0.566 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.2 | -33.5 | -176.7 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | F41 S47 | F41-S45 WeakPolarHBondContact O-CB 3.4Å; F41-S45 PolarHBondContact O-N 3.24Å; F41-S45 VanDerWaalsContact O-N 3.15Å; F41-S45 PolarHBondContact O-OG 2.73Å; S45-S47 PolarHBondContact O-N 3.09Å |
| 46 | A | 49.8 | Very low | 50.7 | Low | 82 Ų | 82 | 128.2 Ų | 128.2 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.9 | -18.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S42 R43 I44 | S42-A46 PolarHBondContact O-N 2.99Å; R43-A46 PolarHBondContact O-N 3.41Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 3.23Å |
| 47 | S | 49.7 | Very low | 49.9 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -20 | -174.5 | 73.3 | 0 | 0 | 0 | 0 | 114.8 | I44 S45 M49 | I44-S47 WeakPolarHBondContact O-CB 3.34Å; I44-S47 PolarHBondContact O-N 3Å; I44-S47 VanDerWaalsContact O-N 3.1Å; I44-S47 PolarHBondContact O-OG 3.19Å; S45-S47 PolarHBondContact O-N 3.09Å; S47-M49 PolarHBondContact O-N 3.45Å |
| 48 | V | 48.3 | Very low | 49.2 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | | | trans | -99.6 | 29.9 | -166.5 | -157.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 49 | M | 43.6 | Very low | 48 | Very low | 163 Ų | 163 | 135 Ų | 135 | 80% | 0.803 | 70% | 0.699 | S | S | * | * | | | trans | -110.1 | 74.8 | 177.7 | -77.9 | -78.3 | 105.3 | 0 | 0 | 111.8 | S47 P51 | S47-M49 PolarHBondContact O-N 3.45Å; M49-P51 WeakPolarHBondContact O-CD 3.39Å |
| 50 | R | 44.4 | Very low | 47.3 | Very low | 237 Ų | 237 | 136.9 Ų | 136.9 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -78 | 118.1 | 170.6 | -82.3 | -176.1 | 175.5 | 163.2 | 0.3 | 110.9 | T52 | R50-T52 PolarHBondContact O-N 3.04Š|
| 51 | P | 41.6 | Very low | 46.3 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 118.9 | 175.8 | 30.8 | -33.2 | 0 | 0 | 0 | 111.4 | M49 | M49-P51 WeakPolarHBondContact O-CD 3.39Š|
| 52 | T | 49.5 | Very low | 45.7 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 134.9 | 171.3 | 42.5 | 0 | 0 | 0 | 0 | 111 | R50 | R50-T52 PolarHBondContact O-N 3.04Š|
| 53 | R | 42.8 | Very low | 44.9 | Very low | 256 Ų | 256 | 145.9 Ų | 145.9 | 97% | 0.966 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 136.8 | -177.4 | -66 | 172.2 | 169.7 | 177.9 | -4.3 | 111.5 | | |
| 54 | G | 45 | Very low | 44.5 | Very low | 73 Ų | 73 | 146 Ų | 146 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -163.9 | 71.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 55 | R | 45.2 | Very low | 43.9 | Very low | 256 Ų | 256 | 150.4 Ų | 150.4 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | | | trans | 62 | 166.3 | 168 | -81.7 | -174.5 | 168.2 | -163.9 | -3.2 | 118 | | |
| 56 | T | 42.3 | Very low | 43.1 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -146.8 | 140.3 | -166.1 | 45.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 57 | R | 40.7 | Very low | 42.6 | Very low | 235 Ų | 235 | 150.3 Ų | 150.3 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | | | trans | 68.9 | 162.1 | 149.1 | -76 | -176.7 | 174.6 | -154.8 | -2.5 | 118.7 | | |
| 58 | P | 41.7 | Very low | 42.1 | Very low | 108 Ų | 108 | 155.1 Ų | 155.1 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | | | cis | -138 | 158.8 | -31.1 | 36 | -19.2 | 0 | 0 | 0 | 116 | | |
| 59 | N | 35.5 | Very low | 42.3 | Very low | 128 Ų | 128 | 159 Ų | 159 | 68% | 0.684 | 84% | 0.835 | S | S | * | * | | | trans | 31 | 116.2 | 137.3 | -169 | 44 | 0 | 0 | 0 | 121.1 | | |
| 60 | S | 41.9 | Very low | 42.6 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | | | trans | -150.1 | 134.3 | 150.5 | -89.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 61 | F | 36.8 | Very low | 42.9 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 84% | 0.842 | 84% | 0.84 | S | S | * | * | | | trans | -86.6 | 138.2 | 173.4 | -81.9 | -112.6 | 0 | 0 | 0 | 110.8 | | |
| 62 | S | 44.2 | Very low | 43.1 | Very low | 124 Ų | 124 | 158.1 Ų | 158.1 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | | | trans | -150.5 | 140.6 | 158.1 | -87.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 63 | K | 38.8 | Very low | 43.6 | Very low | 203 Ų | 203 | 155.5 Ų | 155.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -136.4 | 86.7 | -168.1 | -179.2 | -168.9 | 173.5 | -177.6 | 0 | 110.9 | | |
| 64 | T | 47.1 | Very low | 44.4 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | | | trans | -150.5 | 142 | 175.6 | 27.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 65 | Q | 42.5 | Very low | 44.9 | Very low | 186 Ų | 186 | 150.7 Ų | 150.7 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | 49.7 | 116.7 | 153.3 | -69.8 | 175.7 | -44.8 | 0 | 0 | 121.3 | | |
| 66 | G | 34.2 | Very low | 45.7 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | | 45.7 | 97 | 119.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 67 | G | 38.3 | Very low | 46.7 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | -155.5 | 70.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K69 | G67-K69 PolarHBondContact O-N 3.21Š|
| 68 | E | 40.4 | Very low | 47.9 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -61 | 96.8 | 179 | 179.6 | -174.6 | -161.4 | 0 | 0 | 111.7 | | |
| 69 | K | 51.6 | Low | 49.3 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -142.2 | 118 | 164.4 | -67.4 | -164.9 | 177.1 | -176.2 | 0 | 111.8 | G67 | G67-K69 PolarHBondContact O-N 3.21Š|
| 70 | T | 49.2 | Very low | 50.9 | Low | 144 Ų | 144 | 137.2 Ų | 137.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -13.1 | 124 | 159 | 51.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 71 | R | 51 | Low | 52.3 | Low | 240 Ų | 240 | 139.6 Ų | 139.6 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | -130.1 | 135 | 170.1 | -144 | 179.5 | -166.3 | -176.5 | 4.4 | 110.1 | A73 | R71-A73 PolarHBondContact O-N 2.96Š|
| 72 | D | 46.6 | Very low | 53.7 | Low | 124 Ų | 124 | 139.6 Ų | 139.6 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | -72.3 | 117.5 | -157.4 | -47.2 | -85.7 | 0 | 0 | 0 | 113.4 | S74 | D72-S74 PolarHBondContact O-N 2.86Š|
| 73 | A | 59 | Low | 54.6 | Low | 84 Ų | 84 | 142.3 Ų | 142.3 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -74 | -10.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R71 N75 | R71-A73 PolarHBondContact O-N 2.96Å; A73-N75 PolarHBondContact O-N 2.77Å |
| 74 | S | 59.6 | Low | 56 | Low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -66.1 | -18 | -173.4 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | D72 | D72-S74 PolarHBondContact O-N 2.86Š|
| 75 | N | 57.3 | Low | 56.7 | Low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -107.6 | 3.6 | -166.4 | -62.7 | 2.3 | 0 | 0 | 0 | 113.5 | A73 V77 | A73-N75 PolarHBondContact O-N 2.77Å; N75-V77 VanDerWaalsContact C-N 3.28Å; N75-V77 PolarHBondContact O-N 2.97Å |
| 76 | I | 60.5 | Low | 57.6 | Low | 125 Ų | 125 | 141.4 Ų | 141.4 | 64% | 0.641 | 76% | 0.762 | S | S | * | * | | | trans | -84.6 | 73.2 | 177.3 | -47.6 | -178.4 | 0 | 0 | 0 | 109.5 | L78 | I76-L78 HydrophobicContact CG2-CD2 3.79Å; I76-L78 HydrophobicContact CG2-CG 4.08Å; I76-L78 PolarHBondContact O-N 3.1Å |
| 77 | V | 62.8 | Low | 58.6 | Low | 134 Ų | 134 | 141.6 Ų | 141.6 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | | | trans | -68.9 | 98 | 163.6 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | N75 G79 | N75-V77 VanDerWaalsContact C-N 3.28Å; N75-V77 PolarHBondContact O-N 2.97Å; V77-G79 PolarHBondContact O-N 3.09Å |
| 78 | L | 65.9 | Low | 59.4 | Low | 138 Ų | 138 | 140.9 Ų | 140.9 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | | | trans | -68.5 | 78.7 | 167.8 | -65.9 | 178.8 | 0 | 0 | 0 | 109 | I76 | I76-L78 HydrophobicContact CG2-CD2 3.79Å; I76-L78 HydrophobicContact CG2-CG 4.08Å; I76-L78 PolarHBondContact O-N 3.1Å |
| 79 | G | 72.8 | Confident | 60.3 | Low | 42 Ų | 42 | 136.3 Ų | 136.3 | 43% | 0.433 | 73% | 0.727 | S | S | . | * | | | trans | -53.4 | 148 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V77 Q81 | V77-G79 PolarHBondContact O-N 3.09Å; G79-Q81 PolarHBondContact O-N 3.16Å |
| 80 | P | 69.5 | Low | 60.5 | Low | 130 Ų | 130 | 135.5 Ų | 135.5 | 84% | 0.844 | 73% | 0.726 | S | S | * | * | | | trans | -47.9 | 106 | -160.4 | 16.4 | -31.8 | 0 | 0 | 0 | 111.8 | K82 | P80-K82 PolarHBondContact O-N 3.35Š|
| 81 | Q | 70.7 | Confident | 60.9 | Low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | | | trans | -64.8 | 116.1 | -169 | -175.9 | 168.1 | -5 | 0 | 0 | 108.6 | G79 R83 | G79-Q81 PolarHBondContact O-N 3.16Å; Q81-R83 PolarHBondContact O-N 3.4Å |
| 82 | K | 66.5 | Low | 60.8 | Low | 191 Ų | 191 | 128 Ų | 128 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | | | trans | -66.4 | 80.7 | -178.2 | -72 | 178.7 | 177.6 | 171.6 | 0 | 110.4 | P80 T84 | P80-K82 PolarHBondContact O-N 3.35Å; K82-T84 PolarHBondContact O-N 3.29Å |
| 83 | R | 63.1 | Low | 60.9 | Low | 182 Ų | 182 | 130.5 Ų | 130.5 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | | | trans | -63.8 | 102.2 | 170.6 | -173 | 177.5 | -177.3 | 112.8 | -2.4 | 107.6 | Q81 W85 | Q81-R83 PolarHBondContact O-N 3.4Å; R83-W85 PolarHBondContact O-N 3.46Å; R83-W85 VanDerWaalsContact O-N 3.08Å |
| 84 | T | 66.5 | Low | 60.5 | Low | 88 Ų | 88 | 134.7 Ų | 134.7 | 54% | 0.54 | 72% | 0.723 | S | S | . | * | | | trans | -60 | 109.5 | 171.9 | 36.1 | 0 | 0 | 0 | 0 | 108.8 | K82 N86 T87 | K82-T84 PolarHBondContact O-N 3.29Å; T84-N86 PolarHBondContact O-N 2.99Å; T84-T87 PolarHBondContact O-N 3.23Å; T84-T87 PolarHBondContact O-OG1 3.4Å; T84-T87 PolarHBondContact OG1-OG1 2.72Å |
| 85 | W | 62.6 | Low | 60 | Low | 243 Ų | 243 | 135.6 Ų | 135.6 | 92% | 0.92 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -12.6 | -176.5 | -75.4 | -32.2 | 0 | 0 | 0 | 114.2 | R83 | R83-W85 PolarHBondContact O-N 3.46Å; R83-W85 VanDerWaalsContact O-N 3.08Å |
| 86 | N | 61.7 | Low | 59.4 | Low | 162 Ų | 162 | 137.4 Ų | 137.4 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 6.4 | -176.9 | -59.8 | 44.1 | 0 | 0 | 0 | 114 | T84 | T84-N86 PolarHBondContact O-N 2.99Š|
| 87 | T | 55.9 | Low | 58.5 | Low | 93 Ų | 93 | 134.3 Ų | 134.3 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -105.1 | 106.3 | 170.5 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | T84 | T84-T87 PolarHBondContact O-N 3.23Å; T84-T87 PolarHBondContact O-OG1 3.4Å; T84-T87 PolarHBondContact OG1-OG1 2.72Å |
| 88 | G | 55 | Low | 57.6 | Low | 58 Ų | 58 | 138.8 Ų | 138.8 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | | | trans | -58 | 152 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H90 | G88-H90 VanDerWaalsContact C-N 3.31Å; G88-H90 PolarHBondContact O-N 2.97Å |
| 89 | C | 57.9 | Low | 56.3 | Low | 97 Ų | 97 | 141 Ų | 141 | 66% | 0.655 | 74% | 0.739 | S | S | * | * | | | trans | -75 | 84 | 179.5 | -166.8 | 0 | 0 | 0 | 0 | 110.5 | V91 | C89-V91 PolarHBondContact O-N 2.59Š|
| 90 | H | 56.2 | Low | 54.9 | Low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | trans | -64.9 | 97.4 | 166.6 | -70.5 | -73.3 | 0 | 0 | 0 | 109.1 | G88 S92 | G88-H90 VanDerWaalsContact C-N 3.31Å; G88-H90 PolarHBondContact O-N 2.97Å; H90-S92 PolarHBondContact O-N 3.3Å |
| 91 | V | 57.4 | Low | 53.5 | Low | 120 Ų | 120 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -70.7 | 78.1 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | C89 Q93 | C89-V91 PolarHBondContact O-N 2.59Å; V91-Q93 PolarHBondContact O-N 3.46Å |
| 92 | S | 50.2 | Low | 52.1 | Low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -64.6 | 100.6 | 168.5 | 55.6 | 0 | 0 | 0 | 0 | 107.6 | H90 Q94 | H90-S92 PolarHBondContact O-N 3.3Å; S92-Q94 PolarHBondContact O-N 3.39Å |
| 93 | Q | 47.7 | Very low | 51.1 | Low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | -59.2 | 107.3 | 173.8 | -65.8 | -174.4 | 12.7 | 0 | 0 | 108.1 | V91 P95 | V91-Q93 PolarHBondContact O-N 3.46Å; Q93-P95 WeakPolarHBondContact O-CD 3.27Å |
| 94 | Q | 50.3 | Low | 50.1 | Low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -61.9 | 122.8 | 175.6 | 177.3 | 178.4 | -18.2 | 0 | 0 | 108.1 | S92 Q96 | S92-Q94 PolarHBondContact O-N 3.39Å; Q94-Q96 PolarHBondContact O-N 3.06Å; Q94-Q96 VanDerWaalsContact O-N 3.07Å |
| 95 | P | 50.2 | Low | 49 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -61.7 | 116.5 | 173.2 | -20.3 | 32.6 | 0 | 0 | 0 | 108.8 | Q93 G97 | Q93-P95 WeakPolarHBondContact O-CD 3.27Å; P95-G97 PolarHBondContact O-N 3.36Å |
| 96 | Q | 44.9 | Very low | 47.8 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -72.4 | 80.1 | 167.8 | -81.7 | -161.9 | -16.5 | 0 | 0 | 109.3 | Q94 R98 | Q94-Q96 PolarHBondContact O-N 3.06Å; Q94-Q96 VanDerWaalsContact O-N 3.07Å; Q96-R98 PolarHBondContact O-N 3.42Å |
| 97 | G | 40.4 | Very low | 47.1 | Very low | 59 Ų | 59 | 132.7 Ų | 132.7 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | | | trans | -61.6 | 100.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | P95 E99 | P95-G97 PolarHBondContact O-N 3.36Å; G97-E99 VanDerWaalsContact C-N 3.3Å; G97-E99 PolarHBondContact O-N 2.67Å |
| 98 | R | 44.1 | Very low | 46.5 | Very low | 228 Ų | 228 | 139.9 Ų | 139.9 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -76.1 | 81.4 | 174 | -80.6 | -173.2 | 170.5 | -170.2 | -2.6 | 110.3 | Q96 S100 | Q96-R98 PolarHBondContact O-N 3.42Å; R98-S100 PolarHBondContact O-N 3.39Å |
| 99 | E | 39.1 | Very low | 45.6 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -83.5 | 82.5 | 168.7 | -66.9 | -176.3 | -134.3 | 0 | 0 | 109.7 | G97 | G97-E99 VanDerWaalsContact C-N 3.3Å; G97-E99 PolarHBondContact O-N 2.67Å |
| 100 | S | 43.2 | Very low | 44.9 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -166.6 | 87.2 | 174.1 | -78.2 | 0 | 0 | 0 | 0 | 112.9 | R98 | R98-S100 PolarHBondContact O-N 3.39Š|
| 101 | S | 39.3 | Very low | 44.5 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -162.2 | 48 | 157.5 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | T103 | S101-T103 PolarHBondContact O-N 2.68Å; S101-T103 VanDerWaalsContact O-N 3.1Å |
| 102 | D | 42 | Very low | 43.9 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -73 | 93.1 | 164.9 | -83.5 | -49.2 | 0 | 0 | 0 | 109.9 | | |
| 103 | T | 45.9 | Very low | 43.7 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -160.2 | 99.3 | 154.5 | -4.1 | 0 | 0 | 0 | 0 | 113.5 | S101 | S101-T103 PolarHBondContact O-N 2.68Å; S101-T103 VanDerWaalsContact O-N 3.1Å |
| 104 | N | 42.8 | Very low | 43.5 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | 24.8 | 143.4 | 138.9 | -68.2 | -37.5 | 0 | 0 | 0 | 121.8 | | |
| 105 | N | 42.7 | Very low | 43.1 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | 94.3 | 135.4 | 158 | -56.9 | -36.2 | 0 | 0 | 0 | 117.4 | | |
| 106 | S | 38.1 | Very low | 42.8 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | | | cis | -162.5 | 165.4 | -22.5 | -159.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 107 | T | 46.4 | Very low | 42.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | 66.1 | 124.8 | 164 | 68.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 108 | R | 42.1 | Very low | 42.4 | Very low | 244 Ų | 244 | 151 Ų | 151 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | 79.6 | 141.7 | 148.8 | -74 | -177.4 | 172.2 | -169 | -0.6 | 119.6 | | |
| 109 | S | 36.2 | Very low | 42.3 | Very low | 76 Ų | 76 | 145.9 Ų | 145.9 | 53% | 0.531 | 76% | 0.759 | S | S | . | * | | | cis | 176.9 | 132.7 | -21.3 | 143.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 110 | K | 43.4 | Very low | 42.5 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | | | trans | 68 | 148.5 | 157.3 | -65.7 | 166.9 | -169.9 | -178 | 0 | 115.6 | | |
| 111 | F | 49.1 | Very low | 42.4 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | cis | -155.7 | 151 | -5.1 | -109.7 | -39.6 | 0 | 0 | 0 | 108.4 | | |
| 112 | N | 44.4 | Very low | 42.7 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | 63.7 | 154.7 | 146.3 | -65.7 | 15 | 0 | 0 | 0 | 118.9 | | |
| 113 | S | 44.9 | Very low | 42.8 | Very low | 88 Ų | 88 | 148.3 Ų | 148.3 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | cis | -167.3 | 147.6 | -18.7 | 46.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 114 | E | 44.4 | Very low | 43 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | | | trans | 50.9 | 127.5 | 146.1 | -91.2 | 54.2 | -142.5 | 0 | 0 | 122.3 | | |
| 115 | N | 41.2 | Very low | 43.2 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | 90.4 | 124.8 | 133.7 | -77.4 | -43 | 0 | 0 | 0 | 121.9 | | |
| 116 | R | 44.6 | Very low | 43.4 | Very low | 231 Ų | 231 | 148.5 Ų | 148.5 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | trans | 71 | 152.7 | 156.1 | -59.9 | 168.2 | -164.8 | -165.7 | 5.3 | 116.5 | | |
| 117 | S | 39.8 | Very low | 43.8 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | cis | -163.3 | 163.4 | -39 | -135.3 | 0 | 0 | 0 | 0 | 108.1 | D119 | S117-D119 PolarHBondContact O-N 3.29Š|
| 118 | Y | 37.5 | Very low | 43.7 | Very low | 227 Ų | 227 | 149 Ų | 149 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | trans | -35.5 | 125.4 | 171.2 | -57.1 | -99.8 | 0 | 0 | 0 | 114.5 | | |
| 119 | D | 40.7 | Very low | 44.1 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | | | | -160 | 163.4 | 103.2 | -138.5 | -4.7 | 0 | 0 | 0 | 115.3 | S117 | S117-D119 PolarHBondContact O-N 3.29Š|
| 120 | K | 44.4 | Very low | 45.1 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -0.4 | 164.1 | 162.9 | -69.7 | 156.9 | -164.5 | 86.6 | 0 | 123.6 | | |
| 121 | Q | 40.5 | Very low | 45.6 | Very low | 169 Ų | 169 | 156 Ų | 156 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | 92.4 | 155.6 | 160 | -71.2 | 166.1 | -6.6 | 0 | 0 | 119 | | |
| 122 | H | 45.7 | Very low | 45.7 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | trans | 70.6 | 54 | 176.6 | -50.3 | -67.6 | 0 | 0 | 0 | 118.7 | K124 | H122-K124 PolarHBondContact O-N 3.04Š|
| 123 | C | 43.7 | Very low | 46.2 | Very low | 137 Ų | 137 | 161.2 Ų | 161.2 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 131 | 144.9 | -71.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 124 | K | 51 | Low | 46.5 | Very low | 199 Ų | 199 | 168.8 Ų | 168.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.1 | -171.1 | -62.5 | 176.5 | -178.3 | 177.3 | 0 | 111.1 | H122 T126 | H122-K124 PolarHBondContact O-N 3.04Å; K124-T126 PolarHBondContact O-N 2.79Å |
| 125 | A | 46.4 | Very low | 46.5 | Very low | 97 Ų | 97 | 167 Ų | 167 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S127 | A125-S127 PolarHBondContact O-N 2.85Å; A125-S127 VanDerWaalsContact O-N 3.15Å |
| 126 | T | 47.8 | Very low | 46.7 | Very low | 128 Ų | 128 | 169.7 Ų | 169.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -86 | 74.1 | 177 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | K124 | K124-T126 PolarHBondContact O-N 2.79Š|
| 127 | S | 46.4 | Very low | 46.9 | Very low | 89 Ų | 89 | 165.9 Ų | 165.9 | 62% | 0.622 | 81% | 0.808 | S | S | * | * | | | trans | -152.3 | 95.5 | 178.2 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | A125 | A125-S127 PolarHBondContact O-N 2.85Å; A125-S127 VanDerWaalsContact O-N 3.15Å |
| 128 | D | 42.9 | Very low | 47.8 | Very low | 137 Ų | 137 | 168.6 Ų | 168.6 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | | | trans | -170.2 | 7.6 | 160.7 | -106.7 | -27.9 | 0 | 0 | 0 | 115.2 | K130 | D128-K130 PolarHBondContact O-N 3.29Š|
| 129 | Y | 50.4 | Low | 48.6 | Very low | 207 Ų | 207 | 169 Ų | 169 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 43.8 | -172.2 | 43.2 | -98.4 | 0 | 0 | 0 | 115.2 | | |
| 130 | K | 57.8 | Low | 48.7 | Very low | 206 Ų | 206 | 166.5 Ų | 166.5 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | 23.2 | -178.3 | -146.8 | 178.9 | -176.1 | 178.1 | 0 | 115.2 | D128 | D128-K130 PolarHBondContact O-N 3.29Š|
| 131 | R | 53.7 | Low | 48.6 | Very low | 222 Ų | 222 | 166 Ų | 166 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -127.2 | -0.4 | -178.4 | -162.6 | 166.8 | -74.2 | -118.7 | 1.2 | 115.8 | | |
| 132 | E | 51.5 | Low | 48.9 | Very low | 175 Ų | 175 | 161 Ų | 161 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -114 | 73.3 | -166.5 | -67.8 | 174.2 | 167 | 0 | 0 | 112.8 | | |
| 133 | Y | 54.3 | Low | 49 | Very low | 232 Ų | 232 | 163.8 Ų | 163.8 | 91% | 0.91 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -141.4 | 18.7 | 176.9 | -116.6 | -85.2 | 0 | 0 | 0 | 114.7 | | |
| 134 | R | 50.8 | Low | 48.8 | Very low | 247 Ų | 247 | 161.4 Ų | 161.4 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -139.3 | 12.1 | -178.9 | -74.4 | -164.5 | 173.1 | -164.9 | -2 | 116 | | |
| 135 | S | 44.5 | Very low | 48.9 | Very low | 117 Ų | 117 | 162.2 Ų | 162.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -124 | 59.1 | -173 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 136 | H | 46.2 | Very low | 48.8 | Very low | 190 Ų | 190 | 165 Ų | 165 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | | | trans | -106.1 | 35.9 | 174.8 | -138.2 | -60.3 | 0 | 0 | 0 | 112.6 | | |
| 137 | D | 49.5 | Very low | 48.9 | Very low | 151 Ų | 151 | 171 Ų | 171 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | | | trans | -92.1 | 140.4 | -175.5 | -140.8 | -25.7 | 0 | 0 | 0 | 111.8 | R139 | D137-R139 PolarHBondContact O-N 2.9Š|
| 138 | I | 59.1 | Low | 48.9 | Very low | 162 Ų | 162 | 169.8 Ų | 169.8 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -86.7 | 35.3 | -153.5 | -55.9 | 165.8 | 0 | 0 | 0 | 112.4 | | |
| 139 | R | 54.4 | Low | 49.1 | Very low | 236 Ų | 236 | 173 Ų | 173 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | | | trans | -142 | 102.9 | 178.2 | -62.2 | -172.5 | -171.1 | -142.9 | -1.8 | 111.3 | D137 | D137-R139 PolarHBondContact O-N 2.9Š|
| 140 | G | 41.4 | Very low | 48.6 | Very low | 67 Ų | 67 | 166.7 Ų | 166.7 | 69% | 0.691 | 84% | 0.84 | S | S | * | * | | | trans | -66.7 | 165.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G142 | G140-G142 VanDerWaalsContact C-N 3.3Å; G140-G142 PolarHBondContact O-N 3.47Å |
| 141 | P | 42.6 | Very low | 48.2 | Very low | 149 Ų | 149 | 167.4 Ų | 167.4 | 97% | 0.968 | 84% | 0.837 | S | S | * | * | | | trans | -73.7 | 74.6 | -173.5 | 30.9 | -36.4 | 0 | 0 | 0 | 112.7 | | |
| 142 | G | 46.8 | Very low | 47.8 | Very low | 65 Ų | 65 | 165.2 Ų | 165.2 | 67% | 0.67 | 84% | 0.836 | S | S | * | * | | | trans | -110.2 | 90 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G140 | G140-G142 VanDerWaalsContact C-N 3.3Å; G140-G142 PolarHBondContact O-N 3.47Å |
| 143 | R | 49 | Very low | 47.7 | Very low | 227 Ų | 227 | 160.8 Ų | 160.8 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | | | trans | 60.1 | 96.7 | 166 | -49.9 | -170.6 | -166.9 | -70.2 | -0.1 | 116.8 | R145 | R143-R145 PolarHBondContact O-N 2.9Š|
| 144 | G | 38.5 | Very low | 47.7 | Very low | 86 Ų | 86 | 158.1 Ų | 158.1 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | -65.9 | 118.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 145 | R | 52.6 | Low | 47.5 | Very low | 217 Ų | 217 | 152 Ų | 152 | 82% | 0.819 | 82% | 0.818 | S | S | * | * | | | trans | -138.3 | 119.5 | 158.4 | -90.8 | -168.2 | 174.2 | -177.1 | -2.7 | 108.5 | R143 | R143-R145 PolarHBondContact O-N 2.9Š|
| 146 | D | 44.2 | Very low | 47.7 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | 29.5 | 88.1 | 154 | -48 | -45 | 0 | 0 | 0 | 117.2 | G148 | D146-G148 VanDerWaalsContact C-N 3.29Å; D146-G148 PolarHBondContact O-N 3.43Å |
| 147 | R | 49.6 | Very low | 47.6 | Very low | 254 Ų | 254 | 146.9 Ų | 146.9 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | | | trans | -70.6 | 91.2 | 155.4 | -79.5 | -175.3 | 174.2 | 165.1 | -0.9 | 108.8 | | |
| 148 | G | 47.5 | Very low | 47.6 | Very low | 64 Ų | 64 | 149.2 Ų | 149.2 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 148.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D146 G150 | D146-G148 VanDerWaalsContact C-N 3.29Å; D146-G148 PolarHBondContact O-N 3.43Å; G148-G150 PolarHBondContact O-N 3.42Å |
| 149 | F | 47.6 | Very low | 47.2 | Very low | 204 Ų | 204 | 148.3 Ų | 148.3 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 123.4 | -173.7 | -73.2 | -99.6 | 0 | 0 | 0 | 113.8 | | |
| 150 | G | 39.9 | Very low | 47.4 | Very low | 76 Ų | 76 | 146.3 Ų | 146.3 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 131 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G148 | G148-G150 PolarHBondContact O-N 3.42Š|
| 151 | R | 49 | Very low | 47.5 | Very low | 221 Ų | 221 | 148.3 Ų | 148.3 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -145.6 | 138.9 | 164 | -71.8 | -171.6 | 179.7 | -89.3 | 2.4 | 108.9 | | |
| 152 | H | 45.8 | Very low | 47.8 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | 51 | 107.1 | 174.7 | -96.9 | -114.5 | 0 | 0 | 0 | 116.2 | | |
| 153 | A | 48.8 | Very low | 47.7 | Very low | 81 Ų | 81 | 151.7 Ų | 151.7 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | | 68.7 | 111.5 | 59.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 154 | E | 53.7 | Low | 47.4 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -169 | 151.7 | 131.4 | -106.5 | 165.5 | -136.7 | 0 | 0 | 112.2 | | |
| 155 | C | 47.4 | Very low | 48 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | 41.2 | 100.5 | 153.6 | -60.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 156 | A | 47.4 | Very low | 48 | Very low | 78 Ų | 78 | 150.7 Ų | 150.7 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | | | | 170.6 | 114.8 | 117.3 | 0 | 0 | 0 | 0 | 0 | 113 | F158 | A156-F158 HydrophobicContact CB-CE2 4.4Š|
| 157 | P | 45.6 | Very low | 48.2 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | trans | -96.1 | 107.2 | 176.8 | 34.3 | -30 | 0 | 0 | 0 | 113 | I159 | P157-I159 PolarHBondContact O-N 3.5Š|
| 158 | F | 49.4 | Very low | 48.2 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -96 | 85.7 | 169.1 | -76 | -73.2 | 0 | 0 | 0 | 111.8 | A156 K160 | A156-F158 HydrophobicContact CB-CE2 4.4Å; F158-K160 PolarHBondContact O-N 2.91Å |
| 159 | I | 50.8 | Low | 48.7 | Very low | 142 Ų | 142 | 156.4 Ų | 156.4 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | | | trans | -77.8 | 112.3 | 166.4 | -59.4 | 176.2 | 0 | 0 | 0 | 108.2 | P157 | P157-I159 PolarHBondContact O-N 3.5Š|
| 160 | K | 58 | Low | 48.8 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -122.5 | 82 | 165.4 | -166.1 | 171.8 | -176.7 | 177.6 | 0 | 110.5 | F158 | F158-K160 PolarHBondContact O-N 2.91Š|
| 161 | N | 43.3 | Very low | 49.2 | Very low | 110 Ų | 110 | 157 Ų | 157 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | | | trans | -72 | 173.1 | 158.9 | -73.9 | -42.2 | 0 | 0 | 0 | 109.9 | | |
| 162 | H | 49.3 | Very low | 49.3 | Very low | 175 Ų | 175 | 157.8 Ų | 157.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | 69.6 | 134.4 | 179.2 | -29.8 | -72.2 | 0 | 0 | 0 | 113 | | |
| 163 | S | 43.9 | Very low | 49.5 | Very low | 109 Ų | 109 | 159.4 Ų | 159.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | cis | -108.5 | 173.5 | 11.2 | -164.6 | 0 | 0 | 0 | 0 | 114 | | |
| 164 | R | 44.1 | Very low | 49.7 | Very low | 212 Ų | 212 | 162.9 Ų | 162.9 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -79 | -169.7 | 152.4 | -70.4 | -178.7 | 171.1 | -178.4 | -3.1 | 109.4 | | |
| 165 | E | 50.7 | Low | 49.2 | Very low | 141 Ų | 141 | 159.1 Ų | 159.1 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | | | trans | 69.8 | 175.9 | -176.3 | -66 | 53.9 | -95.8 | 0 | 0 | 113.3 | R167 | E165-R167 PolarHBondContact O-N 3.47Š|
| 166 | D | 51.4 | Low | 49.1 | Very low | 156 Ų | 156 | 157.9 Ų | 157.9 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | trans | 59.3 | 21 | 175.6 | -61.7 | -10.9 | 0 | 0 | 0 | 120.3 | | |
| 167 | R | 49.3 | Very low | 49.1 | Very low | 227 Ų | 227 | 158.5 Ų | 158.5 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | | | trans | -106.1 | 6.9 | 165.8 | -99.2 | -166.2 | -74.6 | 166.8 | -5 | 116.9 | E165 I169 | E165-R167 PolarHBondContact O-N 3.47Å; R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 PolarHBondContact O-N 2.87Å; R167-I169 VanDerWaalsContact O-N 3.1Å |
| 168 | Y | 49.9 | Very low | 49.3 | Very low | 228 Ų | 228 | 161.3 Ų | 161.3 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 14.4 | -174.6 | -91.7 | -76.7 | 0 | 0 | 0 | 116.9 | | |
| 169 | I | 56.7 | Low | 49.8 | Very low | 138 Ų | 138 | 154.9 Ų | 154.9 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -6.3 | -164.3 | -62.9 | -179.1 | 0 | 0 | 0 | 114.5 | R167 | R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 PolarHBondContact O-N 2.87Å; R167-I169 VanDerWaalsContact O-N 3.1Å |
| 170 | H | 51.2 | Low | 50.5 | Low | 142 Ų | 142 | 156 Ų | 156 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -117.3 | -13.1 | -175 | -82 | 8.6 | 0 | 0 | 0 | 118 | R172 | H170-R172 PolarHBondContact O-N 3.36Š|
| 171 | D | 48 | Very low | 51.4 | Low | 150 Ų | 150 | 152.9 Ų | 152.9 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 27 | 175.7 | -63.6 | -33.2 | 0 | 0 | 0 | 114.2 | | |
| 172 | R | 50.3 | Low | 53.4 | Low | 237 Ų | 237 | 154 Ų | 154 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 14.7 | 178.9 | -80.1 | -164.1 | -175.4 | -139.7 | 5.1 | 114.5 | H170 | H170-R172 PolarHBondContact O-N 3.36Š|
| 173 | R | 50.4 | Low | 54.9 | Low | 211 Ų | 211 | 148.8 Ų | 148.8 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -127.9 | -13.4 | -171 | -73.3 | -171.8 | 176.4 | 166.3 | 0.1 | 117.9 | | |
| 174 | I | 52.6 | Low | 56.7 | Low | 153 Ų | 153 | 151.8 Ų | 151.8 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | trans | -137.6 | 61.5 | 175 | -41.7 | 178.8 | 0 | 0 | 0 | 110.3 | | |
| 175 | S | 42.6 | Very low | 58.7 | Low | 99 Ų | 99 | 150.8 Ų | 150.8 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | trans | -112.3 | 47.2 | 163.7 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | S177 | S175-S177 PolarHBondContact O-N 3.24Š|
| 176 | S | 45.3 | Very low | 59.9 | Low | 91 Ų | 91 | 149.1 Ų | 149.1 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | | | trans | -73 | 74.3 | 164.6 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | H178 | S176-H178 VanDerWaalsContact C-N 3.27Å; S176-H178 PolarHBondContact O-N 3.29Å |
| 177 | S | 48.1 | Very low | 61.2 | Low | 91 Ų | 91 | 145.4 Ų | 145.4 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | | | trans | -64.9 | 93 | 165.4 | 47.8 | 0 | 0 | 0 | 0 | 107.9 | S175 S179 | S175-S177 PolarHBondContact O-N 3.24Å; S177-S179 PolarHBondContact O-N 3.47Å; S177-S179 PolarHBondContact O-OG 2.98Å |
| 178 | H | 50.8 | Low | 62.7 | Low | 182 Ų | 182 | 143 Ų | 143 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | | | trans | -70.2 | 70.6 | 150.7 | -75.5 | -48.9 | 0 | 0 | 0 | 107.9 | S176 | S176-H178 VanDerWaalsContact C-N 3.27Å; S176-H178 PolarHBondContact O-N 3.29Å |
| 179 | S | 59.9 | Low | 64.3 | Low | 64 Ų | 64 | 133.5 Ų | 133.5 | 45% | 0.448 | 68% | 0.68 | S | S | . | * | | | trans | -58 | 144.4 | 130.7 | 36.9 | 0 | 0 | 0 | 0 | 107.3 | S177 D181 | S177-S179 PolarHBondContact O-N 3.47Å; S177-S179 PolarHBondContact O-OG 2.98Å; S179-D181 WeakPolarHBondContact CB-OD1 3.35Å; S179-D181 PolarHBondContact O-N 2.92Å; S179-D181 PolarHBondContact OG-OD1 3.48Å |
| 180 | D | 65.8 | Low | 65.5 | Low | 165 Ų | 165 | 131.1 Ų | 131.1 | 88% | 0.882 | 67% | 0.673 | S | S | * | * | | | trans | -72.5 | 79.9 | 169.1 | -61.4 | -74.7 | 0 | 0 | 0 | 107.9 | E182 | D180-E182 PolarHBondContact O-N 2.8Š|
| 181 | D | 75.9 | Confident | 67 | Low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | | | trans | -59.9 | 107.1 | 175.8 | -71.3 | -0.5 | 0 | 0 | 0 | 107.8 | S179 | S179-D181 WeakPolarHBondContact CB-OD1 3.35Å; S179-D181 PolarHBondContact O-N 2.92Å; S179-D181 PolarHBondContact OG-OD1 3.48Å |
| 182 | E | 84.7 | Confident | 68.5 | Low | 133 Ų | 133 | 125.6 Ų | 125.6 | 62% | 0.621 | 66% | 0.656 | S | S | * | * | | | trans | -60.2 | 132.2 | -172 | -156.9 | 176.3 | 178.3 | 0 | 0 | 109.4 | D180 E184 F186 | D180-E182 PolarHBondContact O-N 2.8Å; E182-E184 PolarHBondContact O-N 3.2Å; E182-F186 HydrophobicContact CG-CB 3.82Å; E182-F186 HydrophobicContact CG-CD2 4.28Å; E182-F186 HydrophobicContact CG-CG 4.2Å |
| 183 | P | 82 | Confident | 70 | Confident | 66 Ų | 66 | 119.6 Ų | 119.6 | 43% | 0.429 | 65% | 0.645 | S | S | . | * | | | trans | -53.9 | 138.6 | -174 | -26.8 | 33.2 | 0 | 0 | 0 | 111.7 | W185 F186 | P183-W185 HydrophobicContact CB-CG 4.47Å; P183-W185 PolarHBondContact O-N 3.17Å; P183-F186 HydrophobicContact CB-CD2 4.09Å; P183-F186 HydrophobicContact CG-CD2 4.14Å; P183-F186 HydrophobicContact CG-CE2 4.34Å; P183-F186 WeakPolarHBondContact O-CB 3.42Å; P183-F186 PolarHBondContact O-N 3.17Å |
| 184 | E | 81.3 | Confident | 71.5 | Confident | 172 Ų | 172 | 117.1 Ų | 117.1 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -51.2 | -30 | -169.5 | -61.9 | 175.4 | 148.3 | 0 | 0 | 113.9 | E182 F186 A187 E188 | E182-E184 PolarHBondContact O-N 3.2Å; E184-F186 VanDerWaalsContact C-N 3.29Å; E184-F186 PolarHBondContact O-N 2.9Å; E184-A187 PolarHBondContact O-N 2.91Å; E184-A187 VanDerWaalsContact O-N 3.17Å; E184-E188 PolarHBondContact O-N 3.3Å |
| 185 | W | 85.2 | Confident | 73 | Confident | 190 Ų | 190 | 114.5 Ų | 114.5 | 72% | 0.72 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74 | -6.9 | 177.1 | 62.8 | -88.7 | 0 | 0 | 0 | 115.9 | P183 | P183-W185 HydrophobicContact CB-CG 4.47Å; P183-W185 PolarHBondContact O-N 3.17Å |
| 186 | F | 77.1 | Confident | 74.8 | Confident | 106 Ų | 106 | 113.3 Ų | 113.3 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -92.8 | -38.7 | 162.1 | -72.9 | -83.4 | 0 | 0 | 0 | 111.3 | E182 P183 E184 E188 G189 | E182-F186 HydrophobicContact CG-CB 3.82Å; E182-F186 HydrophobicContact CG-CD2 4.28Å; E182-F186 HydrophobicContact CG-CG 4.2Å; P183-F186 HydrophobicContact CB-CD2 4.09Å; P183-F186 HydrophobicContact CG-CD2 4.14Å; P183-F186 HydrophobicContact CG-CE2 4.34Å; P183-F186 WeakPolarHBondContact O-CB 3.42Å; P183-F186 PolarHBondContact O-N 3.17Å; E184-F186 VanDerWaalsContact C-N 3.29Å; E184-F186 PolarHBondContact O-N 2.9Å; F186-E188 VanDerWaalsContact C-N 3.32Å; F186-E188 PolarHBondContact O-N 3.09Å; F186-G189 PolarHBondContact O-N 3.38Å |
| 187 | A | 77.6 | Confident | 76.4 | Confident | 78 Ų | 78 | 115.5 Ų | 115.5 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.2 | -32.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E184 G189 | E184-A187 PolarHBondContact O-N 2.91Å; E184-A187 VanDerWaalsContact O-N 3.17Å; A187-G189 VanDerWaalsContact C-N 3.31Å; A187-G189 PolarHBondContact O-N 3.28Å |
| 188 | E | 81 | Confident | 78 | Confident | 177 Ų | 177 | 119 Ų | 119 | 83% | 0.827 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 36.2 | 174.2 | -154.9 | 176 | -158.2 | 0 | 0 | 112.5 | E184 F186 | E184-E188 PolarHBondContact O-N 3.3Å; F186-E188 VanDerWaalsContact C-N 3.32Å; F186-E188 PolarHBondContact O-N 3.09Å |
| 189 | G | 84 | Confident | 79.3 | Confident | 29 Ų | 29 | 117.3 Ų | 117.3 | 30% | 0.299 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -65.1 | 157 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F186 A187 T191 | F186-G189 PolarHBondContact O-N 3.38Å; A187-G189 VanDerWaalsContact C-N 3.31Å; A187-G189 PolarHBondContact O-N 3.28Å; G189-T191 WeakPolarHBondContact O-CG2 3.35Å; G189-T191 PolarHBondContact O-N 3.33Å |
| 190 | P | 81.5 | Confident | 79.4 | Confident | 87 Ų | 87 | 117.6 Ų | 117.6 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | | | trans | -58.7 | 113.5 | -177.7 | 24.5 | -34.2 | 0 | 0 | 0 | 110.9 | E195 | P190-E195 HydrophobicContact CB-CB 3.6Š|
| 191 | T | 82.3 | Confident | 79 | Confident | 116 Ų | 116 | 112.8 Ų | 112.8 | 71% | 0.712 | 63% | 0.629 | S | S | * | * | | | trans | -84.2 | -21.9 | -173.9 | 65 | 0 | 0 | 0 | 0 | 112.5 | G189 E195 | G189-T191 WeakPolarHBondContact O-CG2 3.35Å; G189-T191 PolarHBondContact O-N 3.33Å; T191-E195 PolarHBondContact N-OE2 2.8Å; T191-E195 PolarHBondContact OG1-OE1 3.13Å; T191-E195 PolarHBondContact OG1-OE2 3.46Å |
| 192 | T | 80.7 | Confident | 78.4 | Confident | 61 Ų | 61 | 114.3 Ų | 114.3 | 37% | 0.374 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -120.7 | 154.8 | 175.2 | 74.5 | 0 | 0 | 0 | 0 | 112 | N194 E195 | T192-N194 PolarHBondContact O-N 3.26Å; T192-E195 WeakPolarHBondContact CB-OE1 3.5Å; T192-E195 VanDerWaalsContact CG2-OE1 3.27Å; T192-E195 WeakPolarHBondContact CG2-OE1 3.16Å; T192-E195 PolarHBondContact N-OE2 3.41Å; T192-E195 PolarHBondContact O-N 3.06Å; T192-E195 PolarHBondContact OG1-N 2.77Å; T192-E195 PolarHBondContact OG1-OE1 3.03Å |
| 193 | V | 81.8 | Confident | 77.1 | Confident | 111 Ų | 111 | 115.1 Ų | 115.1 | 67% | 0.673 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -58.7 | -31.8 | 174 | -177 | 0 | 0 | 0 | 0 | 110.8 | E195 T196 | V193-E195 VanDerWaalsContact C-N 3.28Å; V193-E195 PolarHBondContact O-N 3.1Å; V193-T196 VanDerWaalsContact O-CB 3.28Å; V193-T196 WeakPolarHBondContact O-CB 3.19Å; V193-T196 PolarHBondContact O-N 3.33Å |
| 194 | N | 81.9 | Confident | 76 | Confident | 158 Ų | 158 | 120.6 Ų | 120.6 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -70.1 | -18.9 | 177.9 | -61.4 | 88 | 0 | 0 | 0 | 114.3 | T192 T196 | T192-N194 PolarHBondContact O-N 3.26Å; N194-T196 VanDerWaalsContact C-N 3.34Å |
| 195 | E | 83.9 | Confident | 74.9 | Confident | 99 Ų | 99 | 121.5 Ų | 121.5 | 46% | 0.463 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -83.2 | -12.4 | 169.3 | -71.5 | 141 | -126.3 | 0 | 0 | 112.3 | P190 T191 T192 V193 | P190-E195 HydrophobicContact CB-CB 3.6Å; T191-E195 PolarHBondContact N-OE2 2.8Å; T191-E195 PolarHBondContact OG1-OE1 3.13Å; T191-E195 PolarHBondContact OG1-OE2 3.46Å; T192-E195 WeakPolarHBondContact CB-OE1 3.5Å; T192-E195 VanDerWaalsContact CG2-OE1 3.27Å; T192-E195 WeakPolarHBondContact CG2-OE1 3.16Å; T192-E195 PolarHBondContact N-OE2 3.41Å; T192-E195 PolarHBondContact O-N 3.06Å; T192-E195 PolarHBondContact OG1-N 2.77Å; T192-E195 PolarHBondContact OG1-OE1 3.03Å; V193-E195 VanDerWaalsContact C-N 3.28Å; V193-E195 PolarHBondContact O-N 3.1Å |
| 196 | T | 79.3 | Confident | 73.4 | Confident | 73 Ų | 73 | 118.2 Ų | 118.2 | 45% | 0.448 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -85.6 | 120.1 | 178 | -56.2 | 0 | 0 | 0 | 0 | 110 | V193 N194 E198 | V193-T196 VanDerWaalsContact O-CB 3.28Å; V193-T196 WeakPolarHBondContact O-CB 3.19Å; V193-T196 PolarHBondContact O-N 3.33Å; N194-T196 VanDerWaalsContact C-N 3.34Å; T196-E198 PolarHBondContact O-N 3.23Å |
| 197 | I | 80.7 | Confident | 72.5 | Confident | 137 Ų | 137 | 119.1 Ų | 119.1 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | | | trans | -71.2 | 110.8 | 173.4 | 51.5 | 171.6 | 0 | 0 | 0 | 110.6 | L199 | I197-L199 HydrophobicContact CD1-CD2 4.14Å; I197-L199 HydrophobicContact CG1-CD2 4.45Å; I197-L199 PolarHBondContact O-N 3.22Å; I197-L199 VanDerWaalsContact O-N 3.09Å |
| 198 | E | 80.8 | Confident | 71.2 | Confident | 164 Ų | 164 | 124.3 Ų | 124.3 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | | | trans | -67.9 | 106 | 173.2 | -67.6 | -172.6 | 175 | 0 | 0 | 109.9 | T196 G200 | T196-E198 PolarHBondContact O-N 3.23Å; E198-G200 PolarHBondContact O-N 3.49Å |
| 199 | L | 77.9 | Confident | 69.4 | Low | 147 Ų | 147 | 122.6 Ų | 122.6 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | | | trans | -80.2 | 12.4 | 177.3 | -62.7 | 178.1 | 0 | 0 | 0 | 113.2 | I197 | I197-L199 HydrophobicContact CD1-CD2 4.14Å; I197-L199 HydrophobicContact CG1-CD2 4.45Å; I197-L199 PolarHBondContact O-N 3.22Å; I197-L199 VanDerWaalsContact O-N 3.09Å |
| 200 | G | 61.6 | Low | 67.5 | Low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | -96.1 | 113.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E198 | E198-G200 PolarHBondContact O-N 3.49Š|
| 201 | G | 58.2 | Low | 65.5 | Low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 158.3 | -29.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L203 | G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 3.36Å |
| 202 | I | 63.2 | Low | 63.5 | Low | 163 Ų | 163 | 126.5 Ų | 126.5 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 25.5 | -177.6 | 59 | 168.5 | 0 | 0 | 0 | 114.4 | | |
| 203 | L | 57.3 | Low | 61.7 | Low | 150 Ų | 150 | 129 Ų | 129 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | 7.6 | -174.1 | -157.2 | 61 | 0 | 0 | 0 | 115.4 | G201 | G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 3.36Å |
| 204 | E | 59.7 | Low | 59.7 | Low | 180 Ų | 180 | 133.2 Ų | 133.2 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -112 | -16.6 | 175.8 | -67.3 | -172.7 | 143.5 | 0 | 0 | 113.9 | T206 | E204-T206 PolarHBondContact O-N 2.86Š|
| 205 | E | 57.6 | Low | 57.6 | Low | 191 Ų | 191 | 131.3 Ų | 131.3 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 22.9 | -174.4 | -150.4 | 179.7 | -167.4 | 0 | 0 | 115.2 | | |
| 206 | T | 53.9 | Low | 55.5 | Low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | 7.3 | -175 | 52 | 0 | 0 | 0 | 0 | 116 | E204 | E204-T206 PolarHBondContact O-N 2.86Š|
| 207 | V | 58.1 | Low | 53.4 | Low | 125 Ų | 125 | 135 Ų | 135 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -130.9 | 17.6 | -172.6 | -151.9 | 0 | 0 | 0 | 0 | 115 | | |
| 208 | E | 50.8 | Low | 51.7 | Low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -140.6 | 27.8 | 177.5 | -141 | 161.4 | -128.8 | 0 | 0 | 116.9 | A210 | E208-A210 VanDerWaalsContact C-N 3.29Å; E208-A210 PolarHBondContact O-N 3.41Å |
| 209 | C | 43.1 | Very low | 50.2 | Low | 142 Ų | 142 | 135.4 Ų | 135.4 | 96% | 0.959 | 81% | 0.805 | S | S | * | * | | | trans | -88.3 | 53.4 | 169.5 | -83.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 210 | A | 43.4 | Very low | 48.5 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | -88 | 105 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109 | E208 | E208-A210 VanDerWaalsContact C-N 3.29Å; E208-A210 PolarHBondContact O-N 3.41Å |
| 211 | S | 39.5 | Very low | 47.6 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -65.9 | 142.6 | -173.4 | 57 | 0 | 0 | 0 | 0 | 113.2 | | |
| 212 | P | 39.7 | Very low | 47 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | | | | -134.9 | -173.4 | 115.5 | 39.2 | -30.7 | 0 | 0 | 0 | 112.7 | | |
| 213 | S | 43.8 | Very low | 46 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | 78 | 109.8 | 169 | -50.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 214 | K | 38.5 | Very low | 45.3 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | | | trans | -77.2 | 124.9 | 159 | -64.2 | 167.4 | 175.7 | 175.2 | 0 | 109.3 | | |
| 215 | C | 38.1 | Very low | 44.8 | Very low | 118 Ų | 118 | 141 Ų | 141 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -135.7 | 103.1 | 153.5 | -70.9 | 0 | 0 | 0 | 0 | 105.7 | | |
| 216 | L | 39.9 | Very low | 44.2 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | | 51.8 | 105.9 | 79.6 | -71.6 | 173.9 | 0 | 0 | 0 | 112.3 | | |
| 217 | G | 35.3 | Very low | 43.8 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -176.7 | 51.4 | -176 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 218 | V | 46.1 | Very low | 43.3 | Very low | 143 Ų | 143 | 138 Ų | 138 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -98.5 | 123.3 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 219 | E | 49.4 | Very low | 43 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -75.5 | 143 | -179.8 | -64.2 | -171.7 | 109.5 | 0 | 0 | 111.9 | | |
| 220 | N | 42.2 | Very low | 43.3 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | 15.5 | 109.9 | 146.6 | -50.3 | -27.9 | 0 | 0 | 0 | 117.8 | | |
| 221 | D | 41.9 | Very low | 43.5 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | | -173.5 | 105.1 | 120.2 | -102.1 | -17 | 0 | 0 | 0 | 111.1 | | |
| 222 | L | 45.7 | Very low | 43.6 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | | | trans | -177.7 | 116.8 | 154.5 | -104.3 | 155 | 0 | 0 | 0 | 109.2 | | |
| 223 | S | 41.9 | Very low | 43.7 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -114.3 | 167.4 | 174.3 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 224 | Q | 43.3 | Very low | 43.5 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | 72.2 | 147.1 | -172.6 | -43.5 | 179.1 | -9.9 | 0 | 0 | 113.1 | | |
| 225 | V | 48.1 | Very low | 43.9 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | cis | -131.3 | 159 | 10.4 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 226 | D | 45.9 | Very low | 43.9 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | | | trans | -61.2 | 176.2 | 164.1 | -40.2 | -82.7 | 0 | 0 | 0 | 112.2 | | |
| 227 | D | 46.1 | Very low | 44 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | cis | -152.6 | 176.9 | 6.1 | -150.8 | -32 | 0 | 0 | 0 | 110.7 | | |
| 228 | S | 47.3 | Very low | 44.4 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -36.8 | 143.3 | 174.1 | 55.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 229 | I | 44.4 | Very low | 44.2 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | | -169 | 148.4 | 104.5 | -93 | 157.6 | 0 | 0 | 0 | 110.5 | | |
| 230 | L | 48.1 | Very low | 43.9 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | -89.5 | 166.2 | -170.7 | -82.6 | 168.3 | 0 | 0 | 0 | 113.9 | | |
| 231 | P | 48.5 | Very low | 44.1 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | | | trans | -103.3 | -172.4 | -156.5 | 41.8 | -38.6 | 0 | 0 | 0 | 114 | | |
| 232 | N | 42.3 | Very low | 44 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | | 176.8 | 164.2 | 123.6 | -91.8 | -46.1 | 0 | 0 | 0 | 114.9 | | |
| 233 | S | 40.7 | Very low | 44.1 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | 70.9 | 99.6 | 160.8 | -171.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 234 | S | 40.9 | Very low | 44.3 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | | 23.3 | 158.3 | 116.2 | 41.9 | 0 | 0 | 0 | 0 | 124 | | |
| 235 | I | 46.5 | Very low | 44.4 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | trans | 88.7 | 109.3 | -179.6 | -51.9 | 166.8 | 0 | 0 | 0 | 111.2 | | |
| 236 | S | 37.7 | Very low | 44.2 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | cis | 98.3 | 148.7 | 32.2 | -163.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 237 | T | 41.6 | Very low | 44.2 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | 68.9 | 106.8 | 178 | 54.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 238 | K | 44.8 | Very low | 44.2 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | trans | 16.4 | 129.4 | 136.9 | -61.8 | 176.7 | 175.8 | 179.9 | 0 | 120.3 | | |
| 239 | N | 41.5 | Very low | 44 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | | -178.3 | 113.8 | 115.4 | -82.4 | -22.4 | 0 | 0 | 0 | 107 | | |
| 240 | V | 42.9 | Very low | 43.8 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | | | | 51.5 | 95 | 81.6 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 241 | F | 45.9 | Very low | 43.5 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | | | trans | -154.7 | 119.5 | 151.2 | -101.1 | -75.6 | 0 | 0 | 0 | 108.5 | | |
| 242 | D | 40.7 | Very low | 43 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -92.4 | 140.2 | 163.3 | -66.6 | -71.2 | 0 | 0 | 0 | 108.6 | | |
| 243 | D | 47.8 | Very low | 42.9 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -172.4 | 135.9 | 135.2 | -119 | -15.6 | 0 | 0 | 0 | 115.9 | | |
| 244 | K | 45.3 | Very low | 42.9 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 55.8 | 171.2 | 151.7 | -49.1 | -53.8 | 175.9 | -172.9 | 0 | 121.3 | | |
| 245 | A | 44.6 | Very low | 42.6 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | | -174.6 | 116.8 | -56.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 246 | S | 44.3 | Very low | 42.1 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -178 | 130.1 | 155.7 | 45.4 | 0 | 0 | 0 | 0 | 107 | | |
| 247 | E | 45.8 | Very low | 42 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | cis | 100.5 | 148.4 | 44.5 | -82 | -167.5 | 166 | 0 | 0 | 113.5 | | |
| 248 | A | 46 | Very low | 41.9 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 79.2 | 106.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 249 | E | 44.6 | Very low | 41.6 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | | | | 46.2 | 139.4 | 128.6 | -55.4 | -178.1 | 158.9 | 0 | 0 | 121.9 | | |
| 250 | G | 39.9 | Very low | 41.4 | Very low | 58 Ų | 58 | 145 Ų | 145 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | | | cis | 173.4 | 165.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 251 | H | 42 | Very low | 41.1 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | trans | 66.6 | 154.6 | 177.4 | -45.8 | -80.1 | 0 | 0 | 0 | 118.1 | | |
| 252 | A | 37.7 | Very low | 40.7 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 60% | 0.603 | 79% | 0.794 | S | S | * | * | | | cis | -166 | 155.2 | -38.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 253 | F | 39 | Very low | 40.4 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | 70.8 | 153.5 | 168.7 | -67.3 | -70.9 | 0 | 0 | 0 | 118.2 | | |
| 254 | P | 41.2 | Very low | 40.2 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | -134.1 | 163.1 | -130.6 | 42.3 | -26.4 | 0 | 0 | 0 | 118 | | |
| 255 | K | 34.8 | Very low | 40.1 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | | | trans | 20.2 | 115.3 | 150.3 | -69.5 | -176.8 | 172.9 | -176.4 | 0 | 118.4 | | |
| 256 | Q | 36.2 | Very low | 39.8 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | | -126.7 | 139.1 | 125.6 | -74.7 | -164.2 | -26.3 | 0 | 0 | 109.7 | | |
| 257 | S | 35.7 | Very low | 39.5 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -118.5 | 124.6 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 258 | S | 39 | Very low | 39.3 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -121.9 | 82.3 | 177.9 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | S260 | S258-S260 PolarHBondContact O-N 3.04Š|
| 259 | E | 39.3 | Very low | 39.3 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | -66.8 | 121.4 | 158.6 | -71.1 | 178.8 | 107.8 | 0 | 0 | 108.4 | | |
| 260 | S | 36.8 | Very low | 39.4 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -118.6 | 73.8 | 176 | 43.2 | 0 | 0 | 0 | 0 | 110 | S258 S262 | S258-S260 PolarHBondContact O-N 3.04Å; S260-S262 PolarHBondContact O-N 3.21Å |
| 261 | T | 36.9 | Very low | 40 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -62.7 | 113.7 | 173.6 | 47 | 0 | 0 | 0 | 0 | 110.6 | S263 | T261-S263 PolarHBondContact O-N 3.02Š|
| 262 | S | 36.1 | Very low | 40.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -77.9 | 80.1 | -178.2 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | S260 V264 | S260-S262 PolarHBondContact O-N 3.21Å; S262-V264 PolarHBondContact O-N 3.11Å; S262-V264 VanDerWaalsContact O-N 3.1Å |
| 263 | S | 36.2 | Very low | 41.4 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -74.6 | 93.2 | 169 | 45.3 | 0 | 0 | 0 | 0 | 111.3 | T261 V265 | T261-S263 PolarHBondContact O-N 3.02Å; S263-V265 PolarHBondContact O-N 2.86Å |
| 264 | V | 42.8 | Very low | 42.1 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -68 | 100.4 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | S262 | S262-V264 PolarHBondContact O-N 3.11Å; S262-V264 VanDerWaalsContact O-N 3.1Å |
| 265 | V | 43.6 | Very low | 43.4 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | | | trans | -92.1 | 103.9 | 172.2 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | S263 H267 | S263-V265 PolarHBondContact O-N 2.86Å; V265-H267 PolarHBondContact O-N 3.13Å |
| 266 | N | 38.3 | Very low | 45.2 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | -67.7 | 99.6 | 177.1 | -71.9 | -26.8 | 0 | 0 | 0 | 110.7 | V268 | N266-V268 PolarHBondContact O-N 2.99Š|
| 267 | H | 38.1 | Very low | 46.8 | Very low | 163 Ų | 163 | 124 Ų | 124 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | -81.2 | 96.5 | 178.5 | -136.1 | -53.5 | 0 | 0 | 0 | 110.4 | V265 M269 | V265-H267 PolarHBondContact O-N 3.13Å; H267-M269 PolarHBondContact O-N 3.33Å; H267-M269 VanDerWaalsContact O-N 3.14Å |
| 268 | V | 41.4 | Very low | 48.2 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 79% | 0.788 | 70% | 0.696 | S | S | * | * | | | trans | -65.5 | 112.1 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | N266 | N266-V268 PolarHBondContact O-N 2.99Š|
| 269 | M | 45.5 | Very low | 49.4 | Very low | 140 Ų | 140 | 126 Ų | 126 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | | | trans | -74.7 | 153.1 | 169.2 | -70.1 | -87.1 | 91.4 | 0 | 0 | 110.3 | H267 | H267-M269 PolarHBondContact O-N 3.33Å; H267-M269 VanDerWaalsContact O-N 3.14Å |
| 270 | S | 47.4 | Very low | 50.6 | Low | 92 Ų | 92 | 121.4 Ų | 121.4 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | | | trans | -123.4 | 94.9 | -171.2 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | S272 | S270-S272 PolarHBondContact O-N 2.87Å; S270-S272 PolarHBondContact O-OG 3.46Å |
| 271 | D | 52.5 | Low | 51.8 | Low | 167 Ų | 167 | 123.4 Ų | 123.4 | 89% | 0.893 | 67% | 0.671 | S | S | * | * | | | trans | -72 | 48.6 | -167.5 | -52.9 | -43.4 | 0 | 0 | 0 | 115.5 | | |
| 272 | S | 54.7 | Low | 53.3 | Low | 71 Ų | 71 | 124.4 Ų | 124.4 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | | | trans | -109.2 | -3.7 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | S270 G274 K278 | S270-S272 PolarHBondContact O-N 2.87Å; S270-S272 PolarHBondContact O-OG 3.46Å; S272-G274 VanDerWaalsContact C-N 3.25Å; S272-G274 PolarHBondContact O-N 3Å; S272-K278 WeakPolarHBondContact O-CE 3.3Å; S272-K278 PolarHBondContact O-NZ 3.12Å |
| 273 | Q | 54 | Low | 54.3 | Low | 145 Ų | 145 | 128.1 Ų | 128.1 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -83.2 | 40 | -173.5 | -69.5 | -73.5 | 11.2 | 0 | 0 | 114.4 | R43 | R43-Q273 PolarHBondContact NH2-O 2.97Š|
| 274 | G | 53.4 | Low | 55.2 | Low | 57 Ų | 57 | 130.4 Ų | 130.4 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -159.7 | -50.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S272 R276 | S272-G274 VanDerWaalsContact C-N 3.25Å; S272-G274 PolarHBondContact O-N 3Å; G274-R276 PolarHBondContact O-N 3.02Å |
| 275 | S | 69.7 | Low | 55.4 | Low | 60 Ų | 60 | 133.6 Ų | 133.6 | 42% | 0.42 | 68% | 0.681 | S | S | . | * | | | trans | -52.7 | 133.4 | -170.1 | 179.3 | 0 | 0 | 0 | 0 | 114 | F277 K278 | S275-F277 PolarHBondContact O-N 2.78Å; S275-F277 PolarHBondContact OG-N 3.33Å; S275-K278 VanDerWaalsContact O-CE 3.22Å; S275-K278 WeakPolarHBondContact O-CE 3.4Å; S275-K278 WeakPolarHBondContact O-CG 3.22Å |
| 276 | R | 70.9 | Confident | 55.9 | Low | 224 Ų | 224 | 135.6 Ų | 135.6 | 85% | 0.845 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -0.3 | 175.2 | -137.7 | 179.4 | 77.7 | -154.9 | 1 | 113.5 | G274 | G274-R276 PolarHBondContact O-N 3.02Š|
| 277 | F | 69.8 | Low | 56.2 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 54% | 0.535 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.3 | 21.8 | -178.1 | -57.2 | -72.8 | 0 | 0 | 0 | 113.3 | S275 H279 L280 F281 | S275-F277 PolarHBondContact O-N 2.78Å; S275-F277 PolarHBondContact OG-N 3.33Å; F277-H279 PolarHBondContact O-N 2.83Å; F277-L280 HydrophobicContact CB-CD1 4.28Å; F277-L280 HydrophobicContact CD1-CD1 3.89Å; F277-L280 HydrophobicContact CG-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.01Å; F277-F281 HydrophobicContact CB-CD2 4.06Å; F277-F281 HydrophobicContact CB-CE2 3.96Å; F277-F281 PolarHBondContact O-N 3.27Å |
| 278 | K | 65.1 | Low | 56.2 | Low | 98 Ų | 98 | 132.1 Ų | 132.1 | 43% | 0.426 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.7 | -35 | -175.9 | -46.6 | -156 | -176.2 | -156 | 0 | 113.3 | S272 S275 L280 F281 Q282 | S272-K278 WeakPolarHBondContact O-CE 3.3Å; S272-K278 PolarHBondContact O-NZ 3.12Å; S275-K278 VanDerWaalsContact O-CE 3.22Å; S275-K278 WeakPolarHBondContact O-CE 3.4Å; S275-K278 WeakPolarHBondContact O-CG 3.22Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.24Å; K278-F281 PolarHBondContact O-N 3.46Å; K278-Q282 PolarHBondContact O-N 3.26Å |
| 279 | H | 65.3 | Low | 56.3 | Low | 167 Ų | 167 | 132.7 Ų | 132.7 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -16.4 | 178.5 | -50.4 | -59.8 | 0 | 0 | 0 | 114.8 | F277 | F277-H279 PolarHBondContact O-N 2.83Š|
| 280 | L | 64.5 | Low | 56.3 | Low | 90 Ų | 90 | 132.4 Ų | 132.4 | 47% | 0.471 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -22.5 | 174.4 | -63.8 | 178.9 | 0 | 0 | 0 | 112.7 | F277 K278 N308 | F277-L280 HydrophobicContact CB-CD1 4.28Å; F277-L280 HydrophobicContact CD1-CD1 3.89Å; F277-L280 HydrophobicContact CG-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.01Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.24Å; L280-N308 PolarHBondContact O-ND2 3.37Å |
| 281 | F | 62 | Low | 56.1 | Low | 152 Ų | 152 | 137.5 Ų | 137.5 | 67% | 0.667 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -120.9 | 27.5 | -174.3 | -58.6 | -70.4 | 0 | 0 | 0 | 112.7 | F277 K278 K283 | F277-F281 HydrophobicContact CB-CD2 4.06Å; F277-F281 HydrophobicContact CB-CE2 3.96Å; F277-F281 PolarHBondContact O-N 3.27Å; K278-F281 PolarHBondContact O-N 3.46Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 2.94Å |
| 282 | Q | 68.3 | Low | 55.4 | Low | 144 Ų | 144 | 136.1 Ų | 136.1 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | | | trans | -70.8 | 88.1 | 176.1 | -170.4 | 160.4 | -3.3 | 0 | 0 | 109.2 | K278 N284 | K278-Q282 PolarHBondContact O-N 3.26Å; Q282-N284 PolarHBondContact O-N 3.45Å |
| 283 | K | 56.3 | Low | 54.6 | Low | 191 Ų | 191 | 138.1 Ų | 138.1 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | | | trans | -56.1 | 124.8 | 171.8 | -72.8 | -178.6 | 175.8 | 179.2 | 0 | 108.3 | F281 E285 | F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 2.94Å; K283-E285 PolarHBondContact O-N 3.15Å |
| 284 | N | 56.3 | Low | 53.5 | Low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | | | trans | -72.1 | 98 | 171.3 | -69.2 | -27.3 | 0 | 0 | 0 | 108.2 | Q282 I286 | Q282-N284 PolarHBondContact O-N 3.45Å; N284-I286 PolarHBondContact O-N 2.75Å |
| 285 | E | 47.1 | Very low | 52.5 | Low | 186 Ų | 186 | 142.9 Ų | 142.9 | 87% | 0.869 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.7 | 165.7 | -69.4 | -179.3 | 162.4 | 0 | 0 | 108.1 | K283 P287 | K283-E285 PolarHBondContact O-N 3.15Å; E285-P287 WeakPolarHBondContact O-CD 3.48Å |
| 286 | I | 52.5 | Low | 51 | Low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 121.4 | -179 | -59.2 | 170.4 | 0 | 0 | 0 | 107.2 | N284 | N284-I286 PolarHBondContact O-N 2.75Š|
| 287 | P | 44.9 | Very low | 49.5 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 59% | 0.591 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 139 | 174.3 | 28.8 | -33.7 | 0 | 0 | 0 | 110.2 | E285 E289 | E285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-E289 PolarHBondContact O-N 3.3Å |
| 288 | D | 39.3 | Very low | 48.2 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | -72.8 | 93.4 | -179.5 | -172.4 | 0.1 | 0 | 0 | 0 | 110.8 | N290 | D288-N290 PolarHBondContact O-N 3.32Å; D288-N290 PolarHBondContact OD1-ND2 2.72Å |
| 289 | E | 43.8 | Very low | 46.8 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | trans | -70.8 | 59 | -177.8 | -81.6 | -75.4 | 156.8 | 0 | 0 | 113 | P287 | P287-E289 PolarHBondContact O-N 3.3Š|
| 290 | N | 43.7 | Very low | 45.6 | Very low | 134 Ų | 134 | 148 Ų | 148 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | trans | -115 | 18.9 | 177.9 | -88.2 | -66.7 | 0 | 0 | 0 | 114 | D288 | D288-N290 PolarHBondContact O-N 3.32Å; D288-N290 PolarHBondContact OD1-ND2 2.72Å |
| 291 | K | 44.1 | Very low | 44.4 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -143.6 | 70.7 | 173.4 | -74.8 | -166.3 | 177.6 | 176.2 | 0 | 114.6 | P293 | K291-P293 WeakPolarHBondContact O-CD 3.45Š|
| 292 | L | 37.5 | Very low | 43.2 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | | | trans | -80 | 135.9 | 164.2 | -90.6 | 164.6 | 0 | 0 | 0 | 112.4 | | |
| 293 | P | 38.1 | Very low | 42.2 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -107.1 | 143.7 | 137.9 | 34.1 | -29.1 | 0 | 0 | 0 | 110.3 | K291 | K291-P293 WeakPolarHBondContact O-CD 3.45Š|
| 294 | N | 31.5 | Very low | 41.6 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -70.3 | 165.8 | -172.3 | -64.1 | -50.2 | 0 | 0 | 0 | 114.4 | | |
| 295 | N | 32.7 | Very low | 41.7 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | trans | 88.6 | 69.2 | 163.3 | -52.1 | -23.9 | 0 | 0 | 0 | 118.7 | | |
| 296 | A | 37.7 | Very low | 43 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | | | trans | -152 | 149.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 297 | Y | 39.3 | Very low | 44.2 | Very low | 215 Ų | 215 | 131.1 Ų | 131.1 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | | | trans | -62.5 | 142.1 | -176.8 | -73.7 | -100.4 | 0 | 0 | 0 | 113 | N299 | Y297-N299 PolarHBondContact O-N 3.1Š|
| 298 | P | 41.3 | Very low | 45.8 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | | | trans | -77.2 | 82.6 | 179.2 | 32.7 | -35.7 | 0 | 0 | 0 | 111.5 | K300 | P298-K300 VanDerWaalsContact C-N 3.29Å; P298-K300 PolarHBondContact O-N 3.28Å |
| 299 | N | 37.1 | Very low | 47.7 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | | | trans | -63.8 | 93.6 | 160.2 | -82.2 | -27.7 | 0 | 0 | 0 | 108.4 | Y297 | Y297-N299 PolarHBondContact O-N 3.1Š|
| 300 | K | 39.1 | Very low | 49.4 | Very low | 190 Ų | 190 | 122 Ų | 122 | 83% | 0.826 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 128.4 | 173.8 | -70.9 | -178 | 177 | -179.9 | 0 | 108.9 | P298 A302 | P298-K300 VanDerWaalsContact C-N 3.29Å; P298-K300 PolarHBondContact O-N 3.28Å; K300-A302 PolarHBondContact O-N 3.26Å |
| 301 | P | 38.8 | Very low | 51.2 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 130.3 | 167 | 26.2 | -32.5 | 0 | 0 | 0 | 107.7 | | |
| 302 | A | 37.9 | Very low | 52.9 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 139 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | K300 L304 | K300-A302 PolarHBondContact O-N 3.26Å; A302-L304 PolarHBondContact O-N 3.4Å |
| 303 | P | 47.7 | Very low | 54.9 | Low | 114 Ų | 114 | 112.7 Ų | 112.7 | 74% | 0.74 | 61% | 0.612 | S | S | * | * | | | trans | -65.5 | 99.1 | 177.6 | 27.2 | -33.2 | 0 | 0 | 0 | 108.8 | D305 | P303-D305 PolarHBondContact O-N 2.9Š|
| 304 | L | 43.3 | Very low | 56.9 | Low | 171 Ų | 171 | 109.3 Ų | 109.3 | 90% | 0.895 | 59% | 0.588 | S | S | * | * | | | trans | -67.1 | 91.2 | 162.2 | -81 | 164.9 | 0 | 0 | 0 | 106.5 | A302 N306 | A302-L304 PolarHBondContact O-N 3.4Å; L304-N306 PolarHBondContact O-N 2.84Å |
| 305 | D | 58.6 | Low | 59.1 | Low | 66 Ų | 66 | 109.4 Ų | 109.4 | 35% | 0.353 | 59% | 0.587 | S | S | . | * | | | trans | -61.8 | 86.4 | 179.1 | -114.5 | 12.9 | 0 | 0 | 0 | 108.8 | P303 I307 Q310 R313 | P303-D305 PolarHBondContact O-N 2.9Å; D305-I307 PolarHBondContact O-N 3.13Å; D305-Q310 HydrophobicContact CB-CG 4.29Å; D305-Q310 PolarHBondContact OD2-NE2 3.5Å; D305-R313 IonicContact OD1-NH1 3.33Å; D305-R313 PolarHBondContact OD1-NH1 3.05Å |
| 306 | N | 73.3 | Confident | 60.9 | Low | 82 Ų | 82 | 109.4 Ų | 109.4 | 44% | 0.439 | 58% | 0.58 | S | S | . | * | | | trans | -60.7 | 132.8 | 175 | -177 | -9.7 | 0 | 0 | 0 | 108.2 | L304 N308 E309 Q310 | L304-N306 PolarHBondContact O-N 2.84Å; N306-N308 PolarHBondContact O-N 3.25Å; N306-N308 VanDerWaalsContact O-N 3.12Å; N306-N308 PolarHBondContact OD1-N 2.81Å; N306-E309 HydrophobicContact CB-CB 4.29Å; N306-E309 HydrophobicContact CB-CG 4.12Å; N306-E309 WeakPolarHBondContact O-CA 3.38Å; N306-E309 WeakPolarHBondContact O-CB 3.46Å; N306-E309 PolarHBondContact O-N 3.45Å; N306-Q310 PolarHBondContact O-N 3.29Å |
| 307 | I | 79.2 | Confident | 61.8 | Low | 82 Ų | 82 | 106.5 Ų | 106.5 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -50.5 | -38 | 174.5 | -71 | 166.4 | 0 | 0 | 0 | 110.3 | D305 E309 Q310 L311 I343 | D305-I307 PolarHBondContact O-N 3.13Å; I307-E309 PolarHBondContact O-N 2.91Å; I307-Q310 PolarHBondContact O-N 3.24Å; I307-L311 HydrophobicContact CG2-CD1 3.8Å; I307-L311 HydrophobicContact CG2-CG 4.24Å; I307-L311 WeakPolarHBondContact O-CB 3.39Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.25Å; I307-L311 PolarHBondContact O-N 3.1Å; I307-I343 HydrophobicContact CG2-CG2 3.86Å |
| 308 | N | 77.4 | Confident | 62.5 | Low | 61 Ų | 61 | 98.8 Ų | 98.8 | 33% | 0.326 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.1 | -63.3 | -3.4 | 0 | 0 | 0 | 112.9 | L280 N306 L312 | L280-N308 PolarHBondContact O-ND2 3.37Å; N306-N308 PolarHBondContact O-N 3.25Å; N306-N308 VanDerWaalsContact O-N 3.12Å; N306-N308 PolarHBondContact OD1-N 2.81Å; N308-L312 WeakPolarHBondContact O-CB 3.47Å; N308-L312 PolarHBondContact O-N 3.28Å |
| 309 | E | 80.2 | Confident | 62.2 | Low | 92 Ų | 92 | 99.2 Ų | 99.2 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.4 | -38.4 | 176.3 | -73.9 | -66.1 | 144.2 | 0 | 0 | 111.5 | N306 I307 R313 | N306-E309 HydrophobicContact CB-CB 4.29Å; N306-E309 HydrophobicContact CB-CG 4.12Å; N306-E309 WeakPolarHBondContact O-CA 3.38Å; N306-E309 WeakPolarHBondContact O-CB 3.46Å; N306-E309 PolarHBondContact O-N 3.45Å; I307-E309 PolarHBondContact O-N 2.91Å; E309-R313 VanDerWaalsContact O-CB 3.3Å; E309-R313 WeakPolarHBondContact O-CB 3.48Å; E309-R313 WeakPolarHBondContact O-CG 2.98Å; E309-R313 PolarHBondContact O-N 3.05Å |
| 310 | Q | 79.1 | Confident | 62.2 | Low | 27 Ų | 27 | 95.1 Ų | 95.1 | 13% | 0.126 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 175.3 | -67.2 | -172.7 | -22.8 | 0 | 0 | 111.7 | D305 N306 I307 R313 L314 I343 | D305-Q310 HydrophobicContact CB-CG 4.29Å; D305-Q310 PolarHBondContact OD2-NE2 3.5Å; N306-Q310 PolarHBondContact O-N 3.29Å; I307-Q310 PolarHBondContact O-N 3.24Å; Q310-R313 PolarHBondContact O-N 3.48Å; Q310-L314 PolarHBondContact O-N 2.87Å; Q310-L314 VanDerWaalsContact O-N 3.13Å; Q310-I343 HydrophobicContact CB-CD1 3.9Å; Q310-I343 HydrophobicContact CB-CG1 4.33Å; Q310-I343 HydrophobicContact CB-CG2 4.46Å |
| 311 | L | 81.4 | Confident | 62.3 | Low | 40 Ų | 40 | 91.2 Ų | 91.2 | 21% | 0.209 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 173.3 | -71.3 | 172.8 | 0 | 0 | 0 | 111.5 | I307 R313 L314 L315 L340 I343 | I307-L311 HydrophobicContact CG2-CD1 3.8Å; I307-L311 HydrophobicContact CG2-CG 4.24Å; I307-L311 WeakPolarHBondContact O-CB 3.39Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.25Å; I307-L311 PolarHBondContact O-N 3.1Å; L311-R313 VanDerWaalsContact C-N 3.33Å; L311-R313 PolarHBondContact O-N 2.79Å; L311-L314 PolarHBondContact O-N 3.32Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L311-L315 WeakPolarHBondContact O-CB 3.22Å; L311-L315 WeakPolarHBondContact O-CG 3.25Å; L311-L315 PolarHBondContact O-N 3.19Å; L311-L340 HydrophobicContact CD2-CD2 3.84Å; L311-I343 HydrophobicContact CD2-CG2 3.93Å; L311-I343 HydrophobicContact CG-CG2 3.98Å |
| 312 | L | 79.8 | Confident | 62.2 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 45% | 0.45 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 178.8 | -172 | 63.3 | 0 | 0 | 0 | 111.7 | N308 L314 L315 K316 | N308-L312 WeakPolarHBondContact O-CB 3.47Å; N308-L312 PolarHBondContact O-N 3.28Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 3.43Å; L312-L315 PolarHBondContact O-N 2.77Å; L312-K316 WeakPolarHBondContact O-CB 3.36Å; L312-K316 PolarHBondContact O-N 2.97Å |
| 313 | R | 79.7 | Confident | 62.6 | Low | 150 Ų | 150 | 93.1 Ų | 93.1 | 57% | 0.566 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -28.6 | 172.9 | -75.6 | 170.2 | -178.7 | 166.9 | 3.2 | 113.7 | D305 E309 Q310 L311 | D305-R313 IonicContact OD1-NH1 3.33Å; D305-R313 PolarHBondContact OD1-NH1 3.05Å; E309-R313 VanDerWaalsContact O-CB 3.3Å; E309-R313 WeakPolarHBondContact O-CB 3.48Å; E309-R313 WeakPolarHBondContact O-CG 2.98Å; E309-R313 PolarHBondContact O-N 3.05Å; Q310-R313 PolarHBondContact O-N 3.48Å; L311-R313 VanDerWaalsContact C-N 3.33Å; L311-R313 PolarHBondContact O-N 2.79Å |
| 314 | L | 79.6 | Confident | 62.3 | Low | 42 Ų | 42 | 90.4 Ų | 90.4 | 22% | 0.22 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -75.2 | -49 | 170.9 | -73.8 | -177.3 | 0 | 0 | 0 | 111.7 | Q310 L311 L312 K339 L340 I343 | Q310-L314 PolarHBondContact O-N 2.87Å; Q310-L314 VanDerWaalsContact O-N 3.13Å; L311-L314 PolarHBondContact O-N 3.32Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 3.43Å; L314-K339 HydrophobicContact CD1-CB 4.38Å; L314-K339 HydrophobicContact CD1-CG 4.21Å; L314-K339 HydrophobicContact CD2-CD 3.92Å; L314-K339 HydrophobicContact CD2-CG 4.22Å; L314-L340 HydrophobicContact CD1-CD2 3.67Å; L314-L340 HydrophobicContact CD1-CG 3.92Å; L314-I343 HydrophobicContact CD1-CD1 3.51Å; L314-I343 HydrophobicContact CG-CD1 4.28Å |
| 315 | L | 77.6 | Confident | 62.2 | Low | 139 Ų | 139 | 91.8 Ų | 91.8 | 73% | 0.728 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.7 | -37 | -174.7 | -69.7 | 168.4 | 0 | 0 | 0 | 113.1 | L311 L312 G317 | L311-L315 WeakPolarHBondContact O-CB 3.22Å; L311-L315 WeakPolarHBondContact O-CG 3.25Å; L311-L315 PolarHBondContact O-N 3.19Å; L312-L315 PolarHBondContact O-N 2.77Å; L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 PolarHBondContact O-N 2.9Å |
| 316 | K | 71.1 | Confident | 61.4 | Low | 165 Ų | 165 | 92.4 Ų | 92.4 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -7.9 | -175.4 | -163.7 | 166.3 | -176.5 | 173.2 | 0 | 113.8 | L312 | L312-K316 WeakPolarHBondContact O-CB 3.36Å; L312-K316 PolarHBondContact O-N 2.97Å |
| 317 | G | 56.4 | Low | 59.7 | Low | 39 Ų | 39 | 91.6 Ų | 91.6 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | | | trans | 71.1 | 161.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L315 C319 | L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 PolarHBondContact O-N 2.9Å; G317-C319 VanDerWaalsContact C-N 3.33Å; G317-C319 PolarHBondContact O-N 2.67Å |
| 318 | S | 54 | Low | 58.2 | Low | 53 Ų | 53 | 92 Ų | 92 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -79.2 | 79.2 | -179.6 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | L326 | S318-L326 WeakPolarHBondContact CB-O 3.42Å; S318-L326 PolarHBondContact OG-O 2.88Å |
| 319 | C | 35.7 | Very low | 56.8 | Low | 127 Ų | 127 | 97 Ų | 97 | 86% | 0.858 | 55% | 0.55 | S | S | * | . | | | trans | -116 | 103.9 | 175.3 | -171 | 0 | 0 | 0 | 0 | 110.4 | G317 | G317-C319 VanDerWaalsContact C-N 3.33Å; G317-C319 PolarHBondContact O-N 2.67Å |
| 320 | G | 36 | Very low | 55.6 | Low | 67 Ų | 67 | 100.9 Ų | 100.9 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 121.7 | 9.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 321 | N | 40.9 | Very low | 54.6 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 58% | 0.578 | 58% | 0.577 | S | S | * | * | | | trans | -131.6 | 107.7 | 173.6 | -95.9 | -57.6 | 0 | 0 | 0 | 112.9 | S323 S324 | N321-S323 PolarHBondContact O-N 2.81Å; N321-S324 PolarHBondContact O-OG 3Å |
| 322 | P | 38.3 | Very low | 54.1 | Low | 137 Ų | 137 | 106.4 Ų | 106.4 | 89% | 0.89 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 5.8 | -178.7 | 33 | -36.5 | 0 | 0 | 0 | 114.4 | | |
| 323 | S | 45.8 | Very low | 54.1 | Low | 107 Ų | 107 | 106.2 Ų | 106.2 | 75% | 0.748 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -7.8 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | N321 | N321-S323 PolarHBondContact O-N 2.81Š|
| 324 | S | 41.3 | Very low | 54.1 | Low | 57 Ų | 57 | 104.7 Ų | 104.7 | 40% | 0.399 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -105 | 126.3 | 172.1 | 53.9 | 0 | 0 | 0 | 0 | 110 | N321 L326 | N321-S324 PolarHBondContact O-OG 3Å; S324-L326 PolarHBondContact O-N 3.01Å |
| 325 | H | 40.8 | Very low | 54.1 | Low | 200 Ų | 200 | 107.6 Ų | 107.6 | 93% | 0.926 | 62% | 0.622 | S | S | * | * | | | trans | -73.9 | 24.9 | -167.8 | -144.1 | -70.1 | 0 | 0 | 0 | 115.2 | | |
| 326 | L | 41 | Very low | 54.4 | Low | 79 Ų | 79 | 103.6 Ų | 103.6 | 41% | 0.414 | 60% | 0.603 | S | S | . | * | | | trans | -104.7 | 82.1 | -173.6 | -62.4 | 175.3 | 0 | 0 | 0 | 110.4 | S318 S324 | S318-L326 WeakPolarHBondContact CB-O 3.42Å; S318-L326 PolarHBondContact OG-O 2.88Å; S324-L326 PolarHBondContact O-N 3.01Å |
| 327 | S | 37.5 | Very low | 55.1 | Low | 66 Ų | 66 | 99.4 Ų | 99.4 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | | | trans | -61 | 139.3 | 159.8 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | E329 N331 | S327-E329 PolarHBondContact O-N 3.38Å; S327-E329 WeakPolarHBondContact OG-CB 3.46Å; S327-E329 PolarHBondContact OG-N 2.79Å; S327-N331 PolarHBondContact O-ND2 3.36Å |
| 328 | P | 48.5 | Very low | 56.4 | Low | 90 Ų | 90 | 101.9 Ų | 101.9 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -66.3 | -16.6 | 175.9 | 27.8 | -34.9 | 0 | 0 | 0 | 113.2 | K330 N331 | P328-K330 PolarHBondContact O-N 2.66Å; P328-N331 PolarHBondContact O-ND2 3.17Å |
| 329 | E | 47.6 | Very low | 57.7 | Low | 166 Ų | 166 | 103.6 Ų | 103.6 | 78% | 0.776 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -81.3 | -7.7 | -159.2 | -156.7 | 171.6 | -144.2 | 0 | 0 | 116.1 | S327 | S327-E329 PolarHBondContact O-N 3.38Å; S327-E329 WeakPolarHBondContact OG-CB 3.46Å; S327-E329 PolarHBondContact OG-N 2.79Å |
| 330 | K | 55.2 | Low | 60.1 | Low | 174 Ų | 174 | 100.1 Ų | 100.1 | 76% | 0.757 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -134.8 | 12.1 | -176.7 | -67.8 | -168.9 | 177.5 | -175.8 | 0 | 115.6 | P328 N332 | P328-K330 PolarHBondContact O-N 2.66Å; K330-N332 PolarHBondContact O-N 2.82Å |
| 331 | N | 57.8 | Low | 62.4 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | | | trans | -77.7 | 91.7 | 178.4 | -58.8 | -71.4 | 0 | 0 | 0 | 110.3 | S327 P328 V336 | S327-N331 PolarHBondContact O-ND2 3.36Å; P328-N331 PolarHBondContact O-ND2 3.17Å; N331-V336 HydrophobicContact CB-CG2 4.04Å |
| 332 | N | 71.6 | Confident | 64.4 | Low | 115 Ų | 115 | 101 Ų | 101 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | | | trans | -52.4 | 144.2 | 170 | -75.9 | -21.4 | 0 | 0 | 0 | 110 | K330 L334 Q335 V336 | K330-N332 PolarHBondContact O-N 2.82Å; N332-L334 PolarHBondContact O-N 2.97Å; N332-Q335 WeakPolarHBondContact O-CB 3.27Å; N332-Q335 PolarHBondContact O-N 2.9Å; N332-V336 PolarHBondContact O-N 3.14Å |
| 333 | A | 79.3 | Confident | 66.5 | Low | 82 Ų | 82 | 95 Ų | 95 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -50.8 | -40 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q335 V336 E337 | A333-Q335 VanDerWaalsContact C-N 3.27Å; A333-Q335 PolarHBondContact O-N 3.43Å; A333-V336 PolarHBondContact O-N 3.29Å; A333-V336 VanDerWaalsContact O-N 3.13Å; A333-E337 WeakPolarHBondContact O-CB 3.26Å; A333-E337 PolarHBondContact O-N 3.18Å |
| 334 | L | 80.4 | Confident | 68.3 | Low | 117 Ų | 117 | 96 Ų | 96 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57 | -31.2 | 174.6 | -66.6 | 169.2 | 0 | 0 | 0 | 114.3 | N332 N338 | N332-L334 PolarHBondContact O-N 2.97Å; L334-N338 WeakPolarHBondContact O-CB 3.37Å; L334-N338 PolarHBondContact O-N 2.89Å; L334-N338 PolarHBondContact O-ND2 3.46Å |
| 335 | Q | 79.3 | Confident | 70.4 | Confident | 104 Ų | 104 | 99.2 Ų | 99.2 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.1 | -39.6 | 176.5 | -66.3 | 179.9 | -14.7 | 0 | 0 | 111.5 | N332 A333 K339 | N332-Q335 WeakPolarHBondContact O-CB 3.27Å; N332-Q335 PolarHBondContact O-N 2.9Å; A333-Q335 VanDerWaalsContact C-N 3.27Å; A333-Q335 PolarHBondContact O-N 3.43Å; Q335-K339 VanDerWaalsContact O-CB 3.28Å; Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 PolarHBondContact O-N 3.09Å |
| 336 | V | 84.7 | Confident | 72.1 | Confident | 55 Ų | 55 | 92.4 Ų | 92.4 | 33% | 0.333 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 173.6 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | N331 N332 A333 K339 L340 | N331-V336 HydrophobicContact CB-CG2 4.04Å; N332-V336 PolarHBondContact O-N 3.14Å; A333-V336 PolarHBondContact O-N 3.29Å; A333-V336 VanDerWaalsContact O-N 3.13Å; V336-K339 PolarHBondContact O-N 2.89Å; V336-L340 HydrophobicContact CG1-CD1 4.16Å; V336-L340 WeakPolarHBondContact O-CG 3.32Å; V336-L340 PolarHBondContact O-N 2.88Å |
| 337 | E | 84.1 | Confident | 73.4 | Confident | 76 Ų | 76 | 94.2 Ų | 94.2 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 177.1 | -165 | -161.6 | 156.4 | 0 | 0 | 112.1 | A333 K339 L340 R341 | A333-E337 WeakPolarHBondContact O-CB 3.26Å; A333-E337 PolarHBondContact O-N 3.18Å; E337-K339 VanDerWaalsContact C-N 3.26Å; E337-K339 PolarHBondContact O-N 3.35Å; E337-L340 PolarHBondContact O-N 2.78Å; E337-R341 WeakPolarHBondContact O-CB 3.42Å; E337-R341 VanDerWaalsContact O-CG 3.32Å; E337-R341 WeakPolarHBondContact O-CG 3.36Å; E337-R341 PolarHBondContact O-N 3.16Å; E337-R341 IonicContact OE1-CZ 3.14Å; E337-R341 IonicContact OE1-NE 2.65Å; E337-R341 PolarHBondContact OE1-NE 3.16Å; E337-R341 IonicContact OE1-NH2 2.66Å; E337-R341 PolarHBondContact OE1-NH2 2.83Å |
| 338 | N | 83.6 | Confident | 74.4 | Confident | 92 Ų | 92 | 93.2 Ų | 93.2 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 176.9 | -78.7 | -25.5 | 0 | 0 | 0 | 112 | L334 R341 S342 | L334-N338 WeakPolarHBondContact O-CB 3.37Å; L334-N338 PolarHBondContact O-N 2.89Å; L334-N338 PolarHBondContact O-ND2 3.46Å; N338-R341 WeakPolarHBondContact O-CB 3.47Å; N338-R341 PolarHBondContact O-N 2.96Å; N338-S342 PolarHBondContact O-N 3.34Å; N338-S342 PolarHBondContact O-OG 3.03Å; N338-S342 VanDerWaalsContact O-OG 3.14Å |
| 339 | K | 81.5 | Confident | 74.7 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.1 | -35.2 | 178.4 | -162.5 | 163.3 | 170.7 | -177.5 | 0 | 112.5 | L314 Q335 V336 E337 S342 I343 | L314-K339 HydrophobicContact CD1-CB 4.38Å; L314-K339 HydrophobicContact CD1-CG 4.21Å; L314-K339 HydrophobicContact CD2-CD 3.92Å; L314-K339 HydrophobicContact CD2-CG 4.22Å; Q335-K339 VanDerWaalsContact O-CB 3.28Å; Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 PolarHBondContact O-N 3.09Å; V336-K339 PolarHBondContact O-N 2.89Å; E337-K339 VanDerWaalsContact C-N 3.26Å; E337-K339 PolarHBondContact O-N 3.35Å; K339-S342 PolarHBondContact O-N 3.29Å; K339-I343 HydrophobicContact CG-CD1 4.38Å; K339-I343 WeakPolarHBondContact O-CD1 3.26Å; K339-I343 VanDerWaalsContact O-CG1 3.26Å; K339-I343 WeakPolarHBondContact O-CG1 3.39Å; K339-I343 PolarHBondContact O-N 3.26Å; K339-I343 VanDerWaalsContact O-N 3.1Å |
| 340 | L | 86 | Confident | 74.8 | Confident | 54 Ų | 54 | 90.6 Ų | 90.6 | 28% | 0.283 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 167.6 | -73.4 | 168.1 | 0 | 0 | 0 | 111.1 | L311 L314 V336 E337 S342 I343 L344 | L311-L340 HydrophobicContact CD2-CD2 3.84Å; L314-L340 HydrophobicContact CD1-CD2 3.67Å; L314-L340 HydrophobicContact CD1-CG 3.92Å; V336-L340 HydrophobicContact CG1-CD1 4.16Å; V336-L340 WeakPolarHBondContact O-CG 3.32Å; V336-L340 PolarHBondContact O-N 2.88Å; E337-L340 PolarHBondContact O-N 2.78Å; L340-S342 PolarHBondContact O-N 2.77Å; L340-I343 PolarHBondContact O-N 3.29Å; L340-L344 WeakPolarHBondContact O-CB 2.97Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.49Å; L340-L344 PolarHBondContact O-N 3.12Å |
| 341 | R | 86 | Confident | 74.5 | Confident | 141 Ų | 141 | 91.6 Ų | 91.6 | 53% | 0.532 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.1 | -47.6 | 175.1 | -72.6 | 170.6 | 176.2 | -122.7 | 7.8 | 111.2 | E337 N338 L344 L345 | E337-R341 WeakPolarHBondContact O-CB 3.42Å; E337-R341 VanDerWaalsContact O-CG 3.32Å; E337-R341 WeakPolarHBondContact O-CG 3.36Å; E337-R341 PolarHBondContact O-N 3.16Å; E337-R341 IonicContact OE1-CZ 3.14Å; E337-R341 IonicContact OE1-NE 2.65Å; E337-R341 PolarHBondContact OE1-NE 3.16Å; E337-R341 IonicContact OE1-NH2 2.66Å; E337-R341 PolarHBondContact OE1-NH2 2.83Å; N338-R341 WeakPolarHBondContact O-CB 3.47Å; N338-R341 PolarHBondContact O-N 2.96Å; R341-L344 PolarHBondContact O-N 2.72Å; R341-L345 VanDerWaalsContact O-CB 3.3Å; R341-L345 WeakPolarHBondContact O-CB 3.37Å; R341-L345 WeakPolarHBondContact O-CD1 3.21Å; R341-L345 WeakPolarHBondContact O-CG 3.28Å; R341-L345 PolarHBondContact O-N 3.07Å |
| 342 | S | 81.7 | Confident | 73.8 | Confident | 51 Ų | 51 | 94 Ų | 94 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 176.7 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | N338 K339 L340 L345 G346 H347 | N338-S342 PolarHBondContact O-N 3.34Å; N338-S342 PolarHBondContact O-OG 3.03Å; N338-S342 VanDerWaalsContact O-OG 3.14Å; K339-S342 PolarHBondContact O-N 3.29Å; L340-S342 PolarHBondContact O-N 2.77Å; S342-L345 PolarHBondContact O-N 3.44Å; S342-G346 PolarHBondContact O-N 2.98Å; S342-H347 CarbonylContact C-O 3.56Å; S342-H347 PolarHBondContact O-N 2.72Å |
| 343 | I | 83.5 | Confident | 72.2 | Confident | 11 Ų | 11 | 96.1 Ų | 96.1 | 6% | 0.056 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | -179.1 | -66.8 | 162.9 | 0 | 0 | 0 | 111.1 | I307 Q310 L311 L314 K339 L340 L345 G346 | I307-I343 HydrophobicContact CG2-CG2 3.86Å; Q310-I343 HydrophobicContact CB-CD1 3.9Å; Q310-I343 HydrophobicContact CB-CG1 4.33Å; Q310-I343 HydrophobicContact CB-CG2 4.46Å; L311-I343 HydrophobicContact CD2-CG2 3.93Å; L311-I343 HydrophobicContact CG-CG2 3.98Å; L314-I343 HydrophobicContact CD1-CD1 3.51Å; L314-I343 HydrophobicContact CG-CD1 4.28Å; K339-I343 HydrophobicContact CG-CD1 4.38Å; K339-I343 WeakPolarHBondContact O-CD1 3.26Å; K339-I343 VanDerWaalsContact O-CG1 3.26Å; K339-I343 WeakPolarHBondContact O-CG1 3.39Å; K339-I343 PolarHBondContact O-N 3.26Å; K339-I343 VanDerWaalsContact O-N 3.1Å; L340-I343 PolarHBondContact O-N 3.29Å; I343-L345 VanDerWaalsContact C-N 3.3Å; I343-L345 PolarHBondContact O-N 3.08Å; I343-G346 PolarHBondContact O-N 2.85Å; I343-G346 VanDerWaalsContact O-N 3.09Å |
| 344 | L | 83.5 | Confident | 70 | Confident | 129 Ų | 129 | 99.8 Ų | 99.8 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.4 | -28.9 | 178.4 | -69.5 | 170.4 | 0 | 0 | 0 | 113.1 | L340 R341 G346 | L340-L344 WeakPolarHBondContact O-CB 2.97Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.49Å; L340-L344 PolarHBondContact O-N 3.12Å; R341-L344 PolarHBondContact O-N 2.72Å; L344-G346 VanDerWaalsContact C-N 3.29Å |
| 345 | L | 84.1 | Confident | 68 | Low | 124 Ų | 124 | 99.5 Ų | 99.5 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -2.3 | 173 | -69.7 | 169.1 | 0 | 0 | 0 | 113.3 | R341 S342 I343 H347 | R341-L345 VanDerWaalsContact O-CB 3.3Å; R341-L345 WeakPolarHBondContact O-CB 3.37Å; R341-L345 WeakPolarHBondContact O-CD1 3.21Å; R341-L345 WeakPolarHBondContact O-CG 3.28Å; R341-L345 PolarHBondContact O-N 3.07Å; S342-L345 PolarHBondContact O-N 3.44Å; I343-L345 VanDerWaalsContact C-N 3.3Å; I343-L345 PolarHBondContact O-N 3.08Å; L345-H347 PolarHBondContact O-N 3.2Å |
| 346 | G | 77.5 | Confident | 65.9 | Low | 57 Ų | 57 | 96.8 Ų | 96.8 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 11.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S342 I343 L344 G348 | S342-G346 PolarHBondContact O-N 2.98Å; I343-G346 PolarHBondContact O-N 2.85Å; I343-G346 VanDerWaalsContact O-N 3.09Å; L344-G346 VanDerWaalsContact C-N 3.29Å; G346-G348 PolarHBondContact O-N 3Å; G346-G348 VanDerWaalsContact O-N 3.16Å |
| 347 | H | 67.9 | Low | 63.6 | Low | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.546 | 57% | 0.568 | S | S | . | * | | | trans | -75.9 | 101.5 | 170.8 | -68.3 | -57.8 | 0 | 0 | 0 | 109 | S342 L345 | S342-H347 CarbonylContact C-O 3.56Å; S342-H347 PolarHBondContact O-N 2.72Å; L345-H347 PolarHBondContact O-N 3.2Å |
| 348 | G | 58.5 | Low | 61.5 | Low | 45 Ų | 45 | 103.3 Ų | 103.3 | 46% | 0.464 | 59% | 0.588 | S | S | . | * | | | trans | -56.1 | 164.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G346 V350 | G346-G348 PolarHBondContact O-N 3Å; G346-G348 VanDerWaalsContact O-N 3.16Å; G348-V350 PolarHBondContact O-N 2.97Å |
| 349 | P | 55.1 | Low | 59.7 | Low | 70 Ų | 70 | 108 Ų | 108 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | | | trans | -61.9 | 103.3 | -168 | 24.3 | -34.4 | 0 | 0 | 0 | 112.1 | Y351 | P349-Y351 HydrophobicContact CB-CE2 4.45Å; P349-Y351 HydrophobicContact CG-CE2 4.36Å; P349-Y351 WeakPolarHBondContact O-CD2 3.35Å; P349-Y351 PolarHBondContact O-N 3.01Å |
| 350 | V | 49.9 | Very low | 57.6 | Low | 131 Ų | 131 | 113.5 Ų | 113.5 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | | | trans | -68.9 | 99.6 | 165.7 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | G348 | G348-V350 PolarHBondContact O-N 2.97Š|
| 351 | Y | 47.9 | Very low | 55.6 | Low | 194 Ų | 194 | 116 Ų | 116 | 76% | 0.761 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124.9 | 169.2 | -72.4 | -93.5 | 0 | 0 | 0 | 108.3 | P349 L353 | P349-Y351 HydrophobicContact CB-CE2 4.45Å; P349-Y351 HydrophobicContact CG-CE2 4.36Å; P349-Y351 WeakPolarHBondContact O-CD2 3.35Å; P349-Y351 PolarHBondContact O-N 3.01Å; Y351-L353 PolarHBondContact O-N 3.46Å |
| 352 | P | 43.5 | Very low | 53.9 | Low | 119 Ų | 119 | 118.6 Ų | 118.6 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129.3 | 168.3 | 26.7 | -32.5 | 0 | 0 | 0 | 107.9 | N354 | P352-N354 PolarHBondContact O-N 3.26Š|
| 353 | L | 38.3 | Very low | 52.5 | Low | 159 Ų | 159 | 122 Ų | 122 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.4 | 179.1 | -167.7 | 72.5 | 0 | 0 | 0 | 108.5 | Y351 V355 | Y351-L353 PolarHBondContact O-N 3.46Å; L353-V355 PolarHBondContact O-N 3.41Å |
| 354 | N | 32.7 | Very low | 51.7 | Low | 159 Ų | 159 | 125.4 Ų | 125.4 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | | | trans | -75.2 | 72.5 | -169.8 | -171 | 17.9 | 0 | 0 | 0 | 112.1 | P352 | P352-N354 PolarHBondContact O-N 3.26Š|
| 355 | V | 38.6 | Very low | 51 | Low | 112 Ų | 112 | 126 Ų | 126 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | | | trans | -75.4 | 131.5 | 167.2 | -176 | 0 | 0 | 0 | 0 | 108 | L353 | L353-V355 PolarHBondContact O-N 3.41Š|
| 356 | G | 35.1 | Very low | 50.7 | Low | 46 Ų | 46 | 123.3 Ų | 123.3 | 47% | 0.474 | 71% | 0.713 | S | S | . | * | | | trans | -64 | 176.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | V358 | G356-V358 VanDerWaalsContact C-N 3.33Å; G356-V358 PolarHBondContact O-N 3.49Å |
| 357 | P | 36.2 | Very low | 51 | Low | 142 Ų | 142 | 123.9 Ų | 123.9 | 92% | 0.922 | 71% | 0.705 | S | S | * | * | | | trans | -70.1 | 81.7 | -169.9 | 29.7 | -36.8 | 0 | 0 | 0 | 113.1 | | |
| 358 | V | 40.6 | Very low | 51.5 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | | | trans | -77.8 | 137.2 | 164 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | G356 | G356-V358 VanDerWaalsContact C-N 3.33Å; G356-V358 PolarHBondContact O-N 3.49Å |
| 359 | K | 46.3 | Very low | 52.5 | Low | 191 Ų | 191 | 128.4 Ų | 128.4 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | | | trans | -59.2 | 146.6 | -167.6 | -64.1 | 173.3 | -179.2 | 174 | 0 | 112.7 | S361 | K359-S361 PolarHBondContact O-N 3.31Š|
| 360 | E | 36.6 | Very low | 53.7 | Low | 203 Ų | 203 | 129.3 Ų | 129.3 | 95% | 0.949 | 72% | 0.72 | S | S | * | * | | | trans | -57.5 | 95.3 | 176.8 | -63.2 | -178.9 | 146.3 | 0 | 0 | 112.2 | | |
| 361 | S | 43.8 | Very low | 55.3 | Low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | | | trans | -94.5 | 146.4 | 155.6 | 56.1 | 0 | 0 | 0 | 0 | 108.9 | K359 | K359-S361 PolarHBondContact O-N 3.31Š|
| 362 | K | 49.7 | Very low | 56.8 | Low | 194 Ų | 194 | 121.8 Ų | 121.8 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | | | trans | -59.8 | 141.5 | -179.5 | -65 | 172.9 | -178.6 | 174.8 | 0 | 109.5 | A364 | K362-A364 PolarHBondContact O-N 3.19Š|
| 363 | P | 53.6 | Low | 58.4 | Low | 123 Ų | 123 | 119 Ų | 119 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | | | trans | -60.1 | 111.3 | 176.3 | 25.4 | -33.5 | 0 | 0 | 0 | 109.2 | V365 | P363-V365 PolarHBondContact O-N 2.82Š|
| 364 | A | 65.7 | Low | 60.1 | Low | 83 Ų | 83 | 117 Ų | 117 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | | | trans | -64.8 | 122.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | K362 L366 | K362-A364 PolarHBondContact O-N 3.19Å; A364-L366 VanDerWaalsContact C-N 3.33Å; A364-L366 PolarHBondContact O-N 3.38Å |
| 365 | V | 70.5 | Confident | 61.9 | Low | 142 Ų | 142 | 116.2 Ų | 116.2 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | | | trans | -74.7 | 94.1 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | P363 T367 | P363-V365 PolarHBondContact O-N 2.82Å; V365-T367 PolarHBondContact O-N 3.26Å |
| 366 | L | 76.4 | Confident | 63.1 | Low | 66 Ų | 66 | 117.4 Ų | 117.4 | 35% | 0.346 | 65% | 0.649 | S | S | . | * | | | trans | -51.5 | 133.1 | 175.8 | -55.5 | 175.2 | 0 | 0 | 0 | 109 | A364 E370 I371 | A364-L366 VanDerWaalsContact C-N 3.33Å; A364-L366 PolarHBondContact O-N 3.38Å; L366-E370 WeakPolarHBondContact CA-OE2 3.37Å; L366-E370 HydrophobicContact CB-CB 4.4Å; L366-E370 HydrophobicContact CB-CG 4.39Å; L366-E370 VanDerWaalsContact CD2-CD 3.43Å; L366-E370 HydrophobicContact CD2-CG 4.18Å; L366-E370 WeakPolarHBondContact CD2-OE2 3.49Å; L366-I371 HydrophobicContact CB-CD1 4.33Å; L366-I371 HydrophobicContact CB-CG1 3.91Å; L366-I371 HydrophobicContact CD1-CG1 4.44Å |
| 367 | T | 83.4 | Confident | 63.9 | Low | 69 Ų | 69 | 120.3 Ų | 120.3 | 42% | 0.423 | 66% | 0.657 | S | S | . | * | | | trans | -70.3 | 161.7 | 178.6 | 70.9 | 0 | 0 | 0 | 0 | 110.3 | V365 E369 E370 I371 | V365-T367 PolarHBondContact O-N 3.26Å; T367-E369 PolarHBondContact O-N 3.31Å; T367-E370 PolarHBondContact N-OE2 3.47Å; T367-E370 WeakPolarHBondContact O-CB 3.19Å; T367-E370 PolarHBondContact O-N 2.99Å; T367-E370 PolarHBondContact OG1-N 3.45Å; T367-I371 WeakPolarHBondContact O-CG1 3.5Å; T367-I371 PolarHBondContact O-N 3.47Å |
| 368 | V | 79 | Confident | 64.3 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -56.3 | -36.1 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | E372 | V368-E372 WeakPolarHBondContact O-CB 3.3Å; V368-E372 WeakPolarHBondContact O-CG 3.45Å; V368-E372 PolarHBondContact O-N 2.98Å |
| 369 | E | 80 | Confident | 64.5 | Low | 154 Ų | 154 | 122.9 Ų | 122.9 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.9 | -36.2 | 177.5 | -62.6 | 154.9 | 150.8 | 0 | 0 | 112.1 | T367 A373 | T367-E369 PolarHBondContact O-N 3.31Å; E369-A373 WeakPolarHBondContact O-CB 3.47Å; E369-A373 PolarHBondContact O-N 3.05Å |
| 370 | E | 80.9 | Confident | 64.1 | Low | 88 Ų | 88 | 116.4 Ų | 116.4 | 41% | 0.411 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.9 | -39.5 | 177.6 | -169.6 | 172.1 | -164.3 | 0 | 0 | 112.1 | L366 T367 A373 Q374 | L366-E370 WeakPolarHBondContact CA-OE2 3.37Å; L366-E370 HydrophobicContact CB-CB 4.4Å; L366-E370 HydrophobicContact CB-CG 4.39Å; L366-E370 VanDerWaalsContact CD2-CD 3.43Å; L366-E370 HydrophobicContact CD2-CG 4.18Å; L366-E370 WeakPolarHBondContact CD2-OE2 3.49Å; T367-E370 PolarHBondContact N-OE2 3.47Å; T367-E370 WeakPolarHBondContact O-CB 3.19Å; T367-E370 PolarHBondContact O-N 2.99Å; T367-E370 PolarHBondContact OG1-N 3.45Å; E370-A373 PolarHBondContact O-N 3.16Å; E370-Q374 WeakPolarHBondContact O-CG 3.34Å; E370-Q374 PolarHBondContact O-N 3.29Å |
| 371 | I | 82.3 | Confident | 63.9 | Low | 78 Ų | 78 | 114.4 Ų | 114.4 | 40% | 0.4 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.8 | -42.5 | 171.3 | -63.3 | 167.6 | 0 | 0 | 0 | 110.2 | L366 T367 Q374 L375 | L366-I371 HydrophobicContact CB-CD1 4.33Å; L366-I371 HydrophobicContact CB-CG1 3.91Å; L366-I371 HydrophobicContact CD1-CG1 4.44Å; T367-I371 WeakPolarHBondContact O-CG1 3.5Å; T367-I371 PolarHBondContact O-N 3.47Å; I371-Q374 PolarHBondContact O-N 3.3Å; I371-L375 HydrophobicContact CG2-CD1 4.12Å; I371-L375 WeakPolarHBondContact O-CG 3.41Å; I371-L375 PolarHBondContact O-N 2.82Å; I371-L375 VanDerWaalsContact O-N 3.09Å |
| 372 | E | 79.4 | Confident | 63.4 | Low | 90 Ų | 90 | 117.7 Ų | 117.7 | 42% | 0.421 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63.5 | -40.6 | 173.8 | -81.1 | -168.8 | -143.7 | 0 | 0 | 112.1 | V368 Q374 L375 K376 | V368-E372 WeakPolarHBondContact O-CB 3.3Å; V368-E372 WeakPolarHBondContact O-CG 3.45Å; V368-E372 PolarHBondContact O-N 2.98Å; E372-Q374 PolarHBondContact O-N 2.9Å; E372-L375 CarbonylContact O-C 3.52Å; E372-L375 PolarHBondContact O-N 3.41Å; E372-K376 HydrophobicContact CB-CD 4.34Å; E372-K376 WeakPolarHBondContact O-CB 3.35Å; E372-K376 WeakPolarHBondContact O-CD 3.09Å; E372-K376 PolarHBondContact O-N 2.83Å; E372-K376 IonicContact OE2-NZ 2.6Å; E372-K376 PolarHBondContact OE2-NZ 2.96Å |
| 373 | A | 77.6 | Confident | 62.7 | Low | 60 Ų | 60 | 113.4 Ų | 113.4 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | E369 E370 L375 K376 | E369-A373 WeakPolarHBondContact O-CB 3.47Å; E369-A373 PolarHBondContact O-N 3.05Å; E370-A373 PolarHBondContact O-N 3.16Å; A373-L375 VanDerWaalsContact C-N 3.28Å; A373-L375 PolarHBondContact O-N 2.91Å; A373-K376 PolarHBondContact O-N 3Å; A373-K376 VanDerWaalsContact O-N 3.16Å |
| 374 | Q | 74 | Confident | 61.9 | Low | 117 Ų | 117 | 114.6 Ų | 114.6 | 55% | 0.547 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.6 | -34.2 | 175.3 | -68.5 | 173.5 | 27.8 | 0 | 0 | 112.3 | E370 I371 E372 | E370-Q374 WeakPolarHBondContact O-CG 3.34Å; E370-Q374 PolarHBondContact O-N 3.29Å; I371-Q374 PolarHBondContact O-N 3.3Å; E372-Q374 PolarHBondContact O-N 2.9Å |
| 375 | L | 69.6 | Low | 60.7 | Low | 143 Ų | 143 | 118.8 Ų | 118.8 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -81.7 | -14 | 175.6 | -71.2 | 169.7 | 0 | 0 | 0 | 114.5 | I371 E372 A373 | I371-L375 HydrophobicContact CG2-CD1 4.12Å; I371-L375 WeakPolarHBondContact O-CG 3.41Å; I371-L375 PolarHBondContact O-N 2.82Å; I371-L375 VanDerWaalsContact O-N 3.09Å; E372-L375 CarbonylContact O-C 3.52Å; E372-L375 PolarHBondContact O-N 3.41Å; A373-L375 VanDerWaalsContact C-N 3.28Å; A373-L375 PolarHBondContact O-N 2.91Å |
| 376 | K | 64.5 | Low | 59 | Low | 137 Ų | 137 | 119.1 Ų | 119.1 | 60% | 0.596 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -87.1 | -8.5 | 176.7 | -99.6 | 87.3 | 175.3 | -179.5 | 0 | 113.9 | E372 A373 P378 | E372-K376 HydrophobicContact CB-CD 4.34Å; E372-K376 WeakPolarHBondContact O-CB 3.35Å; E372-K376 WeakPolarHBondContact O-CD 3.09Å; E372-K376 PolarHBondContact O-N 2.83Å; E372-K376 IonicContact OE2-NZ 2.6Å; E372-K376 PolarHBondContact OE2-NZ 2.96Å; A373-K376 PolarHBondContact O-N 3Å; A373-K376 VanDerWaalsContact O-N 3.16Å; K376-P378 VanDerWaalsContact O-CD 3.31Å; K376-P378 WeakPolarHBondContact O-CD 3.45Å |
| 377 | V | 52.1 | Low | 57.4 | Low | 107 Ų | 107 | 124.9 Ų | 124.9 | 65% | 0.648 | 67% | 0.671 | S | S | * | * | | | trans | -65.2 | 119.8 | -179 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 378 | P | 45 | Very low | 55.1 | Low | 109 Ų | 109 | 126.5 Ų | 126.5 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | | | trans | -66.8 | 140 | 174.8 | -18 | 32 | 0 | 0 | 0 | 111 | K376 G380 | K376-P378 VanDerWaalsContact O-CD 3.31Å; K376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-G380 VanDerWaalsContact C-N 3.29Å; P378-G380 PolarHBondContact O-N 3.41Å |
| 379 | Q | 44.9 | Very low | 53.6 | Low | 214 Ų | 214 | 129.1 Ų | 129.1 | 100% | 1 | 70% | 0.695 | S | S | * | * | | | trans | -72 | 86.1 | 166.9 | -71 | -177.3 | -26 | 0 | 0 | 109.4 | | |
| 380 | G | 36.5 | Very low | 51.9 | Low | 55 Ų | 55 | 128.5 Ų | 128.5 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | | | trans | -123.8 | 116.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | P378 L382 | P378-G380 VanDerWaalsContact C-N 3.29Å; P378-G380 PolarHBondContact O-N 3.41Å; G380-L382 PolarHBondContact O-N 3.4Å |
| 381 | D | 32.4 | Very low | 50 | Low | 161 Ų | 161 | 129.8 Ų | 129.8 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | | | trans | 17.4 | 87.6 | 161.8 | -58.9 | -28.9 | 0 | 0 | 0 | 118.6 | | |
| 382 | L | 34.7 | Very low | 48.2 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 93% | 0.927 | 73% | 0.732 | S | S | * | * | | | trans | -94.9 | 89.9 | 157.4 | -80.6 | 170 | 0 | 0 | 0 | 110.2 | G380 | G380-L382 PolarHBondContact O-N 3.4Š|
| 383 | T | 34.4 | Very low | 46.1 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 64% | 0.638 | 75% | 0.752 | S | S | * | * | | | trans | -119.2 | 130 | 161 | 60.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 384 | N | 36.2 | Very low | 44.3 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | 63.9 | 116.2 | -179.6 | -35.9 | -75.3 | 0 | 0 | 0 | 112.8 | | |
| 385 | L | 40.5 | Very low | 42.7 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | | -160.3 | 158.5 | 64.3 | -91 | 158.5 | 0 | 0 | 0 | 111.9 | | |
| 386 | N | 36 | Very low | 41.3 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -96.9 | 175.8 | 169.2 | -82 | -21.7 | 0 | 0 | 0 | 110.9 | | |
| 387 | E | 43.1 | Very low | 40.2 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | 69.9 | 100.8 | 162.8 | -69.6 | 175.6 | 127.1 | 0 | 0 | 117.5 | | |
| 388 | S | 34.5 | Very low | 39.7 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -78.6 | 140.9 | 153 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 389 | I | 47.9 | Very low | 39.6 | Very low | 161 Ų | 161 | 143 Ų | 143 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -148 | 130.5 | 148.4 | -93.8 | 140.5 | 0 | 0 | 0 | 106.4 | | |
| 390 | D | 43.1 | Very low | 39.7 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | -86.3 | -166.3 | -178.6 | -52.2 | -68.3 | 0 | 0 | 0 | 111.5 | | |
| 391 | P | 42.4 | Very low | 40.1 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | | | | -121.9 | -172 | -108.2 | 37 | -17.5 | 0 | 0 | 0 | 112.7 | | |
| 392 | I | 43.2 | Very low | 40.8 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | -179.5 | 146 | 139.3 | -96.9 | 152.9 | 0 | 0 | 0 | 110.4 | | |
| 393 | D | 35.9 | Very low | 41.3 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -72.6 | 138.8 | 177.7 | -56.5 | -85.1 | 0 | 0 | 0 | 114.2 | | |
| 394 | S | 40.6 | Very low | 41.7 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -160.1 | 103.1 | 145.9 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 395 | L | 39.2 | Very low | 42.1 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | trans | 21.5 | 112.6 | 145.1 | -95.9 | 62.8 | 0 | 0 | 0 | 121.2 | | |
| 396 | T | 39.9 | Very low | 42.2 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | | 73.8 | 155.2 | 124.5 | 60.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 397 | H | 42.9 | Very low | 42.8 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | | | trans | 87.3 | 75.5 | 157.9 | -73.5 | -64.3 | 0 | 0 | 0 | 121.4 | | |
| 398 | S | 40.4 | Very low | 42.8 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | | | | 67.2 | 110.8 | 113.6 | 60.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 399 | D | 42.2 | Very low | 43.4 | Very low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | | | trans | 78.5 | 152.4 | 131.5 | -76.9 | 2.4 | 0 | 0 | 0 | 122.2 | | |
| 400 | P | 49 | Very low | 43 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | trans | -119.3 | 169.2 | -150 | 41.9 | -30.7 | 0 | 0 | 0 | 114.2 | | |
| 401 | F | 44.8 | Very low | 42.8 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | trans | -147.5 | 149.4 | 151 | -120.2 | -82.2 | 0 | 0 | 0 | 114.4 | | |
| 402 | I | 46.8 | Very low | 42.8 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | trans | -65.3 | 147.6 | 174.7 | -65.5 | 148.3 | 0 | 0 | 0 | 108.7 | | |
| 403 | D | 44.6 | Very low | 42.9 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | | -166.3 | -179.8 | 79.1 | -148.2 | -4.9 | 0 | 0 | 0 | 115.9 | | |
| 404 | D | 43 | Very low | 43 | Very low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -96.4 | 179.2 | -156.6 | -162.5 | 3.4 | 0 | 0 | 0 | 115.3 | | |
| 405 | Q | 43.7 | Very low | 43 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 75.9 | 148.9 | 163.2 | -59.9 | -153.6 | 60 | 0 | 0 | 118.8 | | |
| 406 | A | 42.4 | Very low | 43 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 58% | 0.579 | 77% | 0.772 | S | S | * | * | | | cis | -167.4 | 163.4 | -14.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 407 | I | 49 | Very low | 42.9 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 67% | 0.672 | 77% | 0.773 | S | S | * | * | | | trans | 69.7 | 108.1 | 145.8 | -73.3 | 162 | 0 | 0 | 0 | 120.4 | | |
| 408 | K | 43.9 | Very low | 42.9 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | 39.4 | 127.1 | 130.6 | -43.5 | 165.6 | -163.3 | 162.7 | 0 | 119.4 | | |
| 409 | S | 46.3 | Very low | 42.7 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | | -179.3 | 146.2 | 100.2 | 48.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 410 | R | 40.1 | Very low | 42.3 | Very low | 255 Ų | 255 | 139 Ų | 139 | 96% | 0.962 | 78% | 0.778 | S | S | * | * | | | trans | 23.1 | 137.4 | 147.2 | -67.6 | 174.3 | 164.8 | 161.2 | -6.3 | 122 | | |
| 411 | G | 39.4 | Very low | 41.5 | Very low | 79 Ų | 79 | 139 Ų | 139 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | 156 | 99.1 | 134 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 412 | I | 41.1 | Very low | 41 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -113 | 142.3 | 162.8 | -29.1 | 175.6 | 0 | 0 | 0 | 107.9 | | |
| 413 | P | 45.3 | Very low | 40.3 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | | -143.1 | 134.3 | 108.1 | 26 | -5.7 | 0 | 0 | 0 | 114.1 | | |
| 414 | I | 39.1 | Very low | 39.6 | Very low | 169 Ų | 169 | 137 Ų | 137 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | | 66.6 | 118.3 | 96.7 | -56.8 | 163.6 | 0 | 0 | 0 | 115.1 | | |
| 415 | G | 39.7 | Very low | 39.1 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | 177.5 | 88.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 416 | S | 40.1 | Very low | 38.5 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -9.6 | 154.5 | 152.7 | 52.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 417 | S | 38.3 | Very low | 38 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | cis | -179.4 | 176.6 | -4.3 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 418 | K | 41.4 | Very low | 37.3 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | | | trans | 103.1 | 89.6 | 159.8 | -56.9 | -178.7 | -176.4 | 176.8 | 0 | 120.4 | | |
| 419 | N | 36.3 | Very low | 36.8 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | | 77.1 | 150.6 | 121.8 | -62.1 | 3.8 | 0 | 0 | 0 | 123.1 | | |
| 420 | C | 34.9 | Very low | 36.5 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | 77.1 | 105 | 179.1 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 421 | S | 32.2 | Very low | 36.6 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | cis | 70.6 | 129.1 | 41.9 | 95.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 422 | L | 34.1 | Very low | 36.9 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | cis | -143 | 151.5 | 4.9 | -119.9 | 154.2 | 0 | 0 | 0 | 113.1 | | |
| 423 | F | 32.3 | Very low | 37.5 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -61.7 | 166 | -176.6 | -102 | -106.9 | 0 | 0 | 0 | 116.6 | | |
| 424 | S | 28.4 | Very low | 37.6 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | -145.5 | 158 | 152.7 | -76.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 425 | Q | 32.4 | Very low | 38.2 | Very low | 189 Ų | 189 | 124.8 Ų | 124.8 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | trans | 66.6 | 102.2 | 170.5 | -57 | -173.7 | 18.8 | 0 | 0 | 119.4 | | |
| 426 | S | 32.5 | Very low | 38.6 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | trans | -176.7 | 151.7 | 130.8 | 36.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 427 | G | 31.5 | Very low | 39.1 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | cis | 145.2 | 80.3 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 428 | T | 34.7 | Very low | 39.5 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | | | trans | -141.1 | 139.4 | -174.9 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 429 | T | 32.4 | Very low | 39.7 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | -84.9 | 124.4 | 176.1 | 43.1 | 0 | 0 | 0 | 0 | 111.1 | N431 | T429-N431 PolarHBondContact O-N 3.46Å; T429-N431 VanDerWaalsContact O-N 3.15Å |
| 430 | S | 40.9 | Very low | 40 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | trans | -84.5 | 87.6 | -175.2 | 41.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 431 | N | 40.8 | Very low | 40.7 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | trans | -55.8 | 136.2 | 168.4 | -74.7 | -75.1 | 0 | 0 | 0 | 111.4 | T429 V433 P434 | T429-N431 PolarHBondContact O-N 3.46Å; T429-N431 VanDerWaalsContact O-N 3.15Å; N431-V433 PolarHBondContact O-N 3.15Å; N431-P434 WeakPolarHBondContact O-CD 3.16Å |
| 432 | L | 46.1 | Very low | 41.1 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 71% | 0.707 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -68.4 | -0.8 | -173.5 | -72.5 | 168.6 | 0 | 0 | 0 | 115.8 | I435 | L432-I435 HydrophobicContact CD2-CD1 4.27Š|
| 433 | V | 53.9 | Low | 41.6 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 62% | 0.618 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -61.3 | -43.3 | -172.9 | -177 | 0 | 0 | 0 | 0 | 114.3 | N431 I435 L436 Q437 | N431-V433 PolarHBondContact O-N 3.15Å; V433-I435 VanDerWaalsContact C-N 3.32Å; V433-I435 PolarHBondContact O-N 2.65Å; V433-L436 PolarHBondContact O-N 3.33Å; V433-Q437 PolarHBondContact O-N 2.99Å |
| 434 | P | 48.1 | Very low | 41.8 | Very low | 79 Ų | 79 | 126 Ų | 126 | 51% | 0.513 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -64.8 | -32.4 | -175.9 | -23.1 | 35.2 | 0 | 0 | 0 | 114 | N431 L436 Q437 S438 | N431-P434 WeakPolarHBondContact O-CD 3.16Å; P434-L436 PolarHBondContact O-N 3.04Å; P434-Q437 WeakPolarHBondContact O-CB 3.39Å; P434-Q437 PolarHBondContact O-N 3.5Å; P434-Q437 VanDerWaalsContact O-N 3.16Å; P434-S438 PolarHBondContact O-N 3.18Å; P434-S438 PolarHBondContact O-OG 2.94Å |
| 435 | I | 50.4 | Low | 42.1 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 55% | 0.554 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -66.4 | -40.5 | -175.5 | -62.5 | 170.9 | 0 | 0 | 0 | 110.7 | L432 V433 Q437 S438 L439 | L432-I435 HydrophobicContact CD2-CD1 4.27Å; V433-I435 VanDerWaalsContact C-N 3.32Å; V433-I435 PolarHBondContact O-N 2.65Å; I435-Q437 VanDerWaalsContact C-N 3.32Å; I435-S438 PolarHBondContact O-N 2.92Å; I435-L439 PolarHBondContact O-N 2.93Å |
| 436 | L | 49.1 | Very low | 42.3 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -67.7 | -33 | 174.7 | -68.8 | 171.1 | 0 | 0 | 0 | 112 | V433 P434 M440 | V433-L436 PolarHBondContact O-N 3.33Å; P434-L436 PolarHBondContact O-N 3.04Å; L436-M440 PolarHBondContact O-N 2.88Å |
| 437 | Q | 50.6 | Low | 42.3 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 58% | 0.584 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -69.2 | -41.8 | 176.8 | -161.6 | 170.1 | 14.9 | 0 | 0 | 111.7 | V433 P434 I435 L439 M440 I441 | V433-Q437 PolarHBondContact O-N 2.99Å; P434-Q437 WeakPolarHBondContact O-CB 3.39Å; P434-Q437 PolarHBondContact O-N 3.5Å; P434-Q437 VanDerWaalsContact O-N 3.16Å; I435-Q437 VanDerWaalsContact C-N 3.32Å; Q437-L439 PolarHBondContact O-N 2.85Å; Q437-M440 PolarHBondContact O-N 3.21Å; Q437-I441 HydrophobicContact CG-CD1 4.08Å; Q437-I441 WeakPolarHBondContact O-CG1 3.38Å; Q437-I441 PolarHBondContact O-N 3.22Å |
| 438 | S | 45.6 | Very low | 42.7 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -59.7 | -42.5 | 174.6 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | P434 I435 M440 I441 | P434-S438 PolarHBondContact O-N 3.18Å; P434-S438 PolarHBondContact O-OG 2.94Å; I435-S438 PolarHBondContact O-N 2.92Å; S438-M440 PolarHBondContact O-N 2.86Å; S438-I441 PolarHBondContact O-N 2.97Å |
| 439 | L | 46.8 | Very low | 42.9 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -65.1 | -24.7 | 177.7 | -82.7 | 162.8 | 0 | 0 | 0 | 113.6 | I435 Q437 | I435-L439 PolarHBondContact O-N 2.93Å; Q437-L439 PolarHBondContact O-N 2.85Å |
| 440 | M | 43.2 | Very low | 42.9 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -87.2 | -15.6 | -177.5 | -131 | 176.6 | 65.7 | 0 | 0 | 114.1 | L436 Q437 S438 | L436-M440 PolarHBondContact O-N 2.88Å; Q437-M440 PolarHBondContact O-N 3.21Å; S438-M440 PolarHBondContact O-N 2.86Å |
| 441 | I | 48.1 | Very low | 42.8 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -97.1 | -23 | -171.2 | -68.9 | 170 | 0 | 0 | 0 | 113.1 | Q437 S438 K443 | Q437-I441 HydrophobicContact CG-CD1 4.08Å; Q437-I441 WeakPolarHBondContact O-CG1 3.38Å; Q437-I441 PolarHBondContact O-N 3.22Å; S438-I441 PolarHBondContact O-N 2.97Å; I441-K443 PolarHBondContact O-N 3.04Å |
| 442 | G | 42.1 | Very low | 42.4 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -70.6 | 30.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 443 | K | 43.7 | Very low | 42.2 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -135.6 | 31.3 | -171.6 | -94.4 | -165.9 | 177.7 | -177.8 | 0 | 116.7 | I441 | I441-K443 PolarHBondContact O-N 3.04Š|
| 444 | Q | 35.6 | Very low | 41.2 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -142.5 | 168.1 | 164.1 | -74.5 | -155.2 | 14.7 | 0 | 0 | 113.5 | | |
| 445 | Q | 35.7 | Very low | 41.1 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | 74.7 | 93.4 | 169.8 | -53.4 | -173.7 | 5.5 | 0 | 0 | 118.3 | | |
| 446 | K | 37.4 | Very low | 40.5 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | | | | -170 | 117.6 | 110.4 | -100.8 | 166.9 | -174.9 | 178 | 0 | 110.8 | | |
| 447 | S | 31.5 | Very low | 40 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -145.7 | 91 | 174.6 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 448 | V | 40.6 | Very low | 39.4 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | trans | -149.9 | 127.6 | -176.4 | 171.7 | 0 | 0 | 0 | 0 | 106.2 | | |
| 449 | Y | 37.9 | Very low | 39.3 | Very low | 216 Ų | 216 | 147.3 Ų | 147.3 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | cis | -142.5 | -164.5 | -1.7 | -150.1 | -125.2 | 0 | 0 | 0 | 111.5 | | |
| 450 | S | 33.5 | Very low | 38.7 | Very low | 84 Ų | 84 | 145.7 Ų | 145.7 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | | | trans | -112.9 | 149.6 | -172.2 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 451 | Q | 38.2 | Very low | 39.2 | Very low | 201 Ų | 201 | 142 Ų | 142 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | | | trans | -158.2 | 158.5 | 130.7 | -130.3 | 171.7 | 3.1 | 0 | 0 | 111.7 | | |
| 452 | S | 31.5 | Very low | 38.9 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -146.9 | 148.6 | -176.9 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 453 | T | 43.4 | Very low | 38.8 | Very low | 151 Ų | 151 | 145 Ų | 145 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | | | trans | -142.8 | 157.5 | 160 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 454 | N | 32.2 | Very low | 38.7 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -157.2 | -179 | -170.3 | -153.7 | 15.4 | 0 | 0 | 0 | 104.8 | | |
| 455 | P | 45.2 | Very low | 38.8 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 60% | 0.597 | 77% | 0.774 | S | S | * | * | | | cis | -129.2 | -171.3 | -21 | 19.4 | 6.4 | 0 | 0 | 0 | 113.3 | | |
| 456 | Q | 39.7 | Very low | 39 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | 120.7 | 144.7 | 135.3 | -65.8 | -151.5 | -8.6 | 0 | 0 | 120.1 | | |
| 457 | N | 37 | Very low | 38.9 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | 74.4 | 140.4 | 156.9 | -65.3 | -19.8 | 0 | 0 | 0 | 121.1 | | |
| 458 | S | 39.4 | Very low | 39.5 | Very low | 85 Ų | 85 | 139 Ų | 139 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | | | cis | -166.6 | 162.6 | -24.2 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 459 | H | 42.4 | Very low | 39.4 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 66.4 | 132 | 159.5 | -60.7 | -61.1 | 0 | 0 | 0 | 123.2 | | |
| 460 | S | 34.5 | Very low | 39.6 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -126.7 | -161.3 | 155.8 | 60.3 | 0 | 0 | 0 | 0 | 106 | | |
| 461 | P | 53.7 | Low | 39.8 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 57% | 0.571 | 79% | 0.79 | S | S | * | * | | | cis | -136.7 | -143.2 | -5.3 | 42.7 | -22.2 | 0 | 0 | 0 | 113.3 | | |
| 462 | F | 41.8 | Very low | 39.8 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | 83 | 139.2 | 174.6 | -49.1 | -69.3 | 0 | 0 | 0 | 116.9 | | |
| 463 | G | 39.8 | Very low | 40.3 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | cis | -174.1 | 147.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 464 | L | 41.1 | Very low | 40 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 49.4 | 117.1 | 136.5 | -59.3 | 171.9 | 0 | 0 | 0 | 124.1 | | |
| 465 | V | 38 | Very low | 40.4 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | | 59.9 | 120.3 | 123.5 | -176.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 466 | S | 39.6 | Very low | 39.7 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | | -171.8 | 139.7 | 116.8 | -80.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 467 | N | 36.3 | Very low | 40.5 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -95.6 | 152.3 | 163.4 | -69.3 | -41.6 | 0 | 0 | 0 | 109.2 | | |
| 468 | F | 43.3 | Very low | 40.5 | Very low | 205 Ų | 205 | 125.1 Ų | 125.1 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | | | trans | -141 | 136 | 156 | -106.9 | -82 | 0 | 0 | 0 | 112.1 | | |
| 469 | M | 39.7 | Very low | 40.7 | Very low | 186 Ų | 186 | 128.7 Ų | 128.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | | | trans | -86.9 | 144.7 | 171.8 | -71.5 | 157.6 | 50.2 | 0 | 0 | 110 | | |
| 470 | G | 41.7 | Very low | 40.5 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | trans | -149.5 | 107.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 471 | A | 36.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | | | trans | -118.3 | 122.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 472 | A | 39.7 | Very low | 40.3 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -154.3 | 103 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 473 | T | 41 | Very low | 40.4 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | 5.8 | 134.6 | 135.6 | 54.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 474 | S | 36.9 | Very low | 40.5 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | | 163.1 | 164.1 | 98.9 | -163 | 0 | 0 | 0 | 0 | 113.1 | | |
| 475 | A | 41.7 | Very low | 41.1 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | trans | 54 | 114.1 | 159 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 476 | G | 30.1 | Very low | 41.5 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -122.7 | 156.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 477 | P | 55.6 | Low | 42.2 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -117.3 | 135 | 167.6 | 35.8 | -24.9 | 0 | 0 | 0 | 112.6 | | |
| 478 | C | 38.5 | Very low | 42.9 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 86% | 0.858 | 81% | 0.806 | S | S | * | * | | | trans | -90.6 | 133.5 | 161.6 | -58.4 | 0 | 0 | 0 | 0 | 109 | | |
| 479 | I | 42.4 | Very low | 43.1 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | | | trans | -155.1 | 113.6 | 159.3 | -103.7 | 143.9 | 0 | 0 | 0 | 112.2 | | |
| 480 | S | 39.4 | Very low | 43.2 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | 23.3 | 127.1 | 137.4 | -50.7 | 0 | 0 | 0 | 0 | 124 | | |
| 481 | R | 37.9 | Very low | 43.5 | Very low | 233 Ų | 233 | 128.2 Ų | 128.2 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | 75.7 | 164.1 | 131.5 | -77.4 | -179 | 164.8 | -179.2 | -5.5 | 120.6 | | |
| 482 | L | 44.3 | Very low | 44 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | trans | 77.1 | 139.7 | -179.8 | -48.6 | 175.2 | 0 | 0 | 0 | 113.2 | | |
| 483 | Q | 45.2 | Very low | 44.2 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | cis | -156.2 | 163.2 | -6.2 | -123 | 158.9 | -35.6 | 0 | 0 | 109.8 | | |
| 484 | N | 41.1 | Very low | 44.2 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -79.1 | 174.8 | 174.4 | -65.7 | -7.4 | 0 | 0 | 0 | 111.8 | | |
| 485 | P | 54 | Low | 44.6 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | | | | -140 | 148.6 | 94.1 | 28.8 | -10.4 | 0 | 0 | 0 | 116.8 | | |
| 486 | D | 47.7 | Very low | 44.5 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | 43 | 124.5 | 136.6 | -41 | -30.3 | 0 | 0 | 0 | 120.7 | | |
| 487 | A | 54 | Low | 44.8 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | cis | 85.4 | 160.7 | 28.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 488 | P | 51.2 | Low | 44.1 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | -136.6 | -155.9 | -20.3 | 26.6 | -0.9 | 0 | 0 | 0 | 113.8 | | |
| 489 | L | 45.7 | Very low | 44.2 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | 89.1 | 137.5 | 158.4 | -50.4 | 179.7 | 0 | 0 | 0 | 118.7 | | |
| 490 | D | 42.4 | Very low | 44.1 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | cis | -160.6 | 136.4 | -27.5 | -123.3 | 9 | 0 | 0 | 0 | 113.3 | | |
| 491 | V | 49 | Very low | 44.1 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | 59.7 | 146.2 | 134.9 | 171.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 492 | P | 46.2 | Very low | 44 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -123.3 | -179.8 | -160.2 | 44.2 | -29.4 | 0 | 0 | 0 | 116 | | |
| 493 | C | 44 | Very low | 43.7 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 175.7 | 130 | 138.6 | -92.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 494 | D | 41.1 | Very low | 43.6 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | | 94.7 | 149 | 51.4 | -159.3 | 13.1 | 0 | 0 | 0 | 112.6 | | |
| 495 | V | 46.4 | Very low | 43.7 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | | | trans | 82.8 | 109.7 | 176.3 | -169.1 | 0 | 0 | 0 | 0 | 120 | | |
| 496 | D | 39.5 | Very low | 43.5 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | 67.1 | 143.8 | 144.3 | -63.5 | -17 | 0 | 0 | 0 | 127.1 | | |
| 497 | L | 35 | Very low | 43.3 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -81.1 | 159.6 | 171.5 | -110.6 | 74 | 0 | 0 | 0 | 111.5 | | |
| 498 | P | 42 | Very low | 42.5 | Very low | 131 Ų | 131 | 145 Ų | 145 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | | -150.4 | -156.4 | 76.8 | 41.5 | -20.4 | 0 | 0 | 0 | 115.7 | | |
| 499 | S | 39.5 | Very low | 42.2 | Very low | 84 Ų | 84 | 143 Ų | 143 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | | | trans | -106.9 | 175.7 | -153.8 | 51.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 500 | H | 41.7 | Very low | 42.2 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | 82.4 | 142.7 | 167.4 | -52.3 | -78.1 | 0 | 0 | 0 | 118.3 | | |
| 501 | G | 37.8 | Very low | 42.2 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | 135.4 | 72.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 502 | S | 36.7 | Very low | 42 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -5.4 | 128.9 | 151.2 | -52.7 | 0 | 0 | 0 | 0 | 119 | | |
| 503 | L | 38.5 | Very low | 41.9 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | | | trans | -150.7 | 111.3 | 143.8 | -118.1 | 166.7 | 0 | 0 | 0 | 112.6 | | |
| 504 | R | 41.3 | Very low | 42 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -95.3 | 123.4 | 160.6 | -78.1 | 177.3 | 168.3 | -119.2 | 3.6 | 108.1 | | |
| 505 | Q | 44.1 | Very low | 42.1 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -178.3 | 114.4 | 154.3 | -110.9 | 162.8 | 83.4 | 0 | 0 | 111.5 | | |
| 506 | L | 49.5 | Very low | 42.3 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | | 177.4 | 112.9 | 121.1 | -121.1 | 68.6 | 0 | 0 | 0 | 111.2 | | |
| 507 | W | 44.3 | Very low | 42.7 | Very low | 254 Ų | 254 | 144.4 Ų | 144.4 | 96% | 0.962 | 80% | 0.795 | S | S | * | * | | | | -163 | 127.8 | 125.1 | -127.6 | -69.9 | 0 | 0 | 0 | 107.8 | | |
| 508 | N | 37.6 | Very low | 42.8 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -125.5 | 141.6 | -176.3 | -95.3 | -24.7 | 0 | 0 | 0 | 110.3 | | |
| 509 | G | 44.4 | Very low | 43 | Very low | 65 Ų | 65 | 141.5 Ų | 141.5 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | 140.3 | 144.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 510 | T | 45.4 | Very low | 43.1 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | | | cis | -160.5 | 127.6 | -8 | -41.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 511 | R | 41.7 | Very low | 43.1 | Very low | 218 Ų | 218 | 145.6 Ų | 145.6 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | | | trans | 61.8 | 162.1 | 158.7 | -77.8 | 174.5 | -162.2 | 160.9 | 4.3 | 116.8 | | |
| 512 | D | 44.5 | Very low | 43.3 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | cis | -140 | 155.9 | 1 | -107.8 | -36.1 | 0 | 0 | 0 | 114.1 | | |
| 513 | V | 45.8 | Very low | 43.4 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -16.6 | 128.2 | 156.4 | -176 | 0 | 0 | 0 | 0 | 119.7 | | |
| 514 | A | 46.2 | Very low | 43.7 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -164.2 | 156.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 515 | A | 43.4 | Very low | 43.7 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | -150.7 | 160.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 516 | H | 50.4 | Low | 43.6 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | 72.1 | 162.4 | 171 | -49.9 | -72.3 | 0 | 0 | 0 | 117.1 | | |
| 517 | P | 46.2 | Very low | 43.5 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | | -135.6 | 172.3 | -51.2 | 38.9 | -24.9 | 0 | 0 | 0 | 113.6 | | |
| 518 | S | 38 | Very low | 43.6 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -70.9 | 153.4 | 171.3 | -42.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 519 | P | 46.8 | Very low | 44 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | trans | -130.3 | 129.9 | 152.9 | 35.5 | -22.5 | 0 | 0 | 0 | 115.4 | | |
| 520 | Q | 42.1 | Very low | 44.1 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | 72 | 139.2 | 138.7 | -61.1 | -174.5 | 8 | 0 | 0 | 122.8 | | |
| 521 | L | 40.4 | Very low | 43.9 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -84.8 | 148 | 175.3 | -60.1 | 152.1 | 0 | 0 | 0 | 111.1 | | |
| 522 | Q | 43.3 | Very low | 43.9 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | trans | -145 | 119.7 | 144.5 | -76.3 | -159.8 | -0.2 | 0 | 0 | 111.3 | | |
| 523 | P | 38.9 | Very low | 43.7 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | trans | -105 | 115.8 | 159.8 | 33.5 | -23.5 | 0 | 0 | 0 | 110.2 | | |
| 524 | L | 44.4 | Very low | 43.6 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | -121.1 | 101.7 | 171.3 | -99 | 165.2 | 0 | 0 | 0 | 109.2 | | |
| 525 | G | 40.8 | Very low | 43.3 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | -100.3 | 155.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 526 | L | 42.5 | Very low | 43.3 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | | | trans | -142.6 | 148 | 161.4 | -99.5 | 172 | 0 | 0 | 0 | 109.3 | | |
| 527 | Y | 45.8 | Very low | 43 | Very low | 218 Ų | 218 | 151.4 Ų | 151.4 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -78.2 | 158 | -175.7 | -107.9 | -120 | 0 | 0 | 0 | 112.5 | | |
| 528 | P | 46.7 | Very low | 42.8 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -71.7 | 142.8 | 165.2 | 32.1 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 529 | D | 47.5 | Very low | 43.4 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -112.2 | 149 | 173 | -168.3 | 16.1 | 0 | 0 | 0 | 110.8 | | |
| 530 | V | 44.9 | Very low | 43.2 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | | | trans | -138.8 | 135.4 | -168.3 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 531 | S | 41.9 | Very low | 43.4 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | | | trans | 83 | 114.8 | 174.1 | -36.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 532 | R | 41.8 | Very low | 43.6 | Very low | 249 Ų | 249 | 144.8 Ų | 144.8 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | | | trans | -140.4 | 134.2 | 145.6 | -105.2 | -176.6 | -170 | -149.1 | 1 | 111.5 | | |
| 533 | F | 41 | Very low | 43.7 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | | | trans | -86.6 | 139.3 | 177.5 | -71.7 | -104.9 | 0 | 0 | 0 | 111.6 | | |
| 534 | Q | 43.9 | Very low | 44.1 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -180 | 113.5 | 143.7 | -99.1 | 148.3 | 91.9 | 0 | 0 | 106.3 | | |
| 535 | T | 38.3 | Very low | 43.9 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | | 68.5 | 95.6 | 50.1 | -50.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 536 | I | 44.7 | Very low | 44.1 | Very low | 151 Ų | 151 | 150 Ų | 150 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | | | trans | -163.5 | 120.5 | 147 | -105.9 | 151.9 | 0 | 0 | 0 | 112.2 | | |
| 537 | K | 44.2 | Very low | 44.1 | Very low | 193 Ų | 193 | 147 Ų | 147 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | 59.5 | 112.5 | 147.9 | -58 | 176.9 | -176.1 | 177.1 | 0 | 122 | | |
| 538 | T | 41.3 | Very low | 44.1 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -66.9 | -176.4 | 150 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 539 | P | 49.7 | Very low | 44 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | cis | -124.2 | -162.5 | 3 | 47.1 | -31.9 | 0 | 0 | 0 | 112.1 | | |
| 540 | D | 43.7 | Very low | 44.2 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | cis | -158 | 176.6 | -2 | -134.3 | -27.4 | 0 | 0 | 0 | 106.8 | | |
| 541 | S | 46.1 | Very low | 44.6 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | cis | -155.2 | -178.3 | -4 | 72.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 542 | G | 43.4 | Very low | 44.8 | Very low | 61 Ų | 61 | 151.1 Ų | 151.1 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | | | cis | 172.7 | 149.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 543 | L | 45.9 | Very low | 45 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | 51.8 | 118 | 164.2 | -58.1 | -178.2 | 0 | 0 | 0 | 121.9 | | |
| 544 | L | 47.2 | Very low | 45.1 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | 55.3 | 138.7 | 133.8 | -52.5 | 171.9 | 0 | 0 | 0 | 120.2 | | |
| 545 | G | 41.2 | Very low | 45.2 | Very low | 65 Ų | 65 | 141.7 Ų | 141.7 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | cis | 141.1 | 138.3 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 546 | R | 45.5 | Very low | 45.5 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | | | trans | 86 | 135.6 | -178.8 | -54.6 | 178.7 | 176.5 | -163.7 | -1.7 | 117.2 | | |
| 547 | P | 42.2 | Very low | 45.5 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -94.4 | -169.7 | 162.3 | 38.2 | -32.3 | 0 | 0 | 0 | 112 | | |
| 548 | I | 45.4 | Very low | 45.4 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | 85.6 | 101.9 | 174.2 | -49.1 | 160.2 | 0 | 0 | 0 | 115.7 | | |
| 549 | V | 45.3 | Very low | 45.7 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -144.7 | 134.9 | 134.6 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 550 | K | 51.5 | Low | 45.4 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -110.1 | 138.8 | 154.7 | -94.5 | -173.5 | 173.9 | -178.6 | 0 | 107.6 | | |
| 551 | A | 53.2 | Low | 45.4 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -70.5 | 158.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 552 | Q | 44.4 | Very low | 45.3 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -102 | -165.6 | -174.3 | -58.4 | 174 | -85.2 | 0 | 0 | 112.5 | | |
| 553 | Q | 47 | Very low | 45.3 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | 81.3 | 136.9 | 172.3 | -59.6 | -175.2 | -14 | 0 | 0 | 114.1 | | |
| 554 | N | 43.6 | Very low | 45.1 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | | | cis | -161.9 | 164.5 | 4 | -106.5 | -5.7 | 0 | 0 | 0 | 108.9 | | |
| 555 | V | 46.5 | Very low | 44.9 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | cis | -171.8 | 169.5 | -23.6 | 110.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 556 | L | 44.3 | Very low | 45.2 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | 67.2 | 163.9 | 180 | -65.5 | 156.6 | 0 | 0 | 0 | 116 | | |
| 557 | S | 43.3 | Very low | 44.9 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | cis | 178.6 | 154 | -44.8 | 58.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 558 | S | 43.9 | Very low | 44.7 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | cis | -172 | 158.5 | -20.6 | -82.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 559 | Y | 46.7 | Very low | 44.3 | Very low | 220 Ų | 220 | 137.1 Ų | 137.1 | 86% | 0.863 | 76% | 0.761 | S | S | * | * | | | trans | 68.2 | 147.2 | -178.9 | -55.3 | -80.7 | 0 | 0 | 0 | 114.7 | | |
| 560 | N | 42.8 | Very low | 44.2 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | cis | -147.9 | 164.9 | 27.5 | -138.1 | 1.6 | 0 | 0 | 0 | 114 | | |
| 561 | S | 44.7 | Very low | 43.8 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | -80.6 | 171 | 167.7 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 562 | N | 43.1 | Very low | 43.3 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | cis | -147.8 | -152 | 4.4 | -137.3 | 22.1 | 0 | 0 | 0 | 109.7 | | |
| 563 | E | 43.4 | Very low | 43.2 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | cis | -150.6 | -100.7 | 11.8 | -161.6 | 128.3 | -87.2 | 0 | 0 | 115.2 | | |
| 564 | Q | 43.1 | Very low | 43 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | -153.3 | 168 | -162.9 | -70.5 | 173.7 | 13 | 0 | 0 | 108.8 | | |
| 565 | A | 41.2 | Very low | 42.9 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | | | cis | -166.2 | 168 | -18.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 566 | P | 48.4 | Very low | 42.9 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | | | trans | -105.8 | 164.7 | -177.6 | 39.3 | -34.3 | 0 | 0 | 0 | 115.2 | | |
| 567 | N | 39.1 | Very low | 42.8 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | | | trans | 167.7 | 166.9 | 136.8 | -88.3 | -29.8 | 0 | 0 | 0 | 116.4 | | |
| 568 | S | 38.5 | Very low | 42.8 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | trans | 73.6 | 134.8 | 176 | 75.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 569 | T | 35.8 | Very low | 42.8 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | | | cis | 102.8 | 90.4 | 3.6 | -46.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 570 | F | 44 | Very low | 42.6 | Very low | 195 Ų | 195 | 130.4 Ų | 130.4 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | trans | -157.1 | 162.3 | 157.5 | -79.6 | -86.3 | 0 | 0 | 0 | 109.1 | | |
| 571 | F | 42.7 | Very low | 42.4 | Very low | 160 Ų | 160 | 128 Ų | 128 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | | | cis | -177.3 | 125.2 | -44.2 | -127.5 | -73.6 | 0 | 0 | 0 | 108.2 | | |
| 572 | T | 42.5 | Very low | 42.2 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | | | trans | 60.8 | 169.1 | 160 | 44 | 0 | 0 | 0 | 0 | 118.9 | | |
| 573 | N | 41.8 | Very low | 42 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | | | cis | -157.7 | 158.4 | 2.3 | -131.7 | -19.3 | 0 | 0 | 0 | 113.8 | | |
| 574 | Q | 44.5 | Very low | 42.2 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 60 | 156.3 | 154.5 | -63.8 | 167.3 | 49.1 | 0 | 0 | 119.9 | | |
| 575 | G | 40.8 | Very low | 42 | Very low | 61 Ų | 61 | 132.2 Ų | 132.2 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | | | cis | 171.2 | 157.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 576 | H | 47.2 | Very low | 42.3 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | | | trans | 65.4 | 149.4 | 169.1 | -47.8 | -88 | 0 | 0 | 0 | 119.1 | | |
| 577 | G | 41.5 | Very low | 41.9 | Very low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | | | cis | 164.4 | 136.6 | -16.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 578 | S | 42.7 | Very low | 42.2 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | trans | 63.4 | 165.2 | 162.5 | 69.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 579 | V | 44.6 | Very low | 42.5 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | | | cis | -149.9 | 161.6 | 2.1 | -130.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 580 | N | 41.5 | Very low | 42.8 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | 27.5 | 157.8 | 137.2 | -65.8 | 4.8 | 0 | 0 | 0 | 123.4 | | |
| 581 | S | 38.6 | Very low | 43 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | cis | -179.4 | -177.2 | -16.7 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 582 | S | 40.8 | Very low | 42.9 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | 76.7 | 135.1 | 173.5 | 71.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 583 | L | 40.3 | Very low | 43.1 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | cis | 92.5 | 107.5 | 37.3 | -99.9 | 166.5 | 0 | 0 | 0 | 114.6 | | |
| 584 | Y | 46.6 | Very low | 43.3 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | | | trans | -153.3 | 154.6 | 144 | -119.1 | -81.6 | 0 | 0 | 0 | 110 | | |
| 585 | Q | 39.7 | Very low | 43.3 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | -114 | 146.2 | -178.6 | -61.4 | 168.9 | -81 | 0 | 0 | 110.2 | | |
| 586 | D | 45.7 | Very low | 43.3 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | | 177 | 164.8 | 121.6 | -93.4 | -23.9 | 0 | 0 | 0 | 111.2 | | |
| 587 | S | 41.9 | Very low | 43 | Very low | 91 Ų | 91 | 147.1 Ų | 147.1 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | cis | 158.6 | 80.1 | -29.9 | -83.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 588 | S | 45.4 | Very low | 43.1 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -158.7 | 108.8 | 164.5 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 589 | H | 44.2 | Very low | 43 | Very low | 177 Ų | 177 | 156.2 Ų | 156.2 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | | | trans | 16 | 154.4 | 139.2 | -41.6 | -63.5 | 0 | 0 | 0 | 121.7 | | |
| 590 | L | 42.4 | Very low | 42.8 | Very low | 146 Ų | 146 | 158.3 Ų | 158.3 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | cis | -176.6 | 167.3 | -27.1 | -161 | 76.3 | 0 | 0 | 0 | 106.2 | | |
| 591 | L | 47.8 | Very low | 42.8 | Very low | 155 Ų | 155 | 155 Ų | 155 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | 71.4 | 149.2 | 169.9 | -50.1 | 175 | 0 | 0 | 0 | 116.7 | | |
| 592 | D | 40.1 | Very low | 42.9 | Very low | 123 Ų | 123 | 157 Ų | 157 | 66% | 0.658 | 79% | 0.793 | S | S | * | * | | | cis | -158.4 | 136.7 | -33.9 | -177.3 | 16.3 | 0 | 0 | 0 | 108.2 | | |
| 593 | R | 47.2 | Very low | 43 | Very low | 247 Ų | 247 | 157.7 Ų | 157.7 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | | | trans | -167.5 | 89.7 | 160.2 | -123 | 173.3 | 179.5 | 163.7 | 1.1 | 112.4 | | |
| 594 | N | 45 | Very low | 42.9 | Very low | 142 Ų | 142 | 159.9 Ų | 159.9 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | | | trans | -79.4 | -177.3 | 170.2 | -99.2 | -70.4 | 0 | 0 | 0 | 113.4 | | |
| 595 | M | 44.6 | Very low | 42.5 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | 79.1 | 81.2 | 174.4 | -62.4 | -62.4 | 176.8 | 0 | 0 | 117.7 | | |
| 596 | K | 40.6 | Very low | 42.4 | Very low | 210 Ų | 210 | 153.1 Ų | 153.1 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | | | trans | -158 | 83.2 | 151.2 | -138 | -176.3 | -171.1 | -173.6 | 0 | 113.1 | | |
| 597 | Q | 42.3 | Very low | 42.2 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | -152.5 | 173.1 | 167.4 | -82.6 | -149.5 | -2.2 | 0 | 0 | 111.1 | | |
| 598 | F | 42.7 | Very low | 42.1 | Very low | 167 Ų | 167 | 155 Ų | 155 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 71.8 | 124.9 | -175.5 | -54.2 | -70.3 | 0 | 0 | 0 | 114.5 | | |
| 599 | Y | 40.6 | Very low | 41.7 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | cis | -132.1 | 146.5 | -5.1 | -103.8 | -81.6 | 0 | 0 | 0 | 110.5 | | |
| 600 | L | 41.5 | Very low | 41.4 | Very low | 161 Ų | 161 | 155.9 Ų | 155.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -91.2 | 140.2 | 154.9 | -91.2 | 77.3 | 0 | 0 | 0 | 108.6 | | |
| 601 | G | 41.2 | Very low | 41 | Very low | 78 Ų | 78 | 153.6 Ų | 153.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -150.8 | 102.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 602 | N | 40.9 | Very low | 40.7 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | | | trans | -77 | 144 | 176.5 | -59.5 | -16.9 | 0 | 0 | 0 | 109.7 | | |
| 603 | T | 41.7 | Very low | 40.6 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | | -175.9 | 130.2 | 106.6 | 34.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 604 | E | 39.4 | Very low | 40.2 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | 59.3 | 130.3 | 141.2 | -57.5 | -171.9 | 157 | 0 | 0 | 121.5 | | |
| 605 | S | 36.3 | Very low | 40 | Very low | 122 Ų | 122 | 153 Ų | 153 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -104.3 | 133.7 | 179.4 | 55 | 0 | 0 | 0 | 0 | 111.8 | | |
| 606 | S | 39.6 | Very low | 39.6 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -127.1 | 141.8 | 166.7 | 62.8 | 0 | 0 | 0 | 0 | 112 | | |
| 607 | N | 40.1 | Very low | 39.6 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | -81.9 | 154.8 | -163 | -101.7 | -51.4 | 0 | 0 | 0 | 115.2 | | |
| 608 | L | 40.9 | Very low | 39.5 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | | | trans | 70.8 | 129.5 | 144.6 | -68.4 | 163.3 | 0 | 0 | 0 | 121.1 | | |
| 609 | N | 36.1 | Very low | 39.6 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | | | trans | 54.8 | 112 | 141.2 | -58.6 | -6.4 | 0 | 0 | 0 | 119.8 | | |
| 610 | N | 37.9 | Very low | 39.7 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | | | trans | -153.2 | 156.7 | 130.4 | -111.4 | -36.7 | 0 | 0 | 0 | 112.9 | | |
| 611 | S | 34.7 | Very low | 39.5 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | -112.3 | 127.3 | -171.1 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 612 | H | 41.1 | Very low | 39.7 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | | | trans | -148.2 | 145.4 | 161.2 | -75 | -79.6 | 0 | 0 | 0 | 109.2 | | |
| 613 | G | 38.1 | Very low | 39.7 | Very low | 67 Ų | 67 | 144.5 Ų | 144.5 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | cis | -173.3 | 143.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 614 | F | 38.9 | Very low | 39.7 | Very low | 213 Ų | 213 | 146 Ų | 146 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | | | trans | -78 | 124 | 175 | -86.8 | -95.8 | 0 | 0 | 0 | 110.8 | | |
| 615 | L | 39.8 | Very low | 39.7 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 94% | 0.942 | 82% | 0.816 | S | S | * | * | | | trans | -90.8 | 96.7 | 164.3 | -74.3 | 173.3 | 0 | 0 | 0 | 109.7 | | |
| 616 | S | 36.8 | Very low | 40 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -100.6 | 108.3 | 169.1 | -171.6 | 0 | 0 | 0 | 0 | 109 | | |
| 617 | C | 41.6 | Very low | 40 | Very low | 130 Ų | 130 | 145 Ų | 145 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | | | trans | -89.9 | 116.6 | -178.1 | -163.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 618 | S | 39.2 | Very low | 40.2 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -80.3 | 151.7 | 177.4 | 62 | 0 | 0 | 0 | 0 | 111.8 | | |
| 619 | K | 45 | Very low | 40 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | | | trans | -126.2 | 143.3 | 155.3 | -91.5 | -175.2 | 173.1 | 178.2 | 0 | 109.3 | | |
| 620 | Q | 42.8 | Very low | 40.2 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | | | trans | -86.6 | 159.2 | -160.9 | -68.1 | 162.9 | -46.9 | 0 | 0 | 113 | | |
| 621 | S | 36.9 | Very low | 40.3 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -92.4 | 113.5 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 622 | Y | 45.1 | Very low | 40.2 | Very low | 218 Ų | 218 | 147.6 Ų | 147.6 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | | | trans | -150.6 | 146.6 | 158.3 | -68 | -80.1 | 0 | 0 | 0 | 106.6 | | |
| 623 | G | 41.2 | Very low | 40.3 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | cis | -162.1 | 163.9 | -3.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 624 | N | 42 | Very low | 40 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | | | trans | -74.2 | 153.4 | -167.9 | -83.6 | -33.2 | 0 | 0 | 0 | 116 | | |
| 625 | L | 39.1 | Very low | 40 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | 55.7 | 112.6 | 142.9 | -65.5 | 164.8 | 0 | 0 | 0 | 119.9 | | |
| 626 | L | 43.9 | Very low | 39.7 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | | 178.9 | 143.9 | 105.2 | -94.7 | 165.4 | 0 | 0 | 0 | 111.3 | | |
| 627 | P | 39.4 | Very low | 39.7 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | | | trans | -95 | 149.2 | 173.6 | 36.3 | -30.8 | 0 | 0 | 0 | 112.1 | | |
| 628 | F | 43.1 | Very low | 39.3 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | | | trans | -122.3 | 137.8 | 166.2 | -104.6 | -85.4 | 0 | 0 | 0 | 112 | | |
| 629 | Q | 38.1 | Very low | 39.5 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | | | trans | -100.2 | 133.4 | 178.2 | -63.4 | 175 | -12.5 | 0 | 0 | 110.4 | | |
| 630 | S | 40.4 | Very low | 39.1 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -164.6 | 92 | 155.3 | 55.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 631 | S | 38.3 | Very low | 38.9 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | | 71.8 | 90.5 | 82.6 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 632 | S | 33.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -62.4 | 160.2 | 163.2 | -39.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 633 | P | 42 | Very low | 38.8 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | | -138.1 | 161 | 110.9 | 37.4 | -27.4 | 0 | 0 | 0 | 114.9 | | |
| 634 | S | 33.2 | Very low | 38.6 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | -71.1 | 138 | 173.1 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 635 | L | 38.2 | Very low | 38.4 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -137.5 | 96.8 | 151.6 | -76 | -179.3 | 0 | 0 | 0 | 110 | | |
| 636 | A | 33.1 | Very low | 38.3 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | | | trans | -95.7 | 110.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 637 | S | 38.2 | Very low | 38.2 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | trans | -106.1 | 110.4 | 178.3 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 638 | S | 33 | Very low | 38.3 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | trans | -62.7 | 133.1 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 112 | | |
| 639 | I | 41.8 | Very low | 38.2 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -113.3 | 118.6 | 162.1 | -63.7 | -179 | 0 | 0 | 0 | 108.1 | | |
| 640 | T | 37.4 | Very low | 38.3 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | | | trans | -85.7 | 123.9 | -178.2 | 36.2 | 0 | 0 | 0 | 0 | 111.2 | N642 | T640-N642 PolarHBondContact O-N 3.34Š|
| 641 | W | 39.7 | Very low | 38.2 | Very low | 241 Ų | 241 | 142.1 Ų | 142.1 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | -85 | 110.4 | 168.3 | -79.7 | 4.6 | 0 | 0 | 0 | 110.6 | | |
| 642 | N | 40.1 | Very low | 38.2 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | | | trans | -76.1 | 155 | 175.7 | -164.3 | 12 | 0 | 0 | 0 | 111.3 | T640 | T640-N642 PolarHBondContact O-N 3.34Š|
| 643 | K | 38.4 | Very low | 38.8 | Very low | 169 Ų | 169 | 146 Ų | 146 | 74% | 0.735 | 82% | 0.819 | S | S | * | * | | | trans | -111.3 | 169.7 | -179.9 | -65.2 | -178 | 178.3 | 177.8 | 0 | 111.4 | | |
| 644 | N | 38 | Very low | 38.8 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | | | trans | 92 | 84.8 | 160.8 | -49.2 | -22.6 | 0 | 0 | 0 | 118.4 | | |
| 645 | S | 37.8 | Very low | 38.8 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | | | | -168.1 | 118.8 | 125.4 | -85.2 | 0 | 0 | 0 | 0 | 108 | | |
| 646 | S | 37 | Very low | 38.7 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | | | cis | 75.8 | 66.8 | 45.3 | -166.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 647 | A | 41.7 | Very low | 39.1 | Very low | 103 Ų | 103 | 153 Ų | 153 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -135.5 | 116.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 648 | Q | 40.6 | Very low | 39.4 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | | | trans | -80.9 | 141.7 | 167.4 | -66.4 | 177.1 | -31.9 | 0 | 0 | 108.7 | | |
| 649 | H | 42.3 | Very low | 40.1 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 91% | 0.912 | 82% | 0.824 | S | S | * | * | | | trans | -150.1 | 147.7 | 132.9 | -104.2 | -73.2 | 0 | 0 | 0 | 109.5 | | |
| 650 | Q | 38.4 | Very low | 40.5 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -101.3 | 130 | -172.7 | -55.1 | 175.1 | 23.9 | 0 | 0 | 110.7 | | |
| 651 | T | 38.8 | Very low | 41.4 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -144.8 | 127.6 | 148 | -27.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 652 | K | 38.7 | Very low | 42.1 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -93.8 | 179.9 | 170.2 | -67.9 | 177.2 | 177.5 | 175.4 | 0 | 109.3 | | |
| 653 | V | 45.4 | Very low | 43.2 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | 111.4 | 118.6 | 153.1 | -178 | 0 | 0 | 0 | 0 | 115.4 | | |
| 654 | N | 42.1 | Very low | 44.7 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | 69.1 | 77.5 | 157.9 | -61.8 | -3.7 | 0 | 0 | 0 | 121.1 | | |
| 655 | E | 33.4 | Very low | 46.5 | Very low | 197 Ų | 197 | 130.5 Ų | 130.5 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | | | trans | -77.8 | 124 | 131.3 | -67.2 | 176.5 | 105.9 | 0 | 0 | 108.8 | | |
| 656 | S | 35.7 | Very low | 48.3 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | trans | 171.5 | 30.6 | 158.3 | 40.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 657 | Q | 42.3 | Very low | 50.3 | Low | 196 Ų | 196 | 127.3 Ų | 127.3 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | | | trans | -148.5 | 76 | -179.5 | -129 | 173.5 | 8 | 0 | 0 | 114.7 | | |
| 658 | A | 44 | Very low | 52.1 | Low | 103 Ų | 103 | 128.2 Ų | 128.2 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | | | trans | -143.2 | -16.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | N660 | A658-N660 PolarHBondContact O-N 3.06Š|
| 659 | S | 47.5 | Very low | 54.1 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -5.6 | -166.9 | 52.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 660 | N | 51.5 | Low | 56 | Low | 118 Ų | 118 | 119.9 Ų | 119.9 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -7 | -162.1 | -65.3 | 3.5 | 0 | 0 | 0 | 114.7 | A658 T664 | A658-N660 PolarHBondContact O-N 3.06Å; N660-T664 PolarHBondContact O-OG1 3.19Å |
| 661 | G | 55.1 | Low | 58 | Low | 45 Ų | 45 | 117.4 Ų | 117.4 | 46% | 0.464 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -73.8 | -30.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T664 | G661-T664 PolarHBondContact O-OG1 3.09Å |
| 662 | S | 55.8 | Low | 60 | Low | 76 Ų | 76 | 118.6 Ų | 118.6 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.2 | -35.9 | -177.2 | 53.8 | 0 | 0 | 0 | 0 | 113 | L665 L666 | S662-L665 PolarHBondContact O-N 3.44Å; S662-L666 PolarHBondContact O-N 3.47Å; S662-L666 VanDerWaalsContact O-N 3.13Å |
| 663 | L | 62.8 | Low | 61.9 | Low | 122 Ų | 122 | 116 Ų | 116 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.2 | -32.3 | 179.1 | -64.7 | 178.2 | 0 | 0 | 0 | 112.4 | L666 S667 | L663-L666 HydrophobicContact CD2-CD1 4.48Å; L663-S667 WeakPolarHBondContact O-CB 3.3Å; L663-S667 PolarHBondContact O-N 3.21Å |
| 664 | T | 69.4 | Low | 63.3 | Low | 83 Ų | 83 | 117.2 Ų | 117.2 | 51% | 0.509 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.5 | -41.6 | 175.3 | -6.7 | 0 | 0 | 0 | 0 | 111.8 | N660 G661 S667 Q668 | N660-T664 PolarHBondContact O-OG1 3.19Å; G661-T664 PolarHBondContact O-OG1 3.09Å; T664-S667 PolarHBondContact O-N 3.39Å; T664-Q668 WeakPolarHBondContact O-CG 3.38Å; T664-Q668 PolarHBondContact O-N 3.02Å |
| 665 | L | 76.4 | Confident | 64.9 | Low | 109 Ų | 109 | 117.4 Ų | 117.4 | 57% | 0.571 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67 | -41.4 | 177.5 | -67.3 | 169.6 | 0 | 0 | 0 | 111.8 | S662 S667 Q668 L669 | S662-L665 PolarHBondContact O-N 3.44Å; L665-S667 VanDerWaalsContact C-N 3.34Å; L665-S667 PolarHBondContact O-N 3.5Å; L665-Q668 PolarHBondContact O-N 3.24Å; L665-L669 PolarHBondContact O-N 2.84Å |
| 666 | L | 76.4 | Confident | 66.8 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 53% | 0.534 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62 | -41.3 | 172.9 | -73 | 169.4 | 0 | 0 | 0 | 111.9 | S662 L663 Q668 L669 V670 | S662-L666 PolarHBondContact O-N 3.47Å; S662-L666 VanDerWaalsContact O-N 3.13Å; L663-L666 HydrophobicContact CD2-CD1 4.48Å; L666-Q668 VanDerWaalsContact C-N 3.34Å; L666-Q668 PolarHBondContact O-N 3.36Å; L666-L669 PolarHBondContact O-N 3.23Å; L666-V670 WeakPolarHBondContact O-CG2 3.44Å; L666-V670 PolarHBondContact O-N 3.35Å; L666-V670 VanDerWaalsContact O-N 3.09Å |
| 667 | S | 77.2 | Confident | 67.8 | Low | 76 Ų | 76 | 117.3 Ų | 117.3 | 53% | 0.531 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.5 | -40 | 175.3 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | L663 T664 L665 E671 | L663-S667 WeakPolarHBondContact O-CB 3.3Å; L663-S667 PolarHBondContact O-N 3.21Å; T664-S667 PolarHBondContact O-N 3.39Å; L665-S667 VanDerWaalsContact C-N 3.34Å; L665-S667 PolarHBondContact O-N 3.5Å; S667-E671 WeakPolarHBondContact O-CG 3.35Å; S667-E671 PolarHBondContact O-N 2.96Å |
| 668 | Q | 80.3 | Confident | 68.8 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.8 | -39.7 | 177.1 | -74.9 | 177.8 | -16.8 | 0 | 0 | 112.4 | T664 L665 L666 E671 W672 | T664-Q668 WeakPolarHBondContact O-CG 3.38Å; T664-Q668 PolarHBondContact O-N 3.02Å; L665-Q668 PolarHBondContact O-N 3.24Å; L666-Q668 VanDerWaalsContact C-N 3.34Å; L666-Q668 PolarHBondContact O-N 3.36Å; Q668-E671 PolarHBondContact O-N 3.35Å; Q668-W672 PolarHBondContact O-N 3.47Å |
| 669 | L | 81.9 | Confident | 69.5 | Low | 117 Ų | 117 | 114.1 Ų | 114.1 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.3 | -43.8 | 175.5 | -86.1 | 161.8 | 0 | 0 | 0 | 112.3 | L665 L666 E671 W672 E673 | L665-L669 PolarHBondContact O-N 2.84Å; L666-L669 PolarHBondContact O-N 3.23Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.05Å; L669-W672 PolarHBondContact O-N 3.02Å; L669-W672 VanDerWaalsContact O-N 3.16Å; L669-E673 PolarHBondContact O-N 3.47Å |
| 670 | V | 82.9 | Confident | 69.6 | Low | 77 Ų | 77 | 120.7 Ų | 120.7 | 47% | 0.467 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.3 | -31.5 | 178.2 | 170.7 | 0 | 0 | 0 | 0 | 112.5 | L666 K674 | L666-V670 WeakPolarHBondContact O-CG2 3.44Å; L666-V670 PolarHBondContact O-N 3.35Å; L666-V670 VanDerWaalsContact O-N 3.09Å; V670-K674 WeakPolarHBondContact O-CG 3.33Å; V670-K674 PolarHBondContact O-N 3.45Å |
| 671 | E | 81.3 | Confident | 69.8 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.8 | -38 | 171.6 | -61.8 | -130.9 | 125.8 | 0 | 0 | 112 | S667 Q668 L669 E673 K674 L675 | S667-E671 WeakPolarHBondContact O-CG 3.35Å; S667-E671 PolarHBondContact O-N 2.96Å; Q668-E671 PolarHBondContact O-N 3.35Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.05Å; E671-E673 VanDerWaalsContact C-N 3.35Å; E671-E673 PolarHBondContact O-N 3.38Å; E671-K674 PolarHBondContact O-N 3.04Å; E671-L675 WeakPolarHBondContact O-CG 3.42Å; E671-L675 PolarHBondContact O-N 3.45Å; E671-L675 VanDerWaalsContact O-N 3.12Å |
| 672 | W | 79.9 | Confident | 69.3 | Low | 170 Ų | 170 | 125.9 Ų | 125.9 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63 | -37.6 | 175.9 | -120.4 | 71.1 | 0 | 0 | 0 | 113.1 | Q668 L669 L675 | Q668-W672 PolarHBondContact O-N 3.47Å; L669-W672 PolarHBondContact O-N 3.02Å; L669-W672 VanDerWaalsContact O-N 3.16Å; W672-L675 PolarHBondContact O-N 3.15Å |
| 673 | E | 77.9 | Confident | 69.3 | Low | 133 Ų | 133 | 127 Ų | 127 | 62% | 0.621 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.4 | -42.9 | 175.9 | -168.9 | 180 | -176.8 | 0 | 0 | 111.8 | L669 E671 L675 K676 | L669-E673 PolarHBondContact O-N 3.47Å; E671-E673 VanDerWaalsContact C-N 3.35Å; E671-E673 PolarHBondContact O-N 3.38Å; E673-L675 PolarHBondContact O-N 3.1Å; E673-K676 PolarHBondContact O-N 3.36Å; E673-K676 VanDerWaalsContact O-N 3.07Å |
| 674 | K | 75.2 | Confident | 68.4 | Low | 149 Ų | 149 | 126.3 Ų | 126.3 | 65% | 0.648 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -58.1 | -36.5 | 174.4 | -77.9 | 174.9 | 180 | 173 | 0 | 112.7 | V670 E671 K676 | V670-K674 WeakPolarHBondContact O-CG 3.33Å; V670-K674 PolarHBondContact O-N 3.45Å; E671-K674 PolarHBondContact O-N 3.04Å; K674-K676 VanDerWaalsContact C-N 3.25Å; K674-K676 PolarHBondContact O-N 3.45Å |
| 675 | L | 75.2 | Confident | 67.5 | Low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -11.5 | 179.2 | -71.1 | 168.9 | 0 | 0 | 0 | 113.9 | E671 W672 E673 | E671-L675 WeakPolarHBondContact O-CG 3.42Å; E671-L675 PolarHBondContact O-N 3.45Å; E671-L675 VanDerWaalsContact O-N 3.12Å; W672-L675 PolarHBondContact O-N 3.15Å; E673-L675 PolarHBondContact O-N 3.1Å |
| 676 | K | 73.5 | Confident | 66.3 | Low | 149 Ų | 149 | 132.6 Ų | 132.6 | 65% | 0.648 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -8.7 | 179.6 | -82.2 | -172 | 171.9 | -175 | 0 | 115.3 | E673 K674 P678 | E673-K676 PolarHBondContact O-N 3.36Å; E673-K676 VanDerWaalsContact O-N 3.07Å; K674-K676 VanDerWaalsContact C-N 3.25Å; K674-K676 PolarHBondContact O-N 3.45Å; K676-P678 WeakPolarHBondContact O-CD 3.5Å |
| 677 | Q | 56.9 | Low | 64.9 | Low | 152 Ų | 152 | 139.2 Ų | 139.2 | 71% | 0.71 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -84.7 | 119.9 | 178.1 | -65 | -152.6 | 9.3 | 0 | 0 | 111.8 | | |
| 678 | P | 63.6 | Low | 63.9 | Low | 97 Ų | 97 | 141.9 Ų | 141.9 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | | | trans | -69.5 | 148.8 | 175.8 | 29.5 | -34.7 | 0 | 0 | 0 | 111 | K676 R680 | K676-P678 WeakPolarHBondContact O-CD 3.5Å; P678-R680 PolarHBondContact O-N 2.95Å |
| 679 | P | 57.9 | Low | 63.2 | Low | 135 Ų | 135 | 145.4 Ų | 145.4 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | | | trans | -69.1 | 93.4 | -174.8 | 28.2 | -35.5 | 0 | 0 | 0 | 111.7 | S681 | P679-S681 PolarHBondContact O-N 3.26Š|
| 680 | R | 51.5 | Low | 62.5 | Low | 235 Ų | 235 | 144.5 Ų | 144.5 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | | | trans | -71.8 | 107.6 | 174.6 | -76.7 | -173.3 | 168.7 | -179.6 | -2.2 | 110.4 | P678 | P678-R680 PolarHBondContact O-N 2.95Š|
| 681 | S | 54.2 | Low | 62.2 | Low | 109 Ų | 109 | 146.8 Ų | 146.8 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.7 | 172.4 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | P679 P683 | P679-S681 PolarHBondContact O-N 3.26Å; S681-P683 VanDerWaalsContact O-CD 3.27Å; S681-P683 WeakPolarHBondContact O-CD 3.36Å |
| 682 | N | 44.5 | Very low | 62.1 | Low | 163 Ų | 163 | 145.3 Ų | 145.3 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.4 | -179.9 | -67 | -62.7 | 0 | 0 | 0 | 111.7 | | |
| 683 | P | 56.6 | Low | 62.1 | Low | 101 Ų | 101 | 143.9 Ų | 143.9 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 126.2 | 160.2 | 31.2 | -30.9 | 0 | 0 | 0 | 109.1 | S681 F685 | S681-P683 VanDerWaalsContact O-CD 3.27Å; S681-P683 WeakPolarHBondContact O-CD 3.36Å; P683-F685 PolarHBondContact O-N 2.93Å |
| 684 | S | 43.2 | Very low | 62.3 | Low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | -67.5 | 101.2 | 175.6 | -176 | 0 | 0 | 0 | 0 | 110.5 | N686 | S684-N686 VanDerWaalsContact C-N 3.35Å; S684-N686 PolarHBondContact O-N 3.1Å |
| 685 | F | 51.5 | Low | 62.5 | Low | 190 Ų | 190 | 140.6 Ų | 140.6 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | | | trans | -72.9 | 90.7 | 171.9 | -107.1 | -85.7 | 0 | 0 | 0 | 109.9 | P683 R687 | P683-F685 PolarHBondContact O-N 2.93Å; F685-R687 PolarHBondContact O-N 3.35Å |
| 686 | N | 51 | Low | 62.7 | Low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | | | trans | -57.5 | 129.8 | 171.9 | -93.1 | -46.2 | 0 | 0 | 0 | 110.2 | S684 T688 | S684-N686 VanDerWaalsContact C-N 3.35Å; S684-N686 PolarHBondContact O-N 3.1Å; N686-T688 VanDerWaalsContact C-N 3.27Å; N686-T688 PolarHBondContact O-N 3.34Å |
| 687 | R | 47.1 | Very low | 63.1 | Low | 240 Ų | 240 | 136.6 Ų | 136.6 | 91% | 0.906 | 71% | 0.711 | S | S | * | * | | | trans | -77 | 70.3 | -168 | -163.5 | -176.2 | -163.6 | -179.6 | 6 | 111.7 | F685 K689 | F685-R687 PolarHBondContact O-N 3.35Å; R687-K689 PolarHBondContact O-N 2.97Å |
| 688 | T | 55.5 | Low | 64.4 | Low | 133 Ų | 133 | 135.4 Ų | 135.4 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | | | trans | -56.7 | 110.7 | 168.6 | 37.5 | 0 | 0 | 0 | 0 | 109 | N686 A690 | N686-T688 VanDerWaalsContact C-N 3.27Å; N686-T688 PolarHBondContact O-N 3.34Å; T688-A690 PolarHBondContact O-N 2.93Å |
| 689 | K | 65.7 | Low | 65.1 | Low | 195 Ų | 195 | 133.1 Ų | 133.1 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125.4 | 175.8 | -63.6 | 177.6 | -178.7 | 177.4 | 0 | 107.9 | R687 K691 | R687-K689 PolarHBondContact O-N 2.97Å; K689-K691 PolarHBondContact O-N 2.6Å |
| 690 | A | 68 | Low | 65.9 | Low | 99 Ų | 99 | 132.8 Ų | 132.8 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | T688 | T688-A690 PolarHBondContact O-N 2.93Š|
| 691 | K | 75.4 | Confident | 67 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 54% | 0.543 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 141 | 171.9 | -66.5 | -163.1 | 168.4 | -137.3 | 0 | 109.3 | K689 E695 I696 | K689-K691 PolarHBondContact O-N 2.6Å; K691-E695 HydrophobicContact CB-CB 4.33Å; K691-E695 WeakPolarHBondContact CB-OE2 3.44Å; K691-E695 HydrophobicContact CD-CG 4.33Å; K691-E695 WeakPolarHBondContact CD-OE1 3.49Å; K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 VanDerWaalsContact CG-OE2 3.3Å; K691-E695 WeakPolarHBondContact CG-OE2 3.46Å; K691-E695 IonicContact NZ-OE1 2.82Å; K691-E695 PolarHBondContact NZ-OE1 2.85Å; K691-I696 HydrophobicContact CB-CG1 4.37Å |
| 692 | T | 79.4 | Confident | 67.8 | Low | 90 Ų | 90 | 124.5 Ų | 124.5 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 154.5 | 170.8 | 46.1 | 0 | 0 | 0 | 0 | 109.8 | E694 E695 I696 | T692-E694 PolarHBondContact O-N 3.16Å; T692-E695 WeakPolarHBondContact O-CB 3.36Å; T692-E695 PolarHBondContact O-N 2.89Å; T692-I696 PolarHBondContact O-N 3.39Å |
| 693 | L | 80.2 | Confident | 68.9 | Low | 140 Ų | 140 | 126.5 Ų | 126.5 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.6 | -34.3 | -177 | -164.4 | 144.7 | 0 | 0 | 0 | 111.9 | E695 I696 E697 | L693-E695 VanDerWaalsContact C-N 3.35Å; L693-E695 PolarHBondContact O-N 2.91Å; L693-I696 WeakPolarHBondContact O-CB 3.02Å; L693-I696 PolarHBondContact O-N 3.19Å; L693-I696 VanDerWaalsContact O-N 3.15Å; L693-E697 PolarHBondContact O-N 2.99Å |
| 694 | E | 81.7 | Confident | 69.2 | Low | 129 Ų | 129 | 128.7 Ų | 128.7 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60 | -36 | 170.9 | -175.1 | 179.2 | -168.3 | 0 | 0 | 113.7 | T692 I696 E697 Q698 | T692-E694 PolarHBondContact O-N 3.16Å; E694-I696 VanDerWaalsContact C-N 3.28Å; E694-I696 PolarHBondContact O-N 2.76Å; E694-E697 PolarHBondContact O-N 3.07Å; E694-Q698 WeakPolarHBondContact O-CG 3.47Å; E694-Q698 PolarHBondContact O-N 3.15Å; E694-Q698 VanDerWaalsContact O-N 3.1Å |
| 695 | E | 80.5 | Confident | 70.1 | Confident | 83 Ų | 83 | 130.9 Ų | 130.9 | 39% | 0.388 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72.2 | -24.1 | 176.8 | -159.5 | -164.1 | 153.5 | 0 | 0 | 111.8 | K691 T692 L693 A699 | K691-E695 HydrophobicContact CB-CB 4.33Å; K691-E695 WeakPolarHBondContact CB-OE2 3.44Å; K691-E695 HydrophobicContact CD-CG 4.33Å; K691-E695 WeakPolarHBondContact CD-OE1 3.49Å; K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 VanDerWaalsContact CG-OE2 3.3Å; K691-E695 WeakPolarHBondContact CG-OE2 3.46Å; K691-E695 IonicContact NZ-OE1 2.82Å; K691-E695 PolarHBondContact NZ-OE1 2.85Å; T692-E695 WeakPolarHBondContact O-CB 3.36Å; T692-E695 PolarHBondContact O-N 2.89Å; L693-E695 VanDerWaalsContact C-N 3.35Å; L693-E695 PolarHBondContact O-N 2.91Å; E695-A699 WeakPolarHBondContact O-CB 3.35Å; E695-A699 PolarHBondContact O-N 3.02Å |
| 696 | I | 79.6 | Confident | 70.7 | Confident | 81 Ų | 81 | 128.8 Ų | 128.8 | 42% | 0.415 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -77.7 | -46.3 | 173.6 | -59.2 | 173 | 0 | 0 | 0 | 109.5 | K691 T692 L693 E694 Q698 A699 E700 | K691-I696 HydrophobicContact CB-CG1 4.37Å; T692-I696 PolarHBondContact O-N 3.39Å; L693-I696 WeakPolarHBondContact O-CB 3.02Å; L693-I696 PolarHBondContact O-N 3.19Å; L693-I696 VanDerWaalsContact O-N 3.15Å; E694-I696 VanDerWaalsContact C-N 3.28Å; E694-I696 PolarHBondContact O-N 2.76Å; I696-Q698 VanDerWaalsContact C-N 3.34Å; I696-Q698 PolarHBondContact O-N 3.48Å; I696-A699 WeakPolarHBondContact O-CA 3.41Å; I696-A699 WeakPolarHBondContact O-CB 3.31Å; I696-A699 PolarHBondContact O-N 3Å; I696-E700 PolarHBondContact O-N 2.89Å |
| 697 | E | 81.8 | Confident | 71.1 | Confident | 131 Ų | 131 | 132.1 Ų | 132.1 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -60.5 | -40.2 | 179.6 | -168.8 | 170.3 | -171.2 | 0 | 0 | 112.5 | L693 E694 A699 E700 S701 | L693-E697 PolarHBondContact O-N 2.99Å; E694-E697 PolarHBondContact O-N 3.07Å; E697-A699 VanDerWaalsContact C-N 3.34Å; E697-A699 PolarHBondContact O-N 2.86Å; E697-E700 PolarHBondContact O-N 3.44Å; E697-S701 WeakPolarHBondContact O-CB 3.34Å; E697-S701 PolarHBondContact O-N 3.48Å |
| 698 | Q | 83.7 | Confident | 71.3 | Confident | 126 Ų | 126 | 134.5 Ų | 134.5 | 59% | 0.589 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67 | -31.5 | 173.1 | -68.3 | -178.1 | 23.6 | 0 | 0 | 113.3 | E694 I696 S702 | E694-Q698 WeakPolarHBondContact O-CG 3.47Å; E694-Q698 PolarHBondContact O-N 3.15Å; E694-Q698 VanDerWaalsContact O-N 3.1Å; I696-Q698 VanDerWaalsContact C-N 3.34Å; I696-Q698 PolarHBondContact O-N 3.48Å; Q698-S702 PolarHBondContact O-N 3.41Å; Q698-S702 PolarHBondContact O-OG 2.8Å |
| 699 | A | 77.9 | Confident | 72.1 | Confident | 50 Ų | 50 | 134.6 Ų | 134.6 | 41% | 0.413 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -75.5 | -22.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | E695 I696 E697 S702 | E695-A699 WeakPolarHBondContact O-CB 3.35Å; E695-A699 PolarHBondContact O-N 3.02Å; I696-A699 WeakPolarHBondContact O-CA 3.41Å; I696-A699 WeakPolarHBondContact O-CB 3.31Å; I696-A699 PolarHBondContact O-N 3Å; E697-A699 VanDerWaalsContact C-N 3.34Å; E697-A699 PolarHBondContact O-N 2.86Å; A699-S702 PolarHBondContact O-OG 3.1Å |
| 700 | E | 75.7 | Confident | 72.4 | Confident | 127 Ų | 127 | 131.4 Ų | 131.4 | 59% | 0.593 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -87.8 | -42.2 | 173.5 | -66.9 | -172.2 | 163.2 | 0 | 0 | 111.7 | I696 E697 S702 R703 | I696-E700 PolarHBondContact O-N 2.89Å; E697-E700 PolarHBondContact O-N 3.44Å; E700-S702 PolarHBondContact O-N 3.23Å; E700-R703 PolarHBondContact O-N 3.35Å |
| 701 | S | 73.9 | Confident | 72.7 | Confident | 84 Ų | 84 | 133.2 Ų | 133.2 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -56.6 | -36.8 | 177 | -172.2 | 0 | 0 | 0 | 0 | 112.9 | E697 R703 N704 | E697-S701 WeakPolarHBondContact O-CB 3.34Å; E697-S701 PolarHBondContact O-N 3.48Å; S701-R703 PolarHBondContact O-N 3.38Å; S701-N704 PolarHBondContact O-N 3.34Å |
| 702 | S | 70.3 | Confident | 72.5 | Confident | 87 Ų | 87 | 133.6 Ų | 133.6 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -6.2 | 177.9 | 47.6 | 0 | 0 | 0 | 0 | 115.5 | Q698 A699 E700 | Q698-S702 PolarHBondContact O-N 3.41Å; Q698-S702 PolarHBondContact O-OG 2.8Å; A699-S702 PolarHBondContact O-OG 3.1Å; E700-S702 PolarHBondContact O-N 3.23Å |
| 703 | R | 68.1 | Low | 72.1 | Confident | 205 Ų | 205 | 136.4 Ų | 136.4 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -18.5 | 176 | -77.4 | -179.7 | 162.5 | 171.8 | -4 | 114.7 | E700 S701 N705 | E700-R703 PolarHBondContact O-N 3.35Å; S701-R703 PolarHBondContact O-N 3.38Å; R703-N705 VanDerWaalsContact C-N 3.25Å; R703-N705 PolarHBondContact O-N 2.99Å |
| 704 | N | 63 | Low | 71.5 | Confident | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -85.5 | 16.1 | -171.2 | -70.3 | -14.9 | 0 | 0 | 0 | 114.7 | S701 | S701-N704 PolarHBondContact O-N 3.34Š|
| 705 | N | 62.2 | Low | 70.8 | Confident | 152 Ų | 152 | 136.6 Ų | 136.6 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | | | trans | -120.7 | 27.8 | -171.2 | -142.2 | 10.9 | 0 | 0 | 0 | 113.7 | R703 | R703-N705 VanDerWaalsContact C-N 3.25Å; R703-N705 PolarHBondContact O-N 2.99Å |
| 706 | I | 63.9 | Low | 70.1 | Confident | 146 Ų | 146 | 140.8 Ų | 140.8 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | | | trans | -132.6 | 67.1 | 176.2 | -50.1 | 174.3 | 0 | 0 | 0 | 109.1 | | |
| 707 | F | 59.2 | Low | 69.3 | Low | 205 Ų | 205 | 145.8 Ų | 145.8 | 90% | 0.899 | 72% | 0.724 | S | S | * | * | | | trans | -172.3 | 68 | 160.2 | -98.5 | -58.8 | 0 | 0 | 0 | 111.3 | | |
| 708 | F | 51.5 | Low | 68.1 | Low | 290 Ų | 290 | 147.1 Ų | 147.1 | 100% | 1.272 | 73% | 0.734 | S | S | * | * | | | trans | -164.4 | 0 | 149.2 | -106.1 | -65 | 0 | 0 | 0 | 110.2 | | |