| 1 | M | 44.1 | Very low | 45.8 | Very low | 236 Ų | 236 | 163.1 Ų | 163.1 | 100% | 1.163 | 85% | 0.849 | S | S | * | * | | | | 0 | 80 | 0 | -57.1 | 175.2 | -170 | 0 | 0 | 108.6 | | |
| 2 | A | 43 | Very low | 45.4 | Very low | 87 Ų | 87 | 165.4 Ų | 165.4 | 72% | 0.719 | 85% | 0.852 | S | S | * | * | | | cis | 55.7 | 120.2 | 4.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 3 | E | 43.9 | Very low | 45.1 | Very low | 190 Ų | 190 | 164.3 Ų | 164.3 | 89% | 0.888 | 85% | 0.849 | S | S | * | * | | | trans | 63.9 | 142.4 | -174.6 | -54.4 | 177.5 | 110.8 | 0 | 0 | 112.5 | | |
| 4 | M | 48.4 | Very low | 45.4 | Very low | 169 Ų | 169 | 166.6 Ų | 166.6 | 83% | 0.833 | 85% | 0.85 | S | S | * | * | | | cis | -138.7 | 159.1 | 1.7 | 59 | -133 | 112.2 | 0 | 0 | 107.3 | | |
| 5 | E | 50.8 | Low | 45.5 | Very low | 178 Ų | 178 | 170.8 Ų | 170.8 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | | | | -141.1 | 151.6 | 54.3 | -71.9 | 169.6 | 70.3 | 0 | 0 | 113.4 | | |
| 6 | K | 48.9 | Very low | 45.5 | Very low | 200 Ų | 200 | 166.4 Ų | 166.4 | 87% | 0.87 | 84% | 0.842 | S | S | * | * | | | trans | -130 | 88.9 | 166.1 | -93.6 | -172.7 | 173.9 | 179.1 | 0 | 109.4 | | |
| 7 | E | 44.5 | Very low | 46 | Very low | 188 Ų | 188 | 170.9 Ų | 170.9 | 88% | 0.879 | 85% | 0.846 | S | S | * | * | | | trans | -155.5 | 136.6 | 165.5 | -135.8 | 77.6 | -109.5 | 0 | 0 | 105.8 | | |
| 8 | G | 41.3 | Very low | 46.4 | Very low | 71 Ų | 71 | 171.7 Ų | 171.7 | 73% | 0.732 | 84% | 0.844 | S | S | * | * | | | cis | 164.1 | 75.6 | 2.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 9 | R | 39.5 | Very low | 46.6 | Very low | 243 Ų | 243 | 169.5 Ų | 169.5 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | | | trans | -122.9 | 120.1 | -177 | -147.2 | 176.3 | -160.4 | 177.8 | 6.6 | 111 | | |
| 10 | P | 49.3 | Very low | 46.5 | Very low | 112 Ų | 112 | 165.8 Ų | 165.8 | 73% | 0.727 | 84% | 0.841 | S | S | * | * | | | trans | -64.5 | 144.4 | -178 | -23 | 33.7 | 0 | 0 | 0 | 112.7 | | |
| 11 | P | 49.7 | Very low | 46.6 | Very low | 120 Ų | 120 | 166.1 Ų | 166.1 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | | | trans | -69.1 | 133.3 | 172 | 28.9 | -33.6 | 0 | 0 | 0 | 110.7 | N13 | P11-N13 PolarHBondContact O-N 3.32Š|
| 12 | E | 41.6 | Very low | 46.9 | Very low | 191 Ų | 191 | 160 Ų | 160 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | | | trans | -65.4 | 107.6 | 175.7 | -72.6 | -171.1 | 93 | 0 | 0 | 110.9 | K14 | E12-K14 PolarHBondContact O-N 2.64Å; E12-K14 VanDerWaalsContact O-N 3.1Å |
| 13 | N | 40.7 | Very low | 47.2 | Very low | 151 Ų | 151 | 161.7 Ų | 161.7 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | | | trans | -67 | 110 | -179.3 | -173.8 | -8.8 | 0 | 0 | 0 | 110.4 | P11 R15 | P11-N13 PolarHBondContact O-N 3.32Å; N13-R15 VanDerWaalsContact C-N 3.28Å; N13-R15 PolarHBondContact O-N 2.87Å |
| 14 | K | 49.2 | Very low | 47.8 | Very low | 197 Ų | 197 | 162.3 Ų | 162.3 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | | | trans | -64.9 | 82.7 | 178.2 | -69.6 | -176.8 | 179 | 177.6 | 0 | 110.8 | E12 S16 | E12-K14 PolarHBondContact O-N 2.64Å; E12-K14 VanDerWaalsContact O-N 3.1Å; K14-S16 PolarHBondContact O-N 3.12Å |
| 15 | R | 47 | Very low | 48.3 | Very low | 229 Ų | 229 | 164.6 Ų | 164.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -63.1 | 95.8 | -176.1 | -168.5 | 175.9 | -172.2 | 174.4 | 3.8 | 111.6 | N13 R17 | N13-R15 VanDerWaalsContact C-N 3.28Å; N13-R15 PolarHBondContact O-N 2.87Å; R15-R17 PolarHBondContact O-N 3.07Å |
| 16 | S | 46.5 | Very low | 48.7 | Very low | 101 Ų | 101 | 165.1 Ų | 165.1 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | | | trans | -51 | 121.8 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | K14 K18 | K14-S16 PolarHBondContact O-N 3.12Å; S16-K18 PolarHBondContact O-N 3.49Å |
| 17 | R | 53.6 | Low | 49.5 | Very low | 242 Ų | 242 | 162.1 Ų | 162.1 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | | | trans | -87.8 | 83.4 | 177.3 | -66.6 | -171.2 | -178.6 | -154.1 | 2.2 | 109.8 | R15 | R15-R17 PolarHBondContact O-N 3.07Š|
| 18 | K | 53.9 | Low | 50.9 | Low | 186 Ų | 186 | 157.3 Ų | 157.3 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 134.9 | 161.1 | -68.6 | -172.8 | 176.9 | -175 | 0 | 108.6 | S16 A20 | S16-K18 PolarHBondContact O-N 3.49Å; K18-A20 PolarHBondContact O-N 2.92Å |
| 19 | P | 48.8 | Very low | 52.9 | Low | 130 Ų | 130 | 160.4 Ų | 160.4 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57 | 133.9 | 170.2 | -23.9 | 34.4 | 0 | 0 | 0 | 110.2 | | |
| 20 | A | 45.4 | Very low | 54.8 | Low | 95 Ų | 95 | 155.5 Ų | 155.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 132.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | K18 | K18-A20 PolarHBondContact O-N 2.92Š|
| 21 | H | 48.2 | Very low | 56.4 | Low | 172 Ų | 172 | 156.5 Ų | 156.5 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 134.5 | 174.1 | -158.9 | -78.9 | 0 | 0 | 0 | 109.2 | V23 | H21-V23 PolarHBondContact O-N 2.97Š|
| 22 | P | 50.2 | Low | 58 | Low | 109 Ų | 109 | 154.2 Ų | 154.2 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | | | trans | -60.3 | 113.5 | 178 | -24.2 | 34.5 | 0 | 0 | 0 | 110.4 | K24 | P22-K24 PolarHBondContact O-N 2.95Š|
| 23 | V | 50.8 | Low | 60 | Low | 121 Ų | 121 | 148 Ų | 148 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | trans | -70.7 | 111.3 | 167.4 | 176.4 | 0 | 0 | 0 | 0 | 106.6 | H21 R25 | H21-V23 PolarHBondContact O-N 2.97Å; V23-R25 HydrophobicContact CG1-CG 4.28Å; V23-R25 PolarHBondContact O-N 3.49Å |
| 24 | K | 55.5 | Low | 62.4 | Low | 203 Ų | 203 | 147.6 Ų | 147.6 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | | | trans | -62.1 | 92 | 161 | -77.9 | -172.8 | 175.7 | -176.4 | 0 | 107.2 | P22 | P22-K24 PolarHBondContact O-N 2.95Š|
| 25 | R | 59.2 | Low | 64.5 | Low | 218 Ų | 218 | 140.7 Ų | 140.7 | 82% | 0.823 | 70% | 0.697 | S | S | * | * | | | trans | -68.3 | 127.7 | 158.9 | -59.4 | -175 | -170.3 | 120.5 | 1.5 | 105.8 | V23 I27 | V23-R25 HydrophobicContact CG1-CG 4.28Å; V23-R25 PolarHBondContact O-N 3.49Å; R25-I27 PolarHBondContact O-N 2.87Å |
| 26 | E | 59.8 | Low | 66.5 | Low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | | | trans | -57.9 | 128.9 | 165.8 | -70.6 | 170.7 | 125 | 0 | 0 | 107.7 | N28 | E26-N28 PolarHBondContact O-N 2.99Š|
| 27 | I | 64.2 | Low | 68.5 | Low | 138 Ų | 138 | 131.3 Ų | 131.3 | 71% | 0.708 | 66% | 0.655 | S | S | * | * | | | trans | -72.7 | 104.3 | 172.3 | -63.7 | 173.8 | 0 | 0 | 0 | 104.6 | R25 E29 M31 | R25-I27 PolarHBondContact O-N 2.87Å; I27-E29 PolarHBondContact O-N 2.96Å; I27-M31 HydrophobicContact CG2-CB 4.41Å |
| 28 | N | 75.6 | Confident | 70.4 | Confident | 86 Ų | 86 | 122.3 Ų | 122.3 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | | | trans | -45.5 | 133.1 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | E26 E30 M31 K32 | E26-N28 PolarHBondContact O-N 2.99Å; N28-E30 PolarHBondContact ND2-OE2 2.83Å; N28-E30 PolarHBondContact O-N 2.66Å; N28-E30 PolarHBondContact OD1-N 3.16Å; N28-E30 VanDerWaalsContact OD1-N 3.15Å; N28-M31 WeakPolarHBondContact O-CA 3.08Å; N28-M31 WeakPolarHBondContact O-CB 3.45Å; N28-M31 PolarHBondContact O-N 3.45Å; N28-K32 PolarHBondContact O-N 3.15Å |
| 29 | E | 82.1 | Confident | 72.2 | Confident | 137 Ų | 137 | 118.5 Ų | 118.5 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.9 | -26.7 | -176.6 | -167.5 | 138.8 | -124.9 | 0 | 0 | 112 | I27 M31 K32 S33 | I27-E29 PolarHBondContact O-N 2.96Å; E29-M31 VanDerWaalsContact C-N 3.3Å; E29-M31 PolarHBondContact O-N 2.76Å; E29-K32 PolarHBondContact O-N 2.86Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-S33 WeakPolarHBondContact O-CB 3.5Å; E29-S33 PolarHBondContact O-N 3.16Å; E29-S33 PolarHBondContact O-OG 3.14Å |
| 30 | E | 79.5 | Confident | 74.2 | Confident | 139 Ų | 139 | 112.8 Ų | 112.8 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.4 | -39 | 167.2 | -61.9 | 179.7 | 129.8 | 0 | 0 | 112.4 | N28 S33 F34 | N28-E30 PolarHBondContact ND2-OE2 2.83Å; N28-E30 PolarHBondContact O-N 2.66Å; N28-E30 PolarHBondContact OD1-N 3.16Å; N28-E30 VanDerWaalsContact OD1-N 3.15Å; E30-S33 WeakPolarHBondContact CA-OG 3.36Å; E30-S33 PolarHBondContact O-OG 3.21Å; E30-S33 VanDerWaalsContact O-OG 3.13Å; E30-F34 WeakPolarHBondContact O-CB 3.1Å; E30-F34 PolarHBondContact O-N 2.8Å |
| 31 | M | 83.1 | Confident | 76.5 | Confident | 134 Ų | 134 | 113 Ų | 113 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77.8 | -28.8 | 180 | -158.6 | 171.2 | -163.1 | 0 | 0 | 112.2 | I27 N28 E29 A35 | I27-M31 HydrophobicContact CG2-CB 4.41Å; N28-M31 WeakPolarHBondContact O-CA 3.08Å; N28-M31 WeakPolarHBondContact O-CB 3.45Å; N28-M31 PolarHBondContact O-N 3.45Å; E29-M31 VanDerWaalsContact C-N 3.3Å; E29-M31 PolarHBondContact O-N 2.76Å; M31-A35 WeakPolarHBondContact O-CB 3.22Å; M31-A35 PolarHBondContact O-N 3.03Å |
| 32 | K | 83.2 | Confident | 78.7 | Confident | 72 Ų | 72 | 109.2 Ų | 109.2 | 31% | 0.313 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.5 | -51.4 | 172.1 | -176.3 | -177 | 170.9 | -165.8 | 0 | 111 | N28 E29 A35 E36 L53 | N28-K32 PolarHBondContact O-N 3.15Å; E29-K32 PolarHBondContact O-N 2.86Å; E29-K32 IonicContact OE1-NZ 2.7Å; K32-A35 PolarHBondContact O-N 2.78Å; K32-E36 WeakPolarHBondContact O-CB 3.32Å; K32-E36 PolarHBondContact O-N 3.39Å; K32-L53 HydrophobicContact CD-CD1 4.47Å; K32-L53 HydrophobicContact CG-CD1 4.01Å |
| 33 | S | 84.1 | Confident | 80.7 | Confident | 60 Ų | 60 | 106.1 Ų | 106.1 | 42% | 0.42 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 177.3 | 53 | 0 | 0 | 0 | 0 | 113.2 | E29 E30 E36 N37 | E29-S33 WeakPolarHBondContact O-CB 3.5Å; E29-S33 PolarHBondContact O-N 3.16Å; E29-S33 PolarHBondContact O-OG 3.14Å; E30-S33 WeakPolarHBondContact CA-OG 3.36Å; E30-S33 PolarHBondContact O-OG 3.21Å; E30-S33 VanDerWaalsContact O-OG 3.13Å; S33-E36 PolarHBondContact O-N 3.16Å; S33-N37 WeakPolarHBondContact O-CB 3.19Å; S33-N37 PolarHBondContact O-N 2.97Å |
| 34 | F | 91.4 | Very high | 82.6 | Confident | 143 Ų | 143 | 102.4 Ų | 102.4 | 63% | 0.627 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 170.6 | 177.9 | -95.3 | 0 | 0 | 0 | 112.2 | E30 T38 | E30-F34 WeakPolarHBondContact O-CB 3.1Å; E30-F34 PolarHBondContact O-N 2.8Å; F34-T38 WeakPolarHBondContact O-CB 3.25Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.17Å |
| 35 | A | 93.2 | Very high | 84 | Confident | 51 Ų | 51 | 103.3 Ų | 103.3 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M31 K32 T38 M39 | M31-A35 WeakPolarHBondContact O-CB 3.22Å; M31-A35 PolarHBondContact O-N 3.03Å; K32-A35 PolarHBondContact O-N 2.78Å; A35-T38 PolarHBondContact O-N 2.86Å; A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 WeakPolarHBondContact O-CG 3.39Å; A35-M39 PolarHBondContact O-N 2.83Å |
| 36 | E | 87.5 | Confident | 85.1 | Confident | 52 Ų | 52 | 101.8 Ų | 101.8 | 24% | 0.243 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 176 | -176.8 | 169.5 | -171.4 | 0 | 0 | 112 | K32 S33 T38 M39 N40 E52 L53 | K32-E36 WeakPolarHBondContact O-CB 3.32Å; K32-E36 PolarHBondContact O-N 3.39Å; S33-E36 PolarHBondContact O-N 3.16Å; E36-T38 PolarHBondContact O-N 2.99Å; E36-M39 PolarHBondContact O-N 2.9Å; E36-N40 VanDerWaalsContact O-CB 3.24Å; E36-N40 WeakPolarHBondContact O-CB 3.25Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 3.5Å; E36-N40 PolarHBondContact O-ND2 3.18Å; E36-E52 WeakPolarHBondContact OE1-CA 3.49Å; E36-L53 WeakPolarHBondContact OE1-CB 2.98Å; E36-L53 PolarHBondContact OE1-N 2.82Å |
| 37 | N | 90.2 | Very high | 85.9 | Confident | 81 Ų | 81 | 96.2 Ų | 96.2 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.5 | -176.6 | 70 | 0 | 0 | 0 | 111.9 | S33 M39 N40 E41 | S33-N37 WeakPolarHBondContact O-CB 3.19Å; S33-N37 PolarHBondContact O-N 2.97Å; N37-M39 VanDerWaalsContact C-N 3.32Å; N37-M39 PolarHBondContact O-N 3.47Å; N37-N40 CarbonylContact O-C 3.5Å; N37-N40 PolarHBondContact O-N 2.91Å; N37-N40 VanDerWaalsContact O-N 3.14Å; N37-E41 PolarHBondContact ND2-OE1 2.92Å; N37-E41 PolarHBondContact O-N 2.75Å |
| 38 | T | 91.9 | Very high | 86.7 | Confident | 54 Ų | 54 | 97.2 Ų | 97.2 | 33% | 0.331 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | F34 A35 E36 L42 | F34-T38 WeakPolarHBondContact O-CB 3.25Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.17Å; A35-T38 PolarHBondContact O-N 2.86Å; E36-T38 PolarHBondContact O-N 2.99Å; T38-L42 HydrophobicContact CG2-CD1 4.36Å; T38-L42 VanDerWaalsContact O-CG 3.31Å; T38-L42 WeakPolarHBondContact O-CG 3.19Å; T38-L42 PolarHBondContact O-N 3.27Å; T38-L42 VanDerWaalsContact O-N 3.1Å |
| 39 | M | 91.9 | Very high | 87.1 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 174.6 | -72.2 | -62.5 | -62.6 | 0 | 0 | 112.1 | A35 E36 N37 E41 L42 L43 | A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 WeakPolarHBondContact O-CG 3.39Å; A35-M39 PolarHBondContact O-N 2.83Å; E36-M39 PolarHBondContact O-N 2.9Å; N37-M39 VanDerWaalsContact C-N 3.32Å; N37-M39 PolarHBondContact O-N 3.47Å; M39-E41 VanDerWaalsContact C-N 3.32Å; M39-E41 PolarHBondContact O-N 2.58Å; M39-L42 PolarHBondContact O-N 2.86Å; M39-L42 HydrophobicContact SD-CD1 4.49Å; M39-L43 WeakPolarHBondContact O-CB 3.18Å; M39-L43 VanDerWaalsContact O-CG 3.31Å; M39-L43 WeakPolarHBondContact O-CG 3.27Å; M39-L43 PolarHBondContact O-N 2.82Å |
| 40 | N | 92.1 | Very high | 87.1 | Confident | 9 Ų | 9 | 99.8 Ų | 99.8 | 5% | 0.048 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -77.7 | -12.9 | -179.1 | -74 | -25 | 0 | 0 | 0 | 114.4 | E36 N37 K50 V51 | E36-N40 VanDerWaalsContact O-CB 3.24Å; E36-N40 WeakPolarHBondContact O-CB 3.25Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 3.5Å; E36-N40 PolarHBondContact O-ND2 3.18Å; N37-N40 CarbonylContact O-C 3.5Å; N37-N40 PolarHBondContact O-N 2.91Å; N37-N40 VanDerWaalsContact O-N 3.14Å; N40-K50 HydrophobicContact CB-CB 4.22Å; N40-K50 HydrophobicContact CB-CD 4.33Å; N40-K50 HydrophobicContact CB-CG 4.01Å; N40-K50 PolarHBondContact O-NZ 2.71Å; N40-K50 WeakPolarHBondContact OD1-CA 3.33Å; N40-V51 PolarHBondContact ND2-O 2.68Å; N40-V51 PolarHBondContact OD1-N 3.1Å; N40-V51 PolarHBondContact OD1-O 3.27Å |
| 41 | E | 93.3 | Very high | 86.6 | Confident | 101 Ų | 101 | 97.7 Ų | 97.7 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -77.5 | -54.9 | 159.3 | -76.7 | -178.2 | -150.6 | 0 | 0 | 110 | N37 M39 L43 G44 W45 | N37-E41 PolarHBondContact ND2-OE1 2.92Å; N37-E41 PolarHBondContact O-N 2.75Å; M39-E41 VanDerWaalsContact C-N 3.32Å; M39-E41 PolarHBondContact O-N 2.58Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.3Å; E41-G44 PolarHBondContact O-N 3.33Å; E41-W45 PolarHBondContact O-N 3.06Å |
| 42 | L | 93.4 | Very high | 86 | Confident | 92 Ų | 92 | 97 Ų | 97 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -54.3 | -43.6 | -179 | -73.7 | 169 | 0 | 0 | 0 | 112.9 | T38 M39 W45 Y46 | T38-L42 HydrophobicContact CG2-CD1 4.36Å; T38-L42 VanDerWaalsContact O-CG 3.31Å; T38-L42 WeakPolarHBondContact O-CG 3.19Å; T38-L42 PolarHBondContact O-N 3.27Å; T38-L42 VanDerWaalsContact O-N 3.1Å; M39-L42 PolarHBondContact O-N 2.86Å; M39-L42 HydrophobicContact SD-CD1 4.49Å; L42-W45 PolarHBondContact O-N 3.21Å; L42-Y46 WeakPolarHBondContact O-CD2 3.18Å |
| 43 | L | 91.8 | Very high | 84.8 | Confident | 43 Ų | 43 | 96.8 Ų | 96.8 | 23% | 0.225 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.2 | -74 | 170.5 | 0 | 0 | 0 | 112.3 | M39 E41 W45 Y46 G47 Y48 V51 | M39-L43 WeakPolarHBondContact O-CB 3.18Å; M39-L43 VanDerWaalsContact O-CG 3.31Å; M39-L43 WeakPolarHBondContact O-CG 3.27Å; M39-L43 PolarHBondContact O-N 2.82Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.3Å; L43-W45 VanDerWaalsContact C-N 3.3Å; L43-W45 PolarHBondContact O-N 3.06Å; L43-Y46 CarbonylContact O-C 3.56Å; L43-Y46 PolarHBondContact O-N 3.39Å; L43-G47 PolarHBondContact O-N 3.49Å; L43-G47 VanDerWaalsContact O-N 3.17Å; L43-Y48 HydrophobicContact CD2-CD2 4.27Å; L43-Y48 HydrophobicContact CD2-CG 4.33Å; L43-Y48 PolarHBondContact O-N 2.75Å; L43-V51 HydrophobicContact CD1-CB 4.44Å; L43-V51 HydrophobicContact CD1-CG2 3.8Å |
| 44 | G | 91.3 | Very high | 83.6 | Confident | 44 Ų | 44 | 102 Ų | 102 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -33.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E41 Y46 G47 | E41-G44 PolarHBondContact O-N 3.33Å; G44-Y46 PolarHBondContact O-N 2.98Å; G44-G47 PolarHBondContact O-N 3.5Å; G44-G47 VanDerWaalsContact O-N 3.12Å |
| 45 | W | 85.5 | Confident | 81.6 | Confident | 222 Ų | 222 | 100.8 Ų | 100.8 | 84% | 0.841 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.2 | -19.9 | 174.6 | -76.1 | 51 | 0 | 0 | 0 | 113.4 | E41 L42 L43 | E41-W45 PolarHBondContact O-N 3.06Å; L42-W45 PolarHBondContact O-N 3.21Å; L43-W45 VanDerWaalsContact C-N 3.3Å; L43-W45 PolarHBondContact O-N 3.06Å |
| 46 | Y | 81.1 | Confident | 79.8 | Confident | 186 Ų | 186 | 101.6 Ų | 101.6 | 73% | 0.729 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 2 | 173.2 | -64.6 | -71 | 0 | 0 | 0 | 113.4 | L42 L43 G44 | L42-Y46 WeakPolarHBondContact O-CD2 3.18Å; L43-Y46 CarbonylContact O-C 3.56Å; L43-Y46 PolarHBondContact O-N 3.39Å; G44-Y46 PolarHBondContact O-N 2.98Å |
| 47 | G | 77.8 | Confident | 77.8 | Confident | 71 Ų | 71 | 104.8 Ų | 104.8 | 73% | 0.732 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 23.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L43 G44 | L43-G47 PolarHBondContact O-N 3.49Å; L43-G47 VanDerWaalsContact O-N 3.17Å; G44-G47 PolarHBondContact O-N 3.5Å; G44-G47 VanDerWaalsContact O-N 3.12Å |
| 48 | Y | 81.7 | Confident | 75.6 | Confident | 159 Ų | 159 | 107.6 Ų | 107.6 | 62% | 0.624 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 149.7 | 168 | -65.4 | -80.8 | 0 | 0 | 0 | 110.7 | L43 | L43-Y48 HydrophobicContact CD2-CD2 4.27Å; L43-Y48 HydrophobicContact CD2-CG 4.33Å; L43-Y48 PolarHBondContact O-N 2.75Å |
| 49 | D | 82.8 | Confident | 73.4 | Confident | 149 Ų | 149 | 112.2 Ų | 112.2 | 80% | 0.797 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 161.2 | 172.8 | -66.7 | -57.6 | 0 | 0 | 0 | 112.1 | | |
| 50 | K | 81.7 | Confident | 70.7 | Confident | 127 Ų | 127 | 115.8 Ų | 115.8 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 134.5 | 177.7 | -64.1 | -174.8 | 174 | -69.2 | 0 | 109.9 | N40 | N40-K50 HydrophobicContact CB-CB 4.22Å; N40-K50 HydrophobicContact CB-CD 4.33Å; N40-K50 HydrophobicContact CB-CG 4.01Å; N40-K50 PolarHBondContact O-NZ 2.71Å; N40-K50 WeakPolarHBondContact OD1-CA 3.33Å |
| 51 | V | 70.3 | Confident | 68.5 | Low | 95 Ų | 95 | 123.6 Ų | 123.6 | 58% | 0.576 | 63% | 0.625 | S | S | * | * | | | trans | -90 | 106.6 | 170.7 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | N40 L43 | N40-V51 PolarHBondContact ND2-O 2.68Å; N40-V51 PolarHBondContact OD1-N 3.1Å; N40-V51 PolarHBondContact OD1-O 3.27Å; L43-V51 HydrophobicContact CD1-CB 4.44Å; L43-V51 HydrophobicContact CD1-CG2 3.8Å |
| 52 | E | 70.1 | Confident | 66.2 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | | | trans | -86.3 | 130.6 | 173.4 | -63.2 | -167.9 | -177.3 | 0 | 0 | 110.1 | E36 R54 D55 | E36-E52 WeakPolarHBondContact OE1-CA 3.49Å; E52-R54 PolarHBondContact O-N 3.37Å; E52-D55 PolarHBondContact O-N 3.35Å |
| 53 | L | 58.5 | Low | 63.4 | Low | 67 Ų | 67 | 126.8 Ų | 126.8 | 35% | 0.351 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | 29.1 | -173.4 | -138.4 | 164.3 | 0 | 0 | 0 | 112.9 | K32 E36 | K32-L53 HydrophobicContact CD-CD1 4.47Å; K32-L53 HydrophobicContact CG-CD1 4.01Å; E36-L53 WeakPolarHBondContact OE1-CB 2.98Å; E36-L53 PolarHBondContact OE1-N 2.82Å |
| 54 | R | 58 | Low | 61 | Low | 170 Ų | 170 | 132.3 Ų | 132.3 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -28.2 | 173.8 | -64.2 | -80.4 | 62.2 | -165.7 | -10.5 | 112.5 | E52 A56 D57 | E52-R54 PolarHBondContact O-N 3.37Å; R54-A56 VanDerWaalsContact C-N 3.3Å; R54-D57 IonicContact CZ-OD2 3.71Å; R54-D57 IonicContact NH2-OD2 2.65Å; R54-D57 PolarHBondContact NH2-OD2 2.91Å |
| 55 | D | 50.4 | Low | 58.4 | Low | 117 Ų | 117 | 136 Ų | 136 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -78.1 | -17.3 | 173.4 | -67.3 | -37 | 0 | 0 | 0 | 112.8 | E52 D57 N58 | E52-D55 PolarHBondContact O-N 3.35Å; D55-D57 PolarHBondContact O-N 3.32Å; D55-N58 PolarHBondContact O-N 3.13Å; D55-N58 VanDerWaalsContact O-N 3.08Å |
| 56 | A | 53.8 | Low | 56.2 | Low | 67 Ų | 67 | 133.4 Ų | 133.4 | 55% | 0.554 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -61.1 | -25.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R54 N58 | R54-A56 VanDerWaalsContact C-N 3.3Å; A56-N58 VanDerWaalsContact C-N 3.33Å |
| 57 | D | 47.3 | Very low | 54 | Low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -85.5 | -3.3 | 178.6 | -60.8 | -54.2 | 0 | 0 | 0 | 113 | R54 D55 | R54-D57 IonicContact CZ-OD2 3.71Å; R54-D57 IonicContact NH2-OD2 2.65Å; R54-D57 PolarHBondContact NH2-OD2 2.91Å; D55-D57 PolarHBondContact O-N 3.32Å |
| 58 | N | 43.1 | Very low | 51.9 | Low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -124.9 | 27 | -174.3 | -158.8 | 12.6 | 0 | 0 | 0 | 113.2 | D55 A56 | D55-N58 PolarHBondContact O-N 3.13Å; D55-N58 VanDerWaalsContact O-N 3.08Å; A56-N58 VanDerWaalsContact C-N 3.33Å |
| 59 | L | 45.4 | Very low | 49.7 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | | | trans | -121 | 66.6 | 172.1 | -147.9 | 76.4 | 0 | 0 | 0 | 110.6 | | |
| 60 | E | 34.5 | Very low | 47.5 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | | | trans | -57.8 | 143.8 | 171.3 | -172.3 | 169.4 | -159.8 | 0 | 0 | 110.6 | G62 | E60-G62 PolarHBondContact O-N 2.78Š|
| 61 | I | 46.8 | Very low | 45.4 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -70.2 | 93.4 | -175.5 | -72.7 | 65.3 | 0 | 0 | 0 | 108.3 | | |
| 62 | G | 45.2 | Very low | 43.6 | Very low | 71 Ų | 71 | 141.7 Ų | 141.7 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | trans | -125.3 | -47.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | E60 | E60-G62 PolarHBondContact O-N 2.78Š|
| 63 | E | 34.3 | Very low | 41.9 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -154.8 | 154.4 | -174.7 | -131.8 | 174.8 | -174 | 0 | 0 | 114 | | |
| 64 | M | 40.9 | Very low | 40.7 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | | | trans | -125.5 | 94.9 | 177.2 | -178.7 | 176.6 | 63.6 | 0 | 0 | 110.6 | Q66 | M64-Q66 PolarHBondContact O-N 3.39Š|
| 65 | P | 38.2 | Very low | 39.3 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -61.4 | 122.2 | 173.9 | -23.8 | 35.2 | 0 | 0 | 0 | 111.4 | | |
| 66 | Q | 37.8 | Very low | 38.6 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -76.6 | 160.6 | -179.3 | -63.5 | 179.6 | 1.1 | 0 | 0 | 111.9 | M64 I68 | M64-Q66 PolarHBondContact O-N 3.39Å; Q66-I68 PolarHBondContact O-N 2.06Å |
| 67 | H | 36.2 | Very low | 37.7 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | | | trans | -39.2 | 126.6 | 178.9 | -69.9 | -93.9 | 0 | 0 | 0 | 114.9 | | |
| 68 | I | 33.6 | Very low | 36.8 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -111.3 | 131.1 | 155.1 | -61.8 | -177.9 | 0 | 0 | 0 | 108.3 | Q66 | Q66-I68 PolarHBondContact O-N 2.06Š|
| 69 | S | 35.4 | Very low | 36.3 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | -89.6 | 152.3 | -174.8 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | L71 | S69-L71 PolarHBondContact O-N 3.24Š|
| 70 | V | 36.8 | Very low | 35.5 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -75.5 | 91.8 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 71 | L | 36.2 | Very low | 35.3 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -155.6 | 142.5 | 163.8 | -104.8 | 174.6 | 0 | 0 | 0 | 110.2 | S69 | S69-L71 PolarHBondContact O-N 3.24Š|
| 72 | K | 34.1 | Very low | 34.4 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | 68.9 | 105.9 | 179 | -138.8 | 168.3 | -173.9 | 177.3 | 0 | 113.3 | | |
| 73 | E | 32.8 | Very low | 33.7 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 71% | 0.71 | 80% | 0.798 | S | S | * | * | | | | 78.2 | 116.9 | 58.4 | -166.4 | -162.5 | 138.2 | 0 | 0 | 113.8 | | |
| 74 | N | 34 | Very low | 33.4 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 55.7 | 85.4 | 156.7 | -63.2 | -24.3 | 0 | 0 | 0 | 119.7 | | |
| 75 | S | 28.1 | Very low | 32.8 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -158.7 | 144.9 | 136.5 | -17.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 76 | L | 36.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -90.7 | 155.3 | 159.3 | -88.8 | 160.8 | 0 | 0 | 0 | 109.1 | | |
| 77 | P | 35 | Very low | 31.8 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | | | | -135.4 | 168 | 108.6 | 31.6 | -17.6 | 0 | 0 | 0 | 113.7 | | |
| 78 | K | 28.9 | Very low | 31.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 73% | 0.726 | 78% | 0.784 | S | S | * | * | | | trans | -140.7 | 110.5 | -169.6 | 176.7 | 77.1 | 170.8 | 173.8 | 0 | 110.6 | | |
| 79 | I | 31.4 | Very low | 31.3 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | | | trans | 60.8 | 129.4 | 160.2 | -58.4 | 172.4 | 0 | 0 | 0 | 117 | | |
| 80 | P | 30.1 | Very low | 32.4 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -76.6 | 124.9 | 160.4 | 32.4 | -31.6 | 0 | 0 | 0 | 110.5 | | |
| 81 | G | 30.1 | Very low | 32 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -108.5 | 148.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 82 | S | 28.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -77.5 | 162.1 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 83 | T | 29.8 | Very low | 31.7 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -34.4 | 148.8 | 158.1 | -10.2 | 0 | 0 | 0 | 0 | 112 | | |
| 84 | E | 28.3 | Very low | 31.5 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | cis | -169.6 | 161.8 | 39.8 | 58.3 | -161.3 | 79.1 | 0 | 0 | 114.6 | | |
| 85 | S | 27.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | 64.3 | 156.8 | 162.5 | 78.1 | 0 | 0 | 0 | 0 | 119 | | |
| 86 | S | 28.3 | Very low | 31.4 | Very low | 89 Ų | 89 | 126 Ų | 126 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | cis | -154.4 | 162.2 | -36.1 | -159.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 87 | E | 27.8 | Very low | 31.3 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | 41.8 | 141.9 | 158 | -70.4 | 148.7 | 107.9 | 0 | 0 | 122.2 | | |
| 88 | G | 28.2 | Very low | 31 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -165.2 | -63 | 179.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 89 | S | 29.6 | Very low | 31 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | 68.1 | 167.4 | 179.9 | -98.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 90 | P | 59.7 | Low | 32.2 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | -100.6 | -173.5 | -156.7 | 42.1 | -37.4 | 0 | 0 | 0 | 114 | | |
| 91 | D | 27.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | | 174.3 | 166.7 | 69.9 | -129.2 | -13.8 | 0 | 0 | 0 | 108.1 | | |
| 92 | R | 34.2 | Very low | 32.1 | Very low | 209 Ų | 209 | 127.7 Ų | 127.7 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | | | cis | -169.1 | 157.8 | -1.9 | -159.6 | 167 | 170.4 | -169 | -1.2 | 110.8 | | |
| 93 | A | 29.6 | Very low | 32.4 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | | | trans | 63.8 | 157.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 94 | N | 29.3 | Very low | 32.7 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | cis | -168.2 | 167.9 | -9.5 | -100.8 | 5 | 0 | 0 | 0 | 106.7 | | |
| 95 | S | 27.4 | Very low | 32.7 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | | | cis | -167.3 | 173 | -13.4 | -97.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 96 | S | 31.2 | Very low | 33 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | 18 | 110.1 | 154.9 | 58.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 97 | L | 35.5 | Very low | 33 | Very low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | | 71.6 | 118.5 | 84.5 | -74.3 | 164.6 | 0 | 0 | 0 | 116.7 | | |
| 98 | S | 27.2 | Very low | 33 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | | 178.5 | 167.4 | 121.3 | -79.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 99 | L | 29.3 | Very low | 33.7 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -121.8 | -166.5 | -169.4 | -77.3 | 163.6 | 0 | 0 | 0 | 110.4 | | |
| 100 | P | 56.7 | Low | 33.6 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | | -136.4 | -161.3 | -56.8 | 39.9 | -22.5 | 0 | 0 | 0 | 114.3 | | |
| 101 | N | 27.5 | Very low | 32.1 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | 77.7 | 159 | 166.4 | -56.7 | -9.3 | 0 | 0 | 0 | 116.5 | | |
| 102 | S | 30.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | cis | -153.7 | -166.6 | 7.1 | -149.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 103 | R | 35.6 | Very low | 32.6 | Very low | 229 Ų | 229 | 127 Ų | 127 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | cis | -159.9 | 164.6 | 5.2 | 169.2 | 168.5 | 164.6 | 152.1 | -2.5 | 111 | | |
| 104 | N | 35.3 | Very low | 32.4 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | -73.5 | 164.1 | -177.6 | -42.4 | -9.2 | 0 | 0 | 0 | 119.6 | | |
| 105 | G | 29.7 | Very low | 32.5 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 152.2 | 126.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 106 | V | 32.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | cis | 75.7 | 122.8 | 42.8 | 178.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 107 | A | 28.5 | Very low | 32.8 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | cis | -164.5 | -180 | -12.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 108 | E | 29 | Very low | 33.1 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -34.9 | 166.6 | 170.1 | -85.4 | -78.3 | 112.8 | 0 | 0 | 118.8 | | |
| 109 | P | 43 | Very low | 33 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | | | cis | -144.5 | 167.6 | 24.8 | 41.3 | -20.6 | 0 | 0 | 0 | 121.9 | | |
| 110 | S | 27.5 | Very low | 33.1 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | trans | -4.5 | 137 | 153.1 | -172.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 111 | S | 27.7 | Very low | 31.9 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | 176.5 | 166.3 | 116.1 | 42.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 112 | T | 33 | Very low | 32 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -102.3 | -175.9 | -178.4 | 58.1 | 0 | 0 | 0 | 0 | 111 | | |
| 113 | P | 38.8 | Very low | 32.3 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | cis | -146.5 | -161.6 | 11.9 | 40.2 | -15.5 | 0 | 0 | 0 | 117.2 | | |
| 114 | S | 26.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 96.4 | 116.3 | 146.7 | -66.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 115 | T | 30.4 | Very low | 32.1 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | | | trans | -45.5 | 140.5 | 164.3 | -49.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 116 | S | 30 | Very low | 32.5 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -161.6 | 144.2 | 138.1 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 117 | T | 34.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -114 | -163.9 | 165 | 56.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 118 | P | 42 | Very low | 32.9 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | cis | -138.2 | 173.7 | -6.8 | 42.9 | -25.8 | 0 | 0 | 0 | 116.4 | | |
| 119 | S | 25.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 172.2 | 153.3 | 142.8 | -87 | 0 | 0 | 0 | 0 | 111.1 | | |
| 120 | T | 31.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | | | cis | -166.1 | 141 | -27.2 | 24.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 121 | K | 32.9 | Very low | 33.5 | Very low | 164 Ų | 164 | 126 Ų | 126 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | 63.2 | 162.9 | 154.3 | -67.5 | 168.9 | 152.4 | -76.8 | 0 | 118.2 | | |
| 122 | E | 29.7 | Very low | 33.6 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 59% | 0.589 | 75% | 0.749 | S | S | * | * | | | cis | -173.2 | 145.6 | -37.8 | 66.3 | -152.4 | 148.9 | 0 | 0 | 106.8 | | |
| 123 | H | 36 | Very low | 33.9 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | cis | -143.1 | 171.5 | -13.4 | -81.5 | -54.2 | 0 | 0 | 0 | 106.5 | | |
| 124 | G | 33.7 | Very low | 33.9 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | | | cis | 124.8 | 102.8 | 4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 125 | N | 32 | Very low | 34.4 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | | | trans | -152.8 | 156.2 | 170.3 | -109 | -58.5 | 0 | 0 | 0 | 112.3 | | |
| 126 | M | 38.9 | Very low | 34.6 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 154.7 | -159.9 | -86.6 | 72.1 | 73.7 | 0 | 0 | 117.4 | | |
| 127 | P | 35.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 167.9 | 137.4 | 36 | -31 | 0 | 0 | 0 | 112.7 | | |
| 128 | I | 33.8 | Very low | 34.8 | Very low | 160 Ų | 160 | 129 Ų | 129 | 82% | 0.821 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 136.7 | -163.3 | -67.5 | 160.4 | 0 | 0 | 0 | 113.9 | V130 | I128-V130 PolarHBondContact O-N 3.36Š|
| 129 | V | 39.3 | Very low | 34 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | | | trans | -72.1 | 109 | 166.1 | 178 | 0 | 0 | 0 | 0 | 109.7 | P131 | V129-P131 WeakPolarHBondContact O-CD 3.49Š|
| 130 | V | 32.5 | Very low | 34.4 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | | | trans | -82.4 | 124.2 | 157 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | I128 M132 | I128-V130 PolarHBondContact O-N 3.36Å; V130-M132 HydrophobicContact CG1-CE 3.8Å; V130-M132 PolarHBondContact O-N 3.37Å |
| 131 | P | 39.7 | Very low | 34.5 | Very low | 103 Ų | 103 | 130 Ų | 130 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | | | trans | -67.6 | 85.2 | 169.6 | -19.4 | 33.7 | 0 | 0 | 0 | 110.1 | V129 I133 | V129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-I133 PolarHBondContact O-N 3.24Å |
| 132 | M | 29.8 | Very low | 34.7 | Very low | 153 Ų | 153 | 127 Ų | 127 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | trans | -66.1 | 82.2 | 160.2 | -77.1 | -72 | 101.9 | 0 | 0 | 107.9 | V130 P134 | V130-M132 HydrophobicContact CG1-CE 3.8Å; V130-M132 PolarHBondContact O-N 3.37Å; M132-P134 WeakPolarHBondContact O-CD 3.36Å; M132-P134 VanDerWaalsContact O-N 3.08Å |
| 133 | I | 38.5 | Very low | 35.3 | Very low | 145 Ų | 145 | 126 Ų | 126 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | | | trans | -49.5 | 114.8 | 158.6 | -62.8 | 172.1 | 0 | 0 | 0 | 105.1 | P131 | P131-I133 PolarHBondContact O-N 3.24Š|
| 134 | P | 39.5 | Very low | 35.9 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | | | trans | -55.6 | 135.9 | 176.1 | -23.7 | 34.4 | 0 | 0 | 0 | 108 | M132 | M132-P134 WeakPolarHBondContact O-CD 3.36Å; M132-P134 VanDerWaalsContact O-N 3.08Å |
| 135 | P | 37.3 | Very low | 36.6 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -48.1 | 124.8 | 169.9 | -22.5 | 31.8 | 0 | 0 | 0 | 106.5 | L137 | P135-L137 VanDerWaalsContact C-N 3.32Å; P135-L137 PolarHBondContact O-N 2.84Å |
| 136 | P | 33 | Very low | 37.6 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | | | trans | -58.3 | 100.3 | -156.4 | 19.1 | -32.6 | 0 | 0 | 0 | 109.2 | I138 | P136-I138 PolarHBondContact O-N 3.01Š|
| 137 | L | 33.6 | Very low | 38.5 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | | | trans | -75.1 | 80.6 | 174.6 | -158.3 | 77.9 | 0 | 0 | 0 | 104 | P135 K139 | P135-L137 VanDerWaalsContact C-N 3.32Å; P135-L137 PolarHBondContact O-N 2.84Å; L137-K139 PolarHBondContact O-N 2.89Å |
| 138 | I | 36.2 | Very low | 39.9 | Very low | 143 Ų | 143 | 123.9 Ų | 123.9 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | | | trans | -60 | 75.2 | 148 | -52.5 | 176 | 0 | 0 | 0 | 104.1 | P136 P140 | P136-I138 PolarHBondContact O-N 3.01Å; I138-P140 VanDerWaalsContact C-N 3.33Å; I138-P140 VanDerWaalsContact O-CD 3.27Å; I138-P140 WeakPolarHBondContact O-CD 3.38Å |
| 139 | K | 25.4 | Very low | 42.1 | Very low | 163 Ų | 163 | 119.9 Ų | 119.9 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | | | trans | -42.9 | 108.9 | 148.8 | -178.4 | 174.5 | -174.4 | 176.4 | 0 | 102.5 | L137 P141 | L137-K139 PolarHBondContact O-N 2.89Å; K139-P141 VanDerWaalsContact O-N 3.09Å |
| 140 | P | 33.2 | Very low | 44.5 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | | | trans | -52.7 | 128.6 | 174.2 | 23.7 | -31.9 | 0 | 0 | 0 | 104.6 | I138 A142 | I138-P140 VanDerWaalsContact C-N 3.33Å; I138-P140 VanDerWaalsContact O-CD 3.27Å; I138-P140 WeakPolarHBondContact O-CD 3.38Å; P140-A142 PolarHBondContact O-N 3.23Å; P140-A142 VanDerWaalsContact O-N 3.17Å |
| 141 | P | 34.2 | Very low | 47.4 | Very low | 86 Ų | 86 | 117.3 Ų | 117.3 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | | | trans | -50.7 | 132.9 | 175.7 | 20.9 | -31.1 | 0 | 0 | 0 | 106.7 | K139 D143 | K139-P141 VanDerWaalsContact O-N 3.09Å; P141-D143 HydrophobicContact CB-CB 4.37Å; P141-D143 WeakPolarHBondContact CB-OD2 3.39Å; P141-D143 PolarHBondContact O-N 3.11Å |
| 142 | A | 36.8 | Very low | 50 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 84% | 0.835 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -71.2 | 14.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P140 E144 | P140-A142 PolarHBondContact O-N 3.23Å; P140-A142 VanDerWaalsContact O-N 3.17Å; A142-E144 VanDerWaalsContact C-N 3.33Å; A142-E144 PolarHBondContact O-N 3.36Å; A142-E144 VanDerWaalsContact O-N 3.16Å |
| 143 | D | 42.9 | Very low | 53.2 | Low | 106 Ų | 106 | 110.9 Ų | 110.9 | 57% | 0.567 | 62% | 0.615 | S | S | * | * | | | trans | -77.4 | 80.6 | 166.2 | -48.4 | -47.3 | 0 | 0 | 0 | 107.9 | P141 D145 T146 | P141-D143 HydrophobicContact CB-CB 4.37Å; P141-D143 WeakPolarHBondContact CB-OD2 3.39Å; P141-D143 PolarHBondContact O-N 3.11Å; D143-D145 CarbonylContact O-C 3.48Å; D143-D145 PolarHBondContact O-N 2.73Å; D143-D145 VanDerWaalsContact O-N 3.15Å; D143-T146 PolarHBondContact O-N 2.79Å |
| 144 | E | 47.6 | Very low | 55.8 | Low | 185 Ų | 185 | 106.4 Ų | 106.4 | 86% | 0.864 | 60% | 0.6 | S | S | * | * | | | trans | -57.9 | -14.6 | 161.4 | -95.3 | -80.2 | 99.2 | 0 | 0 | 111.3 | A142 T146 | A142-E144 VanDerWaalsContact C-N 3.33Å; A142-E144 PolarHBondContact O-N 3.36Å; A142-E144 VanDerWaalsContact O-N 3.16Å; E144-T146 PolarHBondContact O-N 3.14Å |
| 145 | D | 48.3 | Very low | 58.5 | Low | 130 Ų | 130 | 107.7 Ų | 107.7 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | | | trans | -63.8 | 55.5 | 147.8 | -77.3 | -64.5 | 0 | 0 | 0 | 112.5 | D143 L147 | D143-D145 CarbonylContact O-C 3.48Å; D143-D145 PolarHBondContact O-N 2.73Å; D143-D145 VanDerWaalsContact O-N 3.15Å; D145-L147 PolarHBondContact O-N 3.24Å |
| 146 | T | 53.6 | Low | 61.3 | Low | 88 Ų | 88 | 103.8 Ų | 103.8 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | | | trans | -62.5 | 86 | 142.2 | -68.5 | 0 | 0 | 0 | 0 | 105.4 | D143 E144 N148 | D143-T146 PolarHBondContact O-N 2.79Å; E144-T146 PolarHBondContact O-N 3.14Å; T146-N148 PolarHBondContact O-N 2.7Å |
| 147 | L | 58.2 | Low | 64.3 | Low | 118 Ų | 118 | 105.7 Ų | 105.7 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | | | trans | -34.3 | 137 | -174 | -68.5 | 170.7 | 0 | 0 | 0 | 110.2 | D145 V149 | D145-L147 PolarHBondContact O-N 3.24Å; L147-V149 HydrophobicContact CB-CG2 3.71Å; L147-V149 WeakPolarHBondContact O-CG2 3.27Å; L147-V149 PolarHBondContact O-N 3.33Å |
| 148 | N | 64.1 | Low | 67.2 | Low | 121 Ų | 121 | 104.4 Ų | 104.4 | 65% | 0.647 | 56% | 0.555 | S | S | * | * | | | trans | -71 | 40.7 | -179.6 | -78.5 | -11.6 | 0 | 0 | 0 | 112.8 | T146 Q150 V161 | T146-N148 PolarHBondContact O-N 2.7Å; N148-Q150 PolarHBondContact O-N 2.96Å; N148-Q150 VanDerWaalsContact O-N 3.12Å; N148-V161 HydrophobicContact CB-CG1 3.97Å; N148-V161 HydrophobicContact CB-CG2 4.1Å |
| 149 | V | 80.3 | Confident | 69.9 | Low | 75 Ų | 75 | 101.9 Ų | 101.9 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | | | trans | -47.7 | 117.2 | -176.9 | -176.4 | 0 | 0 | 0 | 0 | 109 | L147 I151 K162 | L147-V149 HydrophobicContact CB-CG2 3.71Å; L147-V149 WeakPolarHBondContact O-CG2 3.27Å; L147-V149 PolarHBondContact O-N 3.33Å; V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 HydrophobicContact CG1-CG2 4.05Å; V149-I151 PolarHBondContact O-N 3.31Å; V149-K162 HydrophobicContact CB-CB 4.47Å; V149-K162 PolarHBondContact O-N 2.89Å |
| 150 | Q | 89.9 | Confident | 73.1 | Confident | 147 Ų | 147 | 94.9 Ų | 94.9 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 87.4 | -177.2 | -171.3 | 143.5 | 54.7 | 0 | 0 | 108.9 | N148 V159 G160 | N148-Q150 PolarHBondContact O-N 2.96Å; N148-Q150 VanDerWaalsContact O-N 3.12Å; Q150-V159 HydrophobicContact CG-CG1 3.21Å; Q150-G160 CarbonylContact C-O 3.55Å; Q150-G160 WeakPolarHBondContact CA-O 3.21Å |
| 151 | I | 93.1 | Very high | 75.9 | Confident | 22 Ų | 22 | 92 Ų | 92 | 11% | 0.113 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 154.7 | -178.2 | 54.5 | 161.2 | 0 | 0 | 0 | 111.7 | V149 C153 V159 G160 K162 S174 | V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 HydrophobicContact CG1-CG2 4.05Å; V149-I151 PolarHBondContact O-N 3.31Å; I151-C153 PolarHBondContact O-N 3.32Å; I151-V159 CarbonylContact O-C 3.2Å; I151-V159 VanDerWaalsContact O-CA 3.32Å; I151-V159 WeakPolarHBondContact O-CA 3.3Å; I151-G160 WeakPolarHBondContact CG1-O 3.2Å; I151-G160 PolarHBondContact N-O 3.31Å; I151-G160 PolarHBondContact O-N 3.48Å; I151-K162 HydrophobicContact CD1-CB 4.04Å; I151-K162 HydrophobicContact CD1-CG 4.33Å; I151-K162 HydrophobicContact CG1-CB 4.15Å; I151-K162 HydrophobicContact CG2-CB 3.93Å; I151-K162 HydrophobicContact CG2-CG 4.4Å; I151-S174 VanDerWaalsContact CD1-C 3.48Å |
| 152 | M | 95.3 | Very high | 78.7 | Confident | 120 Ų | 120 | 91 Ų | 91 | 59% | 0.591 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114.6 | 153 | -69.8 | -63.5 | -77.8 | 0 | 0 | 108.6 | A154 Q157 V159 | M152-A154 PolarHBondContact O-N 3.49Å; M152-Q157 VanDerWaalsContact CE-O 3.22Å; M152-Q157 WeakPolarHBondContact CE-O 3.15Å; M152-V159 HydrophobicContact SD-CB 4.48Å; M152-V159 HydrophobicContact SD-CG2 3.52Å; M152-V159 VanDerWaalsContact SD-CG2 3.52Å |
| 153 | C | 95.4 | Very high | 81.3 | Confident | 1 Ų | 1 | 93.9 Ų | 93.9 | 1% | 0.007 | 48% | 0.476 | C | S | . | . | | | trans | -68 | 117.5 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | I151 W155 C156 Q157 K158 C176 | I151-C153 PolarHBondContact O-N 3.32Å; C153-W155 PolarHBondContact O-N 3.06Å; C153-C156 PolarHBondContact O-N 2.9Å; C153-C156 VanDerWaalsContact SG-SG 3.67Å; C153-Q157 VanDerWaalsContact O-CA 3.27Å; C153-Q157 WeakPolarHBondContact O-CA 3.49Å; C153-Q157 PolarHBondContact O-N 3.28Å; C153-K158 WeakPolarHBondContact CB-O 3.31Å; C153-K158 PolarHBondContact N-O 3.37Å; C153-C176 HydrophobicContact CB-CB 4.03Å; C153-C176 VanDerWaalsContact SG-SG 3.67Å |
| 154 | A | 94.9 | Very high | 83.7 | Confident | 50 Ų | 50 | 92.9 Ų | 92.9 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -7.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | M152 K173 S174 F175 | M152-A154 PolarHBondContact O-N 3.49Å; A154-K173 HydrophobicContact CB-CB 3.85Å; A154-K173 HydrophobicContact CB-CD 4.34Å; A154-K173 HydrophobicContact CB-CG 4.47Å; A154-S174 PolarHBondContact N-O 2.79Å; A154-F175 HydrophobicContact CB-CD1 4.46Å; A154-F175 HydrophobicContact CB-CE1 3.96Å; A154-F175 HydrophobicContact CB-CZ 4.37Å |
| 155 | W | 95.6 | Very high | 85.9 | Confident | 120 Ų | 120 | 86.5 Ų | 86.5 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -57.5 | 172.4 | -178.7 | -100.1 | 0 | 0 | 0 | 112.5 | C153 F175 C180 A183 C184 A187 | C153-W155 PolarHBondContact O-N 3.06Å; W155-F175 HydrophobicContact CB-CD1 3.93Å; W155-F175 HydrophobicContact CB-CE1 4.07Å; W155-C180 HydrophobicContact CB-CB 3.82Å; W155-C180 HydrophobicContact CG-CB 4.2Å; W155-A183 HydrophobicContact CD2-CB 3.94Å; W155-A183 VanDerWaalsContact CE2-CB 3.43Å; W155-A183 HydrophobicContact CE3-CB 4.5Å; W155-A183 HydrophobicContact CG-CB 4.43Å; W155-A183 HydrophobicContact CH2-CB 4.2Å; W155-A183 HydrophobicContact CZ2-CB 3.6Å; W155-C184 HydrophobicContact CD2-CB 4.41Å; W155-C184 HydrophobicContact CE3-CB 3.76Å; W155-C184 HydrophobicContact CZ3-CB 4.44Å; W155-A187 HydrophobicContact CH2-CB 4.03Å; W155-A187 HydrophobicContact CZ3-CB 3.78Å |
| 156 | C | 95.8 | Very high | 88 | Confident | 33 Ų | 33 | 81.7 Ų | 81.7 | 22% | 0.223 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 3.8 | -171.6 | 74.5 | 0 | 0 | 0 | 0 | 114.6 | C153 K158 C176 | C153-C156 PolarHBondContact O-N 2.9Å; C153-C156 VanDerWaalsContact SG-SG 3.67Å; C156-K158 PolarHBondContact O-N 2.9Å; C156-K158 PolarHBondContact O-NZ 3.01Å; C156-C176 VanDerWaalsContact SG-SG 3.68Å |
| 157 | Q | 95.8 | Very high | 89.7 | Confident | 155 Ų | 155 | 81.5 Ų | 81.5 | 72% | 0.724 | 42% | 0.417 | S | S | * | . | | | trans | 50.7 | 17.3 | 179.4 | -58.7 | -168.6 | 53 | 0 | 0 | 115.8 | M152 C153 | M152-Q157 VanDerWaalsContact CE-O 3.22Å; M152-Q157 WeakPolarHBondContact CE-O 3.15Å; C153-Q157 VanDerWaalsContact O-CA 3.27Å; C153-Q157 WeakPolarHBondContact O-CA 3.49Å; C153-Q157 PolarHBondContact O-N 3.28Å |
| 158 | K | 94.3 | Very high | 91.1 | Very high | 128 Ų | 128 | 77.9 Ų | 77.9 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | | | trans | -89.8 | 140.1 | 172.8 | -85 | 165.5 | -75 | -59.1 | 0 | 110.4 | C153 C156 | C153-K158 WeakPolarHBondContact CB-O 3.31Å; C153-K158 PolarHBondContact N-O 3.37Å; C156-K158 PolarHBondContact O-N 2.9Å; C156-K158 PolarHBondContact O-NZ 3.01Å |
| 159 | V | 94.3 | Very high | 92.2 | Very high | 90 Ų | 90 | 75.2 Ų | 75.2 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 132.7 | 162.3 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | Q150 I151 M152 | Q150-V159 HydrophobicContact CG-CG1 3.21Å; I151-V159 CarbonylContact O-C 3.2Å; I151-V159 VanDerWaalsContact O-CA 3.32Å; I151-V159 WeakPolarHBondContact O-CA 3.3Å; M152-V159 HydrophobicContact SD-CB 4.48Å; M152-V159 HydrophobicContact SD-CG2 3.52Å; M152-V159 VanDerWaalsContact SD-CG2 3.52Å |
| 160 | G | 91.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 77.7 Ų | 77.7 | 16% | 0.155 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q150 I151 | Q150-G160 CarbonylContact C-O 3.55Å; Q150-G160 WeakPolarHBondContact CA-O 3.21Å; I151-G160 WeakPolarHBondContact CG1-O 3.2Å; I151-G160 PolarHBondContact N-O 3.31Å; I151-G160 PolarHBondContact O-N 3.48Å |
| 161 | V | 92.3 | Very high | 92.4 | Very high | 41 Ų | 41 | 75.8 Ų | 75.8 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132.5 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | N148 R163 C176 | N148-V161 HydrophobicContact CB-CG1 3.97Å; N148-V161 HydrophobicContact CB-CG2 4.1Å; V161-R163 HydrophobicContact CG1-CG 4.49Å; V161-R163 PolarHBondContact O-N 3.46Å; V161-C176 WeakPolarHBondContact O-CA 3.32Å |
| 162 | K | 93 | Very high | 92.3 | Very high | 65 Ų | 65 | 79.6 Ų | 79.6 | 28% | 0.283 | 43% | 0.431 | S | S | . | . | | | trans | -60.6 | 115.3 | 171.7 | -175.4 | -176.3 | 177.5 | -165.6 | 0 | 109.9 | V149 I151 | V149-K162 HydrophobicContact CB-CB 4.47Å; V149-K162 PolarHBondContact O-N 2.89Å; I151-K162 HydrophobicContact CD1-CB 4.04Å; I151-K162 HydrophobicContact CD1-CG 4.33Å; I151-K162 HydrophobicContact CG1-CB 4.15Å; I151-K162 HydrophobicContact CG2-CB 3.93Å; I151-K162 HydrophobicContact CG2-CG 4.4Å |
| 163 | R | 90.6 | Very high | 92.2 | Very high | 162 Ų | 162 | 77 Ų | 77 | 61% | 0.611 | 42% | 0.416 | S | S | * | . | | | trans | -117.7 | -24.1 | 178.2 | -69.8 | -81.5 | 177.5 | 74.9 | -4.8 | 113.1 | V161 F175 | V161-R163 HydrophobicContact CG1-CG 4.49Å; V161-R163 PolarHBondContact O-N 3.46Å; R163-F175 PolarHBondContact N-O 3.42Å |
| 164 | Y | 93 | Very high | 92.2 | Very high | 85 Ų | 85 | 78 Ų | 78 | 33% | 0.333 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 154.8 | -179.7 | -51.7 | -88.6 | 0 | 0 | 0 | 110 | F175 S177 E178 F181 | Y164-F175 PolarHBondContact N-O 2.79Å; Y164-F175 VanDerWaalsContact N-O 3.16Å; Y164-F175 PolarHBondContact O-N 3.3Å; Y164-S177 VanDerWaalsContact CD2-C 3.42Å; Y164-S177 VanDerWaalsContact CE2-C 3.41Å; Y164-E178 HydrophobicContact CE1-CB 4.29Å; Y164-E178 HydrophobicContact CE1-CG 4.34Å; Y164-E178 HydrophobicContact CE2-CB 3.88Å; Y164-F181 HydrophobicContact CD1-CD1 4.3Å; Y164-F181 HydrophobicContact CD1-CG 4.48Å; Y164-F181 HydrophobicContact CD2-CB 4.43Å; Y164-F181 HydrophobicContact CG-CB 4.06Å; Y164-F181 HydrophobicContact CG-CD1 4.45Å; Y164-F181 HydrophobicContact CG-CG 4.2Å |
| 165 | S | 93.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 75.7 Ų | 75.7 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.7 | 169.8 | 46.3 | 0 | 0 | 0 | 0 | 111.9 | K173 F181 | S165-K173 CarbonylContact C-O 3.57Å; S165-K173 WeakPolarHBondContact CA-O 3.4Å; S165-K173 WeakPolarHBondContact CB-O 3.1Å; S165-F181 WeakPolarHBondContact O-CE2 3.46Å |
| 166 | L | 91.9 | Very high | 92.3 | Very high | 28 Ų | 28 | 71.3 Ų | 71.3 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123 | -178.1 | -174.8 | 67.3 | 0 | 0 | 0 | 109.4 | M168 K173 F175 F181 R185 | L166-M168 HydrophobicContact CD2-CG 4.25Å; L166-M168 HydrophobicContact CD2-SD 3.55Å; L166-M168 VanDerWaalsContact CD2-SD 3.55Å; L166-M168 HydrophobicContact CG-CG 4.25Å; L166-M168 HydrophobicContact CG-SD 4.06Å; L166-M168 PolarHBondContact O-N 2.98Å; L166-K173 PolarHBondContact N-O 3.48Å; L166-K173 PolarHBondContact O-N 3.19Å; L166-F175 HydrophobicContact CB-CE2 3.6Å; L166-F175 HydrophobicContact CB-CZ 4.17Å; L166-F181 HydrophobicContact CB-CD2 4.16Å; L166-F181 HydrophobicContact CB-CE2 3.91Å; L166-F181 HydrophobicContact CD1-CE2 3.99Å; L166-F181 HydrophobicContact CG-CE2 4.47Å; L166-R185 HydrophobicContact CD1-CG 3.76Å; L166-R185 HydrophobicContact CD2-CG 3.56Å; L166-R185 HydrophobicContact CG-CG 4.3Å |
| 167 | S | 91.1 | Very high | 92.2 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 123 | 171.3 | -49.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 168 | M | 87.8 | Confident | 92.2 | Very high | 41 Ų | 41 | 67.5 Ų | 67.5 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 55.9 | -173.7 | -68.2 | -78.1 | -70.4 | 0 | 0 | 109.3 | L166 E171 K173 Y188 | L166-M168 HydrophobicContact CD2-CG 4.25Å; L166-M168 HydrophobicContact CD2-SD 3.55Å; L166-M168 VanDerWaalsContact CD2-SD 3.55Å; L166-M168 HydrophobicContact CG-CG 4.25Å; L166-M168 HydrophobicContact CG-SD 4.06Å; L166-M168 PolarHBondContact O-N 2.98Å; M168-E171 PolarHBondContact N-O 3.46Å; M168-K173 HydrophobicContact CB-CD 4.34Å; M168-K173 HydrophobicContact CB-CG 4.31Å; M168-K173 HydrophobicContact CG-CB 4.36Å; M168-K173 HydrophobicContact CG-CD 3.92Å; M168-K173 HydrophobicContact CG-CG 3.93Å; M168-Y188 HydrophobicContact CE-CD1 4.46Å; M168-Y188 HydrophobicContact CE-CD2 3.38Å; M168-Y188 HydrophobicContact CE-CE2 3.92Å; M168-Y188 HydrophobicContact CE-CG 3.7Å; M168-Y188 HydrophobicContact SD-CD1 3.86Å; M168-Y188 HydrophobicContact SD-CD2 3.85Å; M168-Y188 HydrophobicContact SD-CE1 4.21Å; M168-Y188 HydrophobicContact SD-CE2 4.21Å; M168-Y188 HydrophobicContact SD-CG 3.66Å |
| 169 | G | 86.4 | Confident | 92.4 | Very high | 65 Ų | 65 | 70 Ų | 70 | 67% | 0.67 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -126 | -161.5 | 0 | 0 | 0 | 0 | 0 | 110 | E171 | G169-E171 VanDerWaalsContact C-N 3.32Å; G169-E171 PolarHBondContact O-N 2.91Å |
| 170 | S | 86.3 | Confident | 92.5 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 90% | 0.895 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.9 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 171 | E | 87.7 | Confident | 92.7 | Very high | 106 Ų | 106 | 67.2 Ų | 67.2 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.1 | -176.9 | -67.4 | 178.7 | -168.5 | 0 | 0 | 112.5 | M168 G169 K173 | M168-E171 PolarHBondContact N-O 3.46Å; G169-E171 VanDerWaalsContact C-N 3.32Å; G169-E171 PolarHBondContact O-N 2.91Å; E171-K173 HydrophobicContact CB-CG 4.5Å; E171-K173 PolarHBondContact O-N 3.44Å; E171-K173 WeakPolarHBondContact OE2-CE 3.25Å; E171-K173 IonicContact OE2-NZ 2.64Å; E171-K173 PolarHBondContact OE2-NZ 3.22Å |
| 172 | L | 90.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 66.4 Ų | 66.4 | 54% | 0.539 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 101.1 | 169.7 | -173.8 | 70.5 | 0 | 0 | 0 | 110.6 | | |
| 173 | K | 93.8 | Very high | 93 | Very high | 66 Ų | 66 | 64 Ų | 64 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 137 | 179.7 | -57.3 | -162.4 | -169.6 | -118.4 | 0 | 110.5 | A154 S165 L166 M168 E171 F175 | A154-K173 HydrophobicContact CB-CB 3.85Å; A154-K173 HydrophobicContact CB-CD 4.34Å; A154-K173 HydrophobicContact CB-CG 4.47Å; S165-K173 CarbonylContact C-O 3.57Å; S165-K173 WeakPolarHBondContact CA-O 3.4Å; S165-K173 WeakPolarHBondContact CB-O 3.1Å; L166-K173 PolarHBondContact N-O 3.48Å; L166-K173 PolarHBondContact O-N 3.19Å; M168-K173 HydrophobicContact CB-CD 4.34Å; M168-K173 HydrophobicContact CB-CG 4.31Å; M168-K173 HydrophobicContact CG-CB 4.36Å; M168-K173 HydrophobicContact CG-CD 3.92Å; M168-K173 HydrophobicContact CG-CG 3.93Å; E171-K173 HydrophobicContact CB-CG 4.5Å; E171-K173 PolarHBondContact O-N 3.44Å; E171-K173 WeakPolarHBondContact OE2-CE 3.25Å; E171-K173 IonicContact OE2-NZ 2.64Å; E171-K173 PolarHBondContact OE2-NZ 3.22Å; K173-F175 HydrophobicContact CB-CE2 4.16Å; K173-F175 HydrophobicContact CB-CZ 3.84Å; K173-F175 WeakPolarHBondContact O-CE2 3.23Å |
| 174 | S | 95.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147.9 | -175.2 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | I151 A154 | I151-S174 VanDerWaalsContact CD1-C 3.48Å; A154-S174 PolarHBondContact N-O 2.79Å |
| 175 | F | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143 | -171.7 | -47.5 | -90.3 | 0 | 0 | 0 | 113.3 | A154 W155 R163 Y164 L166 K173 C180 F181 C184 | A154-F175 HydrophobicContact CB-CD1 4.46Å; A154-F175 HydrophobicContact CB-CE1 3.96Å; A154-F175 HydrophobicContact CB-CZ 4.37Å; W155-F175 HydrophobicContact CB-CD1 3.93Å; W155-F175 HydrophobicContact CB-CE1 4.07Å; R163-F175 PolarHBondContact N-O 3.42Å; Y164-F175 PolarHBondContact N-O 2.79Å; Y164-F175 VanDerWaalsContact N-O 3.16Å; Y164-F175 PolarHBondContact O-N 3.3Å; L166-F175 HydrophobicContact CB-CE2 3.6Å; L166-F175 HydrophobicContact CB-CZ 4.17Å; K173-F175 HydrophobicContact CB-CE2 4.16Å; K173-F175 HydrophobicContact CB-CZ 3.84Å; K173-F175 WeakPolarHBondContact O-CE2 3.23Å; F175-C180 HydrophobicContact CB-CB 4.1Å; F175-C180 HydrophobicContact CD1-CB 4.16Å; F175-F181 HydrophobicContact CB-CB 4.21Å; F175-F181 HydrophobicContact CD2-CB 4.12Å; F175-F181 AromaticContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CE2-CD2 4.06Å; F175-F181 HydrophobicContact CG-CB 4.13Å; F175-C184 HydrophobicContact CD1-CB 4.37Å; F175-C184 HydrophobicContact CE1-CB 3.46Å; F175-C184 VanDerWaalsContact CE1-CB 3.46Å; F175-C184 HydrophobicContact CZ-CB 3.74Å; F175-C184 VanDerWaalsContact CZ-SG 3.59Å |
| 176 | C | 95.6 | Very high | 93.3 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -83.4 | -10.5 | -178.5 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | C153 C156 V161 | C153-C176 HydrophobicContact CB-CB 4.03Å; C153-C176 VanDerWaalsContact SG-SG 3.67Å; C156-C176 VanDerWaalsContact SG-SG 3.68Å; V161-C176 WeakPolarHBondContact O-CA 3.32Å |
| 177 | S | 95 | Very high | 93.2 | Very high | 37 Ų | 37 | 64.2 Ų | 64.2 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -159.4 | 155.2 | -176.7 | 58.7 | 0 | 0 | 0 | 0 | 112 | Y164 K179 C180 F181 | Y164-S177 VanDerWaalsContact CD2-C 3.42Å; Y164-S177 VanDerWaalsContact CE2-C 3.41Å; S177-K179 PolarHBondContact O-N 3.27Å; S177-C180 WeakPolarHBondContact O-CB 3.49Å; S177-C180 PolarHBondContact O-N 2.98Å; S177-C180 PolarHBondContact OG-SG 3.46Å; S177-F181 PolarHBondContact O-N 3.39Å |
| 178 | E | 96.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 63.4 Ų | 63.4 | 33% | 0.327 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -35.5 | 178.2 | -164.3 | -168.7 | 144.1 | 0 | 0 | 111.2 | Y164 C180 F181 A182 R831 | Y164-E178 HydrophobicContact CE1-CB 4.29Å; Y164-E178 HydrophobicContact CE1-CG 4.34Å; Y164-E178 HydrophobicContact CE2-CB 3.88Å; E178-C180 PolarHBondContact O-N 2.69Å; E178-F181 PolarHBondContact O-N 3.24Å; E178-A182 VanDerWaalsContact O-CB 3.25Å; E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 3.31Å; E178-R831 IonicContact OE1-CZ 3.33Å; E178-R831 IonicContact OE1-NH1 3.81Å; E178-R831 PolarHBondContact OE1-NH1 3.31Å; E178-R831 IonicContact OE1-NH2 2.89Å; E178-R831 IonicContact OE2-CZ 2.69Å; E178-R831 IonicContact OE2-NH1 3.79Å; E178-R831 PolarHBondContact OE2-NH1 3.03Å; E178-R831 IonicContact OE2-NH2 2.78Å; E178-R831 PolarHBondContact OE2-NH2 3.08Å |
| 179 | K | 96.5 | Very high | 92.9 | Very high | 180 Ų | 180 | 67.4 Ų | 67.4 | 78% | 0.783 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55.3 | -41.7 | 174.1 | -65 | -177.1 | -180 | 179.7 | 0 | 111.4 | S177 A183 | S177-K179 PolarHBondContact O-N 3.27Å; K179-A183 WeakPolarHBondContact O-CB 3.25Å; K179-A183 PolarHBondContact O-N 3Å; K179-A183 VanDerWaalsContact O-N 3.14Å |
| 180 | C | 96.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.7 | -45.6 | 177 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | W155 F175 S177 E178 A183 C184 | W155-C180 HydrophobicContact CB-CB 3.82Å; W155-C180 HydrophobicContact CG-CB 4.2Å; F175-C180 HydrophobicContact CB-CB 4.1Å; F175-C180 HydrophobicContact CD1-CB 4.16Å; S177-C180 WeakPolarHBondContact O-CB 3.49Å; S177-C180 PolarHBondContact O-N 2.98Å; S177-C180 PolarHBondContact OG-SG 3.46Å; E178-C180 PolarHBondContact O-N 2.69Å; C180-A183 PolarHBondContact O-N 3.25Å; C180-C184 WeakPolarHBondContact O-CB 3.36Å; C180-C184 PolarHBondContact O-N 2.91Å |
| 181 | F | 96.8 | Very high | 92.4 | Very high | 37 Ų | 37 | 74 Ų | 74 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61 | -49.5 | 177.3 | 171.2 | -109.4 | 0 | 0 | 0 | 112.2 | Y164 S165 L166 F175 S177 E178 A183 C184 R185 | Y164-F181 HydrophobicContact CD1-CD1 4.3Å; Y164-F181 HydrophobicContact CD1-CG 4.48Å; Y164-F181 HydrophobicContact CD2-CB 4.43Å; Y164-F181 HydrophobicContact CG-CB 4.06Å; Y164-F181 HydrophobicContact CG-CD1 4.45Å; Y164-F181 HydrophobicContact CG-CG 4.2Å; S165-F181 WeakPolarHBondContact O-CE2 3.46Å; L166-F181 HydrophobicContact CB-CD2 4.16Å; L166-F181 HydrophobicContact CB-CE2 3.91Å; L166-F181 HydrophobicContact CD1-CE2 3.99Å; L166-F181 HydrophobicContact CG-CE2 4.47Å; F175-F181 HydrophobicContact CB-CB 4.21Å; F175-F181 HydrophobicContact CD2-CB 4.12Å; F175-F181 AromaticContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CE2-CD2 4.06Å; F175-F181 HydrophobicContact CG-CB 4.13Å; S177-F181 PolarHBondContact O-N 3.39Å; E178-F181 PolarHBondContact O-N 3.24Å; F181-A183 PolarHBondContact O-N 3.47Å; F181-C184 PolarHBondContact O-N 3.42Å; F181-R185 HydrophobicContact CE2-CG 4.41Å; F181-R185 HydrophobicContact CZ-CG 4.48Å; F181-R185 WeakPolarHBondContact O-CG 3.39Å; F181-R185 PolarHBondContact O-N 3.07Å |
| 182 | A | 96.6 | Very high | 91.5 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67 | -36 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E178 R186 | E178-A182 VanDerWaalsContact O-CB 3.25Å; E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 3.31Å; A182-R186 WeakPolarHBondContact O-CG 3.11Å; A182-R186 PolarHBondContact O-N 2.76Å |
| 183 | A | 95.2 | Very high | 90.1 | Very high | 14 Ų | 14 | 74.6 Ų | 74.6 | 12% | 0.116 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W155 K179 C180 F181 R186 A187 | W155-A183 HydrophobicContact CD2-CB 3.94Å; W155-A183 VanDerWaalsContact CE2-CB 3.43Å; W155-A183 HydrophobicContact CE3-CB 4.5Å; W155-A183 HydrophobicContact CG-CB 4.43Å; W155-A183 HydrophobicContact CH2-CB 4.2Å; W155-A183 HydrophobicContact CZ2-CB 3.6Å; K179-A183 WeakPolarHBondContact O-CB 3.25Å; K179-A183 PolarHBondContact O-N 3Å; K179-A183 VanDerWaalsContact O-N 3.14Å; C180-A183 PolarHBondContact O-N 3.25Å; F181-A183 PolarHBondContact O-N 3.47Å; A183-R186 PolarHBondContact O-N 2.74Å; A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 3.02Å |
| 184 | C | 94.4 | Very high | 87.9 | Confident | 11 Ų | 11 | 77 Ų | 77 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.5 | -170.3 | 0 | 0 | 0 | 0 | 112.3 | W155 F175 C180 F181 R186 A187 Y188 | W155-C184 HydrophobicContact CD2-CB 4.41Å; W155-C184 HydrophobicContact CE3-CB 3.76Å; W155-C184 HydrophobicContact CZ3-CB 4.44Å; F175-C184 HydrophobicContact CD1-CB 4.37Å; F175-C184 HydrophobicContact CE1-CB 3.46Å; F175-C184 VanDerWaalsContact CE1-CB 3.46Å; F175-C184 HydrophobicContact CZ-CB 3.74Å; F175-C184 VanDerWaalsContact CZ-SG 3.59Å; C180-C184 WeakPolarHBondContact O-CB 3.36Å; C180-C184 PolarHBondContact O-N 2.91Å; F181-C184 PolarHBondContact O-N 3.42Å; C184-R186 PolarHBondContact O-N 3.04Å; C184-A187 PolarHBondContact O-N 3.44Å; C184-Y188 WeakPolarHBondContact O-CB 3.49Å; C184-Y188 PolarHBondContact O-N 3.32Å |
| 185 | R | 94.7 | Very high | 85.9 | Confident | 108 Ų | 108 | 84.1 Ų | 84.1 | 41% | 0.408 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.5 | -48.7 | 173.6 | -75 | -174.9 | 72.2 | -172.5 | 2.5 | 112.1 | L166 F181 A187 Y188 F189 | L166-R185 HydrophobicContact CD1-CG 3.76Å; L166-R185 HydrophobicContact CD2-CG 3.56Å; L166-R185 HydrophobicContact CG-CG 4.3Å; F181-R185 HydrophobicContact CE2-CG 4.41Å; F181-R185 HydrophobicContact CZ-CG 4.48Å; F181-R185 WeakPolarHBondContact O-CG 3.39Å; F181-R185 PolarHBondContact O-N 3.07Å; R185-A187 PolarHBondContact O-N 3.48Å; R185-Y188 PolarHBondContact O-N 3.31Å; R185-F189 HydrophobicContact CB-CE2 4.47Å; R185-F189 WeakPolarHBondContact O-CD2 3.16Å; R185-F189 PolarHBondContact O-N 2.93Å |
| 186 | R | 94 | Very high | 83.6 | Confident | 168 Ų | 168 | 90.9 Ų | 90.9 | 63% | 0.634 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 178.5 | -75 | -175.4 | -65.6 | -105.6 | 0.9 | 112.3 | A182 A183 C184 F189 K190 | A182-R186 WeakPolarHBondContact O-CG 3.11Å; A182-R186 PolarHBondContact O-N 2.76Å; A183-R186 PolarHBondContact O-N 2.74Å; C184-R186 PolarHBondContact O-N 3.04Å; R186-F189 PolarHBondContact O-N 2.89Å; R186-K190 PolarHBondContact O-N 3.15Å |
| 187 | A | 91.4 | Very high | 81.2 | Confident | 45 Ų | 45 | 93.2 Ų | 93.2 | 37% | 0.372 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W155 A183 C184 R185 K190 R191 | W155-A187 HydrophobicContact CH2-CB 4.03Å; W155-A187 HydrophobicContact CZ3-CB 3.78Å; A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 3.02Å; C184-A187 PolarHBondContact O-N 3.44Å; R185-A187 PolarHBondContact O-N 3.48Å; A187-K190 PolarHBondContact O-N 3.34Å; A187-R191 PolarHBondContact O-N 3.04Å |
| 188 | Y | 87.2 | Confident | 78.6 | Confident | 67 Ų | 67 | 94.3 Ų | 94.3 | 26% | 0.263 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.3 | -175.3 | -124.6 | 0 | 0 | 0 | 112.2 | M168 C184 R185 K190 R191 N192 | M168-Y188 HydrophobicContact CE-CD1 4.46Å; M168-Y188 HydrophobicContact CE-CD2 3.38Å; M168-Y188 HydrophobicContact CE-CE2 3.92Å; M168-Y188 HydrophobicContact CE-CG 3.7Å; M168-Y188 HydrophobicContact SD-CD1 3.86Å; M168-Y188 HydrophobicContact SD-CD2 3.85Å; M168-Y188 HydrophobicContact SD-CE1 4.21Å; M168-Y188 HydrophobicContact SD-CE2 4.21Å; M168-Y188 HydrophobicContact SD-CG 3.66Å; C184-Y188 WeakPolarHBondContact O-CB 3.49Å; C184-Y188 PolarHBondContact O-N 3.32Å; R185-Y188 PolarHBondContact O-N 3.31Å; Y188-K190 PolarHBondContact O-N 3.25Å; Y188-R191 PolarHBondContact O-N 3.03Å; Y188-N192 WeakPolarHBondContact CE2-OD1 3.38Å; Y188-N192 PolarHBondContact O-N 2.91Å; Y188-N192 PolarHBondContact OH-ND2 3.28Å |
| 189 | F | 84.4 | Confident | 76.2 | Confident | 126 Ų | 126 | 94.9 Ų | 94.9 | 55% | 0.553 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 174 | -73.1 | -61.7 | 0 | 0 | 0 | 112.6 | R185 R186 R191 N192 K193 | R185-F189 HydrophobicContact CB-CE2 4.47Å; R185-F189 WeakPolarHBondContact O-CD2 3.16Å; R185-F189 PolarHBondContact O-N 2.93Å; R186-F189 PolarHBondContact O-N 2.89Å; F189-R191 VanDerWaalsContact C-N 3.32Å; F189-R191 PolarHBondContact O-N 3.39Å; F189-N192 PolarHBondContact O-N 3.45Å; F189-K193 WeakPolarHBondContact O-CB 3.36Å; F189-K193 PolarHBondContact O-N 3.05Å |
| 190 | K | 85.4 | Confident | 73.5 | Confident | 136 Ų | 136 | 94.3 Ų | 94.3 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.2 | -41.2 | 173.2 | -169.5 | 174 | 179 | 179.2 | 0 | 111.1 | R186 A187 Y188 E246 | R186-K190 PolarHBondContact O-N 3.15Å; A187-K190 PolarHBondContact O-N 3.34Å; Y188-K190 PolarHBondContact O-N 3.25Å; K190-E246 IonicContact NZ-OE1 3.31Å; K190-E246 PolarHBondContact NZ-OE1 2.88Å |
| 191 | R | 75.9 | Confident | 70.9 | Confident | 196 Ų | 196 | 97.8 Ų | 97.8 | 74% | 0.74 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.1 | -33.1 | -179.6 | -166.5 | 178 | -174.1 | 112 | 0.2 | 114.3 | A187 Y188 F189 T194 | A187-R191 PolarHBondContact O-N 3.04Å; Y188-R191 PolarHBondContact O-N 3.03Å; F189-R191 VanDerWaalsContact C-N 3.32Å; F189-R191 PolarHBondContact O-N 3.39Å; R191-T194 PolarHBondContact O-OG1 3.48Å |
| 192 | N | 70.3 | Confident | 67.8 | Low | 36 Ų | 36 | 99.8 Ų | 99.8 | 19% | 0.193 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -78 | -36.3 | 176.7 | -76 | 13.1 | 0 | 0 | 0 | 111.8 | Y188 F189 T194 R195 D196 | Y188-N192 WeakPolarHBondContact CE2-OD1 3.38Å; Y188-N192 PolarHBondContact O-N 2.91Å; Y188-N192 PolarHBondContact OH-ND2 3.28Å; F189-N192 PolarHBondContact O-N 3.45Å; N192-T194 PolarHBondContact O-N 2.98Å; N192-T194 VanDerWaalsContact O-N 3.15Å; N192-R195 PolarHBondContact O-N 3.37Å; N192-D196 PolarHBondContact O-N 3.41Å |
| 193 | K | 60.7 | Low | 65 | Low | 185 Ų | 185 | 108.4 Ų | 108.4 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.6 | -26.7 | 176.7 | -170.8 | 171.9 | -179 | -179.8 | 0 | 113.1 | F189 | F189-K193 WeakPolarHBondContact O-CB 3.36Å; F189-K193 PolarHBondContact O-N 3.05Å |
| 194 | T | 48.3 | Very low | 61.9 | Low | 115 Ų | 115 | 115.7 Ų | 115.7 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -1.7 | 173.9 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | R191 N192 | R191-T194 PolarHBondContact O-OG1 3.48Å; N192-T194 PolarHBondContact O-N 2.98Å; N192-T194 VanDerWaalsContact O-N 3.15Å |
| 195 | R | 52.9 | Low | 59.1 | Low | 173 Ų | 173 | 120.9 Ų | 120.9 | 65% | 0.653 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -30 | -176.3 | -161.5 | -176.2 | 67.6 | -169.9 | -0.6 | 113.6 | N192 G197 | N192-R195 PolarHBondContact O-N 3.37Å; R195-G197 PolarHBondContact O-N 2.96Å |
| 196 | D | 48.3 | Very low | 56.2 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -10.5 | 177.7 | -84.9 | -110.3 | 0 | 0 | 0 | 113.9 | N192 G198 | N192-D196 PolarHBondContact O-N 3.41Å; D196-G198 PolarHBondContact O-N 3.16Å |
| 197 | G | 45.6 | Very low | 53.1 | Low | 79 Ų | 79 | 128.1 Ų | 128.1 | 81% | 0.814 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 14.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | R195 | R195-G197 PolarHBondContact O-N 2.96Š|
| 198 | G | 40.2 | Very low | 50 | Low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | | | trans | -130.3 | 47.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D196 L200 | D196-G198 PolarHBondContact O-N 3.16Å; G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 2.93Å |
| 199 | G | 45 | Very low | 47.1 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | | | trans | -78.2 | 41.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 200 | L | 39.1 | Very low | 44.3 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -131.8 | 133.4 | 171.5 | -74.6 | 176.4 | 0 | 0 | 0 | 111.2 | G198 G202 | G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 2.93Å; L200-G202 PolarHBondContact O-N 3.48Å |
| 201 | G | 42.3 | Very low | 42.1 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -89.9 | 101.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 202 | G | 31.1 | Very low | 39.5 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -88.7 | 125.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L200 | L200-G202 PolarHBondContact O-N 3.48Š|
| 203 | K | 39.2 | Very low | 37.6 | Very low | 204 Ų | 204 | 140 Ų | 140 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -93.3 | 119.1 | 174.8 | -52.1 | 177.9 | -160.8 | -72.9 | 0 | 109.2 | | |
| 204 | L | 30.1 | Very low | 36.5 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -148 | 148.9 | 173 | -150 | 63 | 0 | 0 | 0 | 110 | | |
| 205 | P | 34.9 | Very low | 35.7 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -66.6 | 149.3 | -162.7 | -26.3 | 37 | 0 | 0 | 0 | 116.2 | H207 | P205-H207 PolarHBondContact O-N 3.26Å; P205-H207 VanDerWaalsContact O-N 3.16Å |
| 206 | R | 33.7 | Very low | 35 | Very low | 250 Ų | 250 | 142.5 Ų | 142.5 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | | | trans | -70.8 | 100.6 | 165.4 | -74.9 | 175.8 | 165.6 | 161.9 | -5.4 | 109.5 | | |
| 207 | H | 28.2 | Very low | 34.2 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | | | trans | -67.3 | 139.4 | 164.2 | -161.7 | -79.1 | 0 | 0 | 0 | 109.9 | P205 | P205-H207 PolarHBondContact O-N 3.26Å; P205-H207 VanDerWaalsContact O-N 3.16Å |
| 208 | V | 27.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 66% | 0.655 | 82% | 0.82 | S | S | * | * | | | trans | -67 | 136.7 | -177.8 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | T210 | V208-T210 PolarHBondContact O-N 2.88Š|
| 209 | F | 26.5 | Very low | 33.4 | Very low | 202 Ų | 202 | 154.7 Ų | 154.7 | 89% | 0.886 | 83% | 0.833 | S | S | * | * | | | trans | -84.7 | 100.6 | 165.4 | -114 | -90.2 | 0 | 0 | 0 | 108.3 | | |
| 210 | T | 26.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | -71.4 | 128.1 | 163 | 34.4 | 0 | 0 | 0 | 0 | 109 | V208 | V208-T210 PolarHBondContact O-N 2.88Š|
| 211 | Q | 37.8 | Very low | 32.8 | Very low | 196 Ų | 196 | 155.7 Ų | 155.7 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | | | trans | -79.3 | 120 | 164.6 | -66.5 | -178 | 4.4 | 0 | 0 | 107.7 | | |
| 212 | D | 23.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 157 Ų | 157 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -134.5 | 145.5 | 159.7 | -155.1 | -21.5 | 0 | 0 | 0 | 109 | | |
| 213 | A | 30.1 | Very low | 33.7 | Very low | 74 Ų | 74 | 157.2 Ų | 157.2 | 61% | 0.612 | 80% | 0.802 | S | S | * | * | | | trans | -118.8 | 98 | -166.1 | 0 | 0 | 0 | 0 | 0 | 110 | R215 | A213-R215 PolarHBondContact O-N 3.41Š|
| 214 | P | 36.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -66.8 | 99.4 | -179.2 | 26.8 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 215 | R | 32.5 | Very low | 36.3 | Very low | 232 Ų | 232 | 146.1 Ų | 146.1 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | | | trans | -64.6 | 146.2 | 168.8 | -68.5 | -176.6 | 176.7 | -118.8 | 0.9 | 109.3 | A213 V217 | A213-R215 PolarHBondContact O-N 3.41Å; R215-V217 PolarHBondContact O-N 3.38Å |
| 216 | L | 37.3 | Very low | 38.4 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | | | trans | -58.4 | 127.1 | -172.6 | -82.9 | 67.1 | 0 | 0 | 0 | 112.2 | | |
| 217 | V | 32.3 | Very low | 41 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 84% | 0.836 | 69% | 0.693 | S | S | * | * | | | trans | -107.6 | 152.6 | 150.3 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | R215 | R215-V217 PolarHBondContact O-N 3.38Š|
| 218 | F | 28.3 | Very low | 43.8 | Very low | 192 Ų | 192 | 125.4 Ų | 125.4 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | | | trans | -69.4 | 151.9 | -152 | -72 | -96.8 | 0 | 0 | 0 | 116.5 | T220 | F218-T220 PolarHBondContact O-N 2.73Å; F218-T220 VanDerWaalsContact O-N 3.07Å |
| 219 | K | 40.6 | Very low | 46.8 | Very low | 207 Ų | 207 | 124.4 Ų | 124.4 | 90% | 0.9 | 65% | 0.652 | S | S | * | * | | | trans | -58.8 | 96.4 | 172.1 | 175.4 | -163.9 | 171.8 | -175.4 | 0 | 112.5 | | |
| 220 | T | 40 | Very low | 49.8 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | | | trans | -144.5 | 131.9 | 154 | 44.9 | 0 | 0 | 0 | 0 | 111 | F218 | F218-T220 PolarHBondContact O-N 2.73Å; F218-T220 VanDerWaalsContact O-N 3.07Å |
| 221 | N | 31 | Very low | 52.7 | Low | 154 Ų | 154 | 118.7 Ų | 118.7 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | | | trans | 64.1 | 124.1 | 173.4 | -53.7 | -49.6 | 0 | 0 | 0 | 117.9 | | |
| 222 | S | 44 | Very low | 54.9 | Low | 113 Ų | 113 | 114.9 Ų | 114.9 | 79% | 0.79 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -94.3 | 2.6 | 173.5 | 29.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 223 | D | 48.3 | Very low | 57.4 | Low | 83 Ų | 83 | 113.5 Ų | 113.5 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | | | trans | -136.9 | 64.8 | -149.4 | -65.2 | -81.5 | 0 | 0 | 0 | 112.5 | L225 | D223-L225 VanDerWaalsContact C-N 3.27Å; D223-L225 HydrophobicContact CB-CD2 3.72Å; D223-L225 HydrophobicContact CB-CG 4.08Å; D223-L225 PolarHBondContact O-N 3.15Å; D223-L225 VanDerWaalsContact O-N 3.14Å |
| 224 | V | 54.9 | Low | 59.1 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | | | trans | -77.5 | 91.1 | 153.7 | -172.6 | 0 | 0 | 0 | 0 | 106.2 | V226 I233 | V224-V226 HydrophobicContact CG1-CG2 4Å; V224-V226 PolarHBondContact O-N 3.03Å; V224-I233 HydrophobicContact CG1-CD1 4Å; V224-I233 HydrophobicContact CG1-CG1 3.97Å; V224-I233 HydrophobicContact CG1-CG2 4.15Å |
| 225 | L | 68.1 | Low | 60.1 | Low | 29 Ų | 29 | 120.4 Ų | 120.4 | 15% | 0.152 | 59% | 0.593 | C | S | . | * | | | trans | -72.1 | 72.4 | -173.3 | -58.2 | 179.3 | 0 | 0 | 0 | 111.3 | D223 R234 T236 | D223-L225 VanDerWaalsContact C-N 3.27Å; D223-L225 HydrophobicContact CB-CD2 3.72Å; D223-L225 HydrophobicContact CB-CG 4.08Å; D223-L225 PolarHBondContact O-N 3.15Å; D223-L225 VanDerWaalsContact O-N 3.14Å; L225-R234 PolarHBondContact O-N 3.28Å; L225-R234 VanDerWaalsContact O-N 3.1Å; L225-R234 VanDerWaalsContact O-O 3.08Å; L225-T236 HydrophobicContact CB-CG2 3.9Å; L225-T236 WeakPolarHBondContact CD2-OG1 3.45Å |
| 226 | V | 80.1 | Confident | 61.4 | Low | 60 Ų | 60 | 110 Ų | 110 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -80.4 | 126.4 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | V224 I233 | V224-V226 HydrophobicContact CG1-CG2 4Å; V224-V226 PolarHBondContact O-N 3.03Å; V226-I233 HydrophobicContact CG2-CG1 3.92Å |
| 227 | C | 87.9 | Confident | 62.5 | Low | 0 Ų | 0 | 111.1 Ų | 111.1 | 0% | 0 | 55% | 0.554 | C | S | . | * | | | trans | -75.8 | 130.9 | 173.3 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | W229 C230 K231 H232 Q250 F251 C252 | C227-W229 PolarHBondContact O-N 3.31Å; C227-W229 PolarHBondContact SG-N 3.25Å; C227-W229 VanDerWaalsContact SG-N 3.36Å; C227-C230 HydrophobicContact CB-CB 4.33Å; C227-C230 WeakPolarHBondContact CB-SG 3.37Å; C227-C230 PolarHBondContact SG-N 2.9Å; C227-K231 VanDerWaalsContact O-CA 3.23Å; C227-K231 WeakPolarHBondContact O-CA 3.23Å; C227-K231 PolarHBondContact O-N 2.82Å; C227-H232 PolarHBondContact N-O 2.84Å; C227-Q250 CarbonylContact C-O 3.58Å; C227-Q250 VanDerWaalsContact CA-O 3.25Å; C227-Q250 WeakPolarHBondContact CA-O 3.36Å; C227-Q250 PolarHBondContact SG-O 2.98Å; C227-Q250 VanDerWaalsContact SG-O 3.37Å; C227-F251 VanDerWaalsContact SG-CA 3.57Å; C227-C252 HydrophobicContact CB-CB 3.55Å; C227-C252 PolarHBondContact SG-N 3.04Å; C227-C252 VanDerWaalsContact SG-SG 3.62Å |
| 228 | D | 87.3 | Confident | 63.7 | Low | 54 Ų | 54 | 108.2 Ų | 108.2 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.1 | 177.9 | -74.4 | -89.6 | 0 | 0 | 0 | 113.2 | R247 L249 Q250 | D228-R247 IonicContact OD1-CZ 3.47Å; D228-R247 IonicContact OD1-NH1 2.74Å; D228-R247 PolarHBondContact OD1-NH1 3.16Å; D228-L249 HydrophobicContact CB-CB 4.4Å; D228-L249 HydrophobicContact CB-CD2 4.27Å; D228-L249 VanDerWaalsContact OD2-CA 3.32Å; D228-L249 WeakPolarHBondContact OD2-CA 2.94Å; D228-Q250 PolarHBondContact N-O 3.22Å; D228-Q250 PolarHBondContact OD2-N 3.5Å |
| 229 | W | 89.3 | Confident | 65.4 | Low | 87 Ų | 87 | 104.8 Ų | 104.8 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -63 | 173.5 | -177.5 | -97.1 | 0 | 0 | 0 | 112.7 | C227 K231 F251 C256 Q259 Y260 D263 | C227-W229 PolarHBondContact O-N 3.31Å; C227-W229 PolarHBondContact SG-N 3.25Å; C227-W229 VanDerWaalsContact SG-N 3.36Å; W229-K231 VanDerWaalsContact C-N 3.32Å; W229-K231 PolarHBondContact O-N 2.71Å; W229-F251 HydrophobicContact CB-CD1 4.11Å; W229-F251 HydrophobicContact CB-CE1 4.03Å; W229-C256 HydrophobicContact CB-CB 4.08Å; W229-C256 HydrophobicContact CG-CB 4.13Å; W229-Q259 HydrophobicContact CD2-CB 4.44Å; W229-Q259 HydrophobicContact CD2-CG 4.47Å; W229-Q259 HydrophobicContact CH2-CG 4.02Å; W229-Q259 HydrophobicContact CZ2-CB 4.1Å; W229-Q259 HydrophobicContact CZ2-CG 3.27Å; W229-Y260 AromaticContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CG 4.34Å; W229-Y260 HydrophobicContact CZ3-CD2 4.38Å; W229-D263 HydrophobicContact CH2-CB 3.66Å; W229-D263 HydrophobicContact CZ3-CB 3.55Å |
| 230 | C | 89.5 | Confident | 66.8 | Low | 29 Ų | 29 | 97.1 Ų | 97.1 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.3 | -167.8 | 83.4 | 0 | 0 | 0 | 0 | 113.7 | C227 H232 C252 C256 | C227-C230 HydrophobicContact CB-CB 4.33Å; C227-C230 WeakPolarHBondContact CB-SG 3.37Å; C227-C230 PolarHBondContact SG-N 2.9Å; C230-H232 PolarHBondContact O-N 2.89Å; C230-H232 PolarHBondContact O-ND1 3.39Å; C230-C252 WeakPolarHBondContact CB-SG 3.43Å; C230-C252 WeakPolarHBondContact SG-CB 3.43Å; C230-C252 CovalentContact SG-SG 2.06Å; C230-C252 PolarHBondContact SG-SG 3.36Å; C230-C256 HydrophobicContact CB-CB 4.47Å |
| 231 | K | 87.9 | Confident | 67.7 | Low | 173 Ų | 173 | 96 Ų | 96 | 75% | 0.752 | 47% | 0.472 | S | S | * | . | | | trans | 54.2 | 1.5 | -176.7 | -62.4 | -174.3 | -179.3 | 178.2 | 0 | 116.8 | C227 W229 | C227-K231 VanDerWaalsContact O-CA 3.23Å; C227-K231 WeakPolarHBondContact O-CA 3.23Å; C227-K231 PolarHBondContact O-N 2.82Å; W229-K231 VanDerWaalsContact C-N 3.32Å; W229-K231 PolarHBondContact O-N 2.71Å |
| 232 | H | 83.5 | Confident | 69 | Low | 117 Ų | 117 | 93.3 Ų | 93.3 | 54% | 0.542 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -83 | 143.5 | 174 | -68.1 | 78.5 | 0 | 0 | 0 | 110.8 | C227 C230 R234 | C227-H232 PolarHBondContact N-O 2.84Å; C230-H232 PolarHBondContact O-N 2.89Å; C230-H232 PolarHBondContact O-ND1 3.39Å; H232-R234 HydrophobicContact CB-CG 4.42Å; H232-R234 PolarHBondContact O-N 2.93Å |
| 233 | I | 75.4 | Confident | 69.2 | Low | 124 Ų | 124 | 92.2 Ų | 92.2 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | B | Isolated β-bridge | trans | -74.5 | 104.1 | 168.3 | -56.5 | 164.7 | 0 | 0 | 0 | 107.6 | V224 V226 | V224-I233 HydrophobicContact CG1-CD1 4Å; V224-I233 HydrophobicContact CG1-CG1 3.97Å; V224-I233 HydrophobicContact CG1-CG2 4.15Å; V226-I233 HydrophobicContact CG2-CG1 3.92Å |
| 234 | R | 65.4 | Low | 69.2 | Low | 170 Ų | 170 | 92.4 Ų | 92.4 | 64% | 0.642 | 47% | 0.472 | S | S | * | . | | | trans | -152.1 | 142 | 174.4 | -66.8 | -168.4 | -177.9 | -142.7 | -0 | 108.8 | L225 H232 T236 C252 | L225-R234 PolarHBondContact O-N 3.28Å; L225-R234 VanDerWaalsContact O-N 3.1Å; L225-R234 VanDerWaalsContact O-O 3.08Å; H232-R234 HydrophobicContact CB-CG 4.42Å; H232-R234 PolarHBondContact O-N 2.93Å; R234-T236 PolarHBondContact O-N 3.4Å; R234-C252 HydrophobicContact CB-CB 4.17Å |
| 235 | H | 58.8 | Low | 69.1 | Low | 175 Ų | 175 | 91 Ų | 91 | 81% | 0.81 | 48% | 0.479 | S | S | * | . | | | trans | -43.8 | 105.6 | -179 | -59.6 | -87.1 | 0 | 0 | 0 | 112.5 | | |
| 236 | T | 58.4 | Low | 68.7 | Low | 14 Ų | 14 | 94.8 Ų | 94.8 | 9% | 0.086 | 50% | 0.496 | C | S | . | . | | | trans | -75.7 | 128.9 | -179.9 | 53.5 | 0 | 0 | 0 | 0 | 109.4 | L225 R234 Q250 F251 | L225-T236 HydrophobicContact CB-CG2 3.9Å; L225-T236 WeakPolarHBondContact CD2-OG1 3.45Å; R234-T236 PolarHBondContact O-N 3.4Å; T236-Q250 HydrophobicContact CG2-CB 3.64Å; T236-F251 VanDerWaalsContact CA-O 3.31Å; T236-F251 WeakPolarHBondContact CA-O 3.31Å |
| 237 | K | 60.7 | Low | 68.1 | Low | 191 Ų | 191 | 100.6 Ų | 100.6 | 83% | 0.83 | 51% | 0.512 | S | S | * | . | | | trans | -109.6 | -10.6 | -176.5 | -151.9 | 176.9 | -179.5 | -176.2 | 0 | 114 | F251 | K237-F251 PolarHBondContact N-O 2.96Š|
| 238 | E | 59 | Low | 67.5 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 36% | 0.36 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.7 | -175.4 | -70.4 | 167.8 | -166.8 | 0 | 0 | 110.5 | F251 L257 | E238-F251 PolarHBondContact O-N 3.02Å; E238-F251 VanDerWaalsContact O-N 3.13Å; E238-L257 WeakPolarHBondContact OE2-CD2 3.42Å |
| 239 | Y | 63.4 | Low | 67.4 | Low | 120 Ų | 120 | 106 Ų | 106 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.8 | 179.3 | -60.8 | -84.8 | 0 | 0 | 0 | 110 | L249 Q250 | Y239-L249 WeakPolarHBondContact CA-O 3.39Å; Y239-Q250 HydrophobicContact CD1-CG 3.97Å; Y239-Q250 HydrophobicContact CE1-CG 3.88Å |
| 240 | L | 69.3 | Low | 67.2 | Low | 46 Ų | 46 | 104.1 Ų | 104.1 | 24% | 0.241 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118 | 162.5 | -76.5 | -177.2 | 0 | 0 | 0 | 110.7 | F242 L249 F251 L257 Y260 | L240-F242 HydrophobicContact CB-CD2 4.43Å; L240-F242 HydrophobicContact CB-CE2 3.9Å; L240-F242 HydrophobicContact CD1-CE2 4.14Å; L240-F242 HydrophobicContact CD1-CZ 4.06Å; L240-L249 PolarHBondContact N-O 3.28Å; L240-L249 PolarHBondContact O-N 2.77Å; L240-L249 VanDerWaalsContact O-N 3.11Å; L240-F251 HydrophobicContact CB-CE2 4.23Å; L240-F251 HydrophobicContact CD1-CE2 4.1Å; L240-F251 HydrophobicContact CD1-CZ 4.46Å; L240-F251 HydrophobicContact CG-CE2 4.06Å; L240-L257 HydrophobicContact CD1-CD1 3.45Å; L240-L257 VanDerWaalsContact CD1-CD1 3.45Å; L240-L257 HydrophobicContact CD2-CD1 4.15Å; L240-L257 HydrophobicContact CG-CD1 3.57Å; L240-Y260 HydrophobicContact CD1-CD1 4.41Å; L240-Y260 HydrophobicContact CD1-CE1 4.43Å |
| 241 | D | 60.3 | Low | 67.1 | Low | 91 Ų | 91 | 102.8 Ų | 102.8 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | | | trans | -96.5 | 96.4 | 172.1 | -88 | 29.3 | 0 | 0 | 0 | 110.2 | G243 R248 | D241-G243 PolarHBondContact O-N 3.01Å; D241-G243 VanDerWaalsContact O-N 3.16Å; D241-R248 VanDerWaalsContact OD1-CD 3.3Å; D241-R248 WeakPolarHBondContact OD1-CD 3.16Å; D241-R248 WeakPolarHBondContact OD1-CG 3.4Å; D241-R248 IonicContact OD1-CZ 3.22Å; D241-R248 IonicContact OD1-NE 2.91Å; D241-R248 PolarHBondContact OD1-NE 2.89Å; D241-R248 IonicContact OD1-NH2 2.73Å; D241-R248 IonicContact OD2-CZ 2.58Å; D241-R248 VanDerWaalsContact OD2-CZ 3.22Å; D241-R248 IonicContact OD2-NE 3.64Å; D241-R248 PolarHBondContact OD2-NE 3.03Å; D241-R248 IonicContact OD2-NH2 3.59Å; D241-R248 PolarHBondContact OD2-NH2 3.18Å |
| 242 | F | 58.4 | Low | 67.1 | Low | 98 Ų | 98 | 95.8 Ų | 95.8 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | | | trans | -71.9 | 105.6 | 164.5 | -63.7 | -88.4 | 0 | 0 | 0 | 108.2 | L240 A244 L249 Y260 | L240-F242 HydrophobicContact CB-CD2 4.43Å; L240-F242 HydrophobicContact CB-CE2 3.9Å; L240-F242 HydrophobicContact CD1-CE2 4.14Å; L240-F242 HydrophobicContact CD1-CZ 4.06Å; F242-A244 PolarHBondContact O-N 3.02Å; F242-L249 HydrophobicContact CD2-CD1 4.5Å; F242-L249 HydrophobicContact CE2-CD1 3.8Å; F242-L249 HydrophobicContact CE2-CG 4.19Å; F242-Y260 HydrophobicContact CE2-CE1 4.4Å; F242-Y260 HydrophobicContact CZ-CE1 4.2Å |
| 243 | G | 47.4 | Very low | 67.2 | Low | 89 Ų | 89 | 92.5 Ų | 92.5 | 92% | 0.918 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 9.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | D241 | D241-G243 PolarHBondContact O-N 3.01Å; D241-G243 VanDerWaalsContact O-N 3.16Å |
| 244 | A | 48.5 | Very low | 67.7 | Low | 87 Ų | 87 | 88.6 Ų | 88.6 | 72% | 0.719 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 10.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F242 E246 | F242-A244 PolarHBondContact O-N 3.02Å; A244-E246 HydrophobicContact CB-CG 4.41Å |
| 245 | G | 51.8 | Low | 68.9 | Low | 79 Ų | 79 | 89.2 Ų | 89.2 | 81% | 0.814 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 22.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 246 | E | 60.8 | Low | 70.4 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 166 | 171.4 | -53.7 | -159.8 | 152.7 | 0 | 0 | 109.6 | K190 A244 R248 | K190-E246 IonicContact NZ-OE1 3.31Å; K190-E246 PolarHBondContact NZ-OE1 2.88Å; A244-E246 HydrophobicContact CB-CG 4.41Å; E246-R248 PolarHBondContact O-N 3.08Å |
| 247 | R | 66.9 | Low | 71.9 | Confident | 183 Ų | 183 | 81.8 Ų | 81.8 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 131.6 | -172.1 | 50.1 | 169.5 | 175.7 | 157.2 | -4.2 | 111.5 | D228 L249 | D228-R247 IonicContact OD1-CZ 3.47Å; D228-R247 IonicContact OD1-NH1 2.74Å; D228-R247 PolarHBondContact OD1-NH1 3.16Å; R247-L249 HydrophobicContact CG-CD2 3.86Å; R247-L249 PolarHBondContact O-N 3.18Å |
| 248 | R | 75.9 | Confident | 73.3 | Confident | 159 Ų | 159 | 76.7 Ų | 76.7 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 117.7 | 169.9 | -56.6 | -171.8 | 136.3 | 168.7 | -4.8 | 108.3 | D241 E246 | D241-R248 VanDerWaalsContact OD1-CD 3.3Å; D241-R248 WeakPolarHBondContact OD1-CD 3.16Å; D241-R248 WeakPolarHBondContact OD1-CG 3.4Å; D241-R248 IonicContact OD1-CZ 3.22Å; D241-R248 IonicContact OD1-NE 2.91Å; D241-R248 PolarHBondContact OD1-NE 2.89Å; D241-R248 IonicContact OD1-NH2 2.73Å; D241-R248 IonicContact OD2-CZ 2.58Å; D241-R248 VanDerWaalsContact OD2-CZ 3.22Å; D241-R248 IonicContact OD2-NE 3.64Å; D241-R248 PolarHBondContact OD2-NE 3.03Å; D241-R248 IonicContact OD2-NH2 3.59Å; D241-R248 PolarHBondContact OD2-NH2 3.18Å; E246-R248 PolarHBondContact O-N 3.08Å |
| 249 | L | 86 | Confident | 74.8 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 4% | 0.042 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 134 | 179.2 | -56.3 | -172.7 | 0 | 0 | 0 | 109.9 | D228 Y239 L240 F242 R247 F251 Y260 | D228-L249 HydrophobicContact CB-CB 4.4Å; D228-L249 HydrophobicContact CB-CD2 4.27Å; D228-L249 VanDerWaalsContact OD2-CA 3.32Å; D228-L249 WeakPolarHBondContact OD2-CA 2.94Å; Y239-L249 WeakPolarHBondContact CA-O 3.39Å; L240-L249 PolarHBondContact N-O 3.28Å; L240-L249 PolarHBondContact O-N 2.77Å; L240-L249 VanDerWaalsContact O-N 3.11Å; F242-L249 HydrophobicContact CD2-CD1 4.5Å; F242-L249 HydrophobicContact CE2-CD1 3.8Å; F242-L249 HydrophobicContact CE2-CG 4.19Å; R247-L249 HydrophobicContact CG-CD2 3.86Å; R247-L249 PolarHBondContact O-N 3.18Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CB-CZ 3.71Å; L249-F251 HydrophobicContact CD1-CZ 4.29Å; L249-Y260 HydrophobicContact CD1-CD1 4.35Å; L249-Y260 HydrophobicContact CD1-CE1 3.46Å; L249-Y260 VanDerWaalsContact CD1-CE1 3.46Å; L249-Y260 HydrophobicContact CD1-CE2 4.16Å; L249-Y260 VanDerWaalsContact CD1-OH 3.23Å; L249-Y260 WeakPolarHBondContact CD1-OH 3.38Å |
| 250 | Q | 83.9 | Confident | 76.2 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138 | -175.1 | -45 | -169.4 | 0.8 | 0 | 0 | 111 | C227 D228 T236 Y239 | C227-Q250 CarbonylContact C-O 3.58Å; C227-Q250 VanDerWaalsContact CA-O 3.25Å; C227-Q250 WeakPolarHBondContact CA-O 3.36Å; C227-Q250 PolarHBondContact SG-O 2.98Å; C227-Q250 VanDerWaalsContact SG-O 3.37Å; D228-Q250 PolarHBondContact N-O 3.22Å; D228-Q250 PolarHBondContact OD2-N 3.5Å; T236-Q250 HydrophobicContact CG2-CB 3.64Å; Y239-Q250 HydrophobicContact CD1-CG 3.97Å; Y239-Q250 HydrophobicContact CE1-CG 3.88Å |
| 251 | F | 88.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 0% | 0.004 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | -176 | -59.8 | -82.7 | 0 | 0 | 0 | 114.2 | C227 W229 T236 K237 E238 L240 L249 S253 C256 L257 Y260 | C227-F251 VanDerWaalsContact SG-CA 3.57Å; W229-F251 HydrophobicContact CB-CD1 4.11Å; W229-F251 HydrophobicContact CB-CE1 4.03Å; T236-F251 VanDerWaalsContact CA-O 3.31Å; T236-F251 WeakPolarHBondContact CA-O 3.31Å; K237-F251 PolarHBondContact N-O 2.96Å; E238-F251 PolarHBondContact O-N 3.02Å; E238-F251 VanDerWaalsContact O-N 3.13Å; L240-F251 HydrophobicContact CB-CE2 4.23Å; L240-F251 HydrophobicContact CD1-CE2 4.1Å; L240-F251 HydrophobicContact CD1-CZ 4.46Å; L240-F251 HydrophobicContact CG-CE2 4.06Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CB-CZ 3.71Å; L249-F251 HydrophobicContact CD1-CZ 4.29Å; F251-S253 PolarHBondContact O-N 3.06Å; F251-C256 HydrophobicContact CD1-CB 4.46Å; F251-L257 HydrophobicContact CB-CB 4.07Å; F251-L257 HydrophobicContact CD1-CB 4.23Å; F251-L257 HydrophobicContact CD2-CB 4.21Å; F251-L257 HydrophobicContact CD2-CD1 3.7Å; F251-L257 HydrophobicContact CE2-CD1 3.67Å; F251-L257 HydrophobicContact CG-CB 3.88Å; F251-L257 HydrophobicContact CG-CD1 4.21Å; F251-L257 HydrophobicContact CZ-CD1 4.17Å; F251-Y260 AromaticContact CE1-CD1 3.95Å; F251-Y260 HydrophobicContact CE1-CD1 3.95Å; F251-Y260 AromaticContact CE1-CG 3.85Å; F251-Y260 HydrophobicContact CE1-CG 3.85Å; F251-Y260 AromaticContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CE1 4.16Å; F251-Y260 AromaticContact CZ-CG 3.92Å; F251-Y260 HydrophobicContact CZ-CG 3.92Å |
| 252 | C | 87.9 | Confident | 78.6 | Confident | 27 Ų | 27 | 76 Ų | 76 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -71 | -14.8 | 177.3 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | C227 C230 R234 C256 | C227-C252 HydrophobicContact CB-CB 3.55Å; C227-C252 PolarHBondContact SG-N 3.04Å; C227-C252 VanDerWaalsContact SG-SG 3.62Å; C230-C252 WeakPolarHBondContact CB-SG 3.43Å; C230-C252 WeakPolarHBondContact SG-CB 3.43Å; C230-C252 CovalentContact SG-SG 2.06Å; C230-C252 PolarHBondContact SG-SG 3.36Å; R234-C252 HydrophobicContact CB-CB 4.17Å; C252-C256 PolarHBondContact SG-SG 3.47Å |
| 253 | S | 85.4 | Confident | 80.1 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 33% | 0.329 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -167.8 | 161.9 | 170.4 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | F251 K255 C256 L257 | F251-S253 PolarHBondContact O-N 3.06Å; S253-K255 PolarHBondContact O-N 3.44Å; S253-K255 PolarHBondContact OG-N 2.99Å; S253-C256 WeakPolarHBondContact O-CB 3.48Å; S253-C256 PolarHBondContact O-N 3.4Å; S253-C256 PolarHBondContact OG-N 3.22Å; S253-C256 PolarHBondContact OG-SG 3.19Å; S253-L257 PolarHBondContact O-N 3.21Å |
| 254 | A | 86.6 | Confident | 82.2 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.9 | -28 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C256 L257 N258 | A254-C256 VanDerWaalsContact C-N 3.33Å; A254-L257 PolarHBondContact O-N 3.46Å; A254-N258 WeakPolarHBondContact O-CB 3.12Å; A254-N258 VanDerWaalsContact O-CG 3.29Å; A254-N258 PolarHBondContact O-N 3.25Å |
| 255 | K | 89.4 | Confident | 84.2 | Confident | 182 Ų | 182 | 73.9 Ų | 73.9 | 79% | 0.791 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 172.2 | -67.2 | -171.4 | 176.5 | -173.5 | 0 | 111.1 | S253 N258 Q259 | S253-K255 PolarHBondContact O-N 3.44Å; S253-K255 PolarHBondContact OG-N 2.99Å; K255-N258 PolarHBondContact O-N 3.44Å; K255-Q259 WeakPolarHBondContact O-CB 3.31Å; K255-Q259 PolarHBondContact O-N 2.98Å |
| 256 | C | 90.3 | Very high | 86 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.8 | -33.5 | 179.8 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | W229 C230 F251 C252 S253 A254 Y260 | W229-C256 HydrophobicContact CB-CB 4.08Å; W229-C256 HydrophobicContact CG-CB 4.13Å; C230-C256 HydrophobicContact CB-CB 4.47Å; F251-C256 HydrophobicContact CD1-CB 4.46Å; C252-C256 PolarHBondContact SG-SG 3.47Å; S253-C256 WeakPolarHBondContact O-CB 3.48Å; S253-C256 PolarHBondContact O-N 3.4Å; S253-C256 PolarHBondContact OG-N 3.22Å; S253-C256 PolarHBondContact OG-SG 3.19Å; A254-C256 VanDerWaalsContact C-N 3.33Å; C256-Y260 WeakPolarHBondContact O-CB 3.21Å; C256-Y260 PolarHBondContact O-N 2.88Å |
| 257 | L | 89.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 168.4 | 172.7 | 62.1 | 0 | 0 | 0 | 111.5 | E238 L240 F251 S253 A254 Y260 K261 | E238-L257 WeakPolarHBondContact OE2-CD2 3.42Å; L240-L257 HydrophobicContact CD1-CD1 3.45Å; L240-L257 VanDerWaalsContact CD1-CD1 3.45Å; L240-L257 HydrophobicContact CD2-CD1 4.15Å; L240-L257 HydrophobicContact CG-CD1 3.57Å; F251-L257 HydrophobicContact CB-CB 4.07Å; F251-L257 HydrophobicContact CD1-CB 4.23Å; F251-L257 HydrophobicContact CD2-CB 4.21Å; F251-L257 HydrophobicContact CD2-CD1 3.7Å; F251-L257 HydrophobicContact CE2-CD1 3.67Å; F251-L257 HydrophobicContact CG-CB 3.88Å; F251-L257 HydrophobicContact CG-CD1 4.21Å; F251-L257 HydrophobicContact CZ-CD1 4.17Å; S253-L257 PolarHBondContact O-N 3.21Å; A254-L257 PolarHBondContact O-N 3.46Å; L257-Y260 PolarHBondContact O-N 3.38Å; L257-K261 WeakPolarHBondContact O-CG 3.35Å; L257-K261 PolarHBondContact O-N 2.94Å |
| 258 | N | 90.3 | Very high | 88.5 | Confident | 83 Ų | 83 | 74 Ų | 74 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.9 | -36.4 | -177.1 | -70.4 | -13.7 | 0 | 0 | 0 | 112.3 | A254 K255 Y260 K261 M262 | A254-N258 WeakPolarHBondContact O-CB 3.12Å; A254-N258 VanDerWaalsContact O-CG 3.29Å; A254-N258 PolarHBondContact O-N 3.25Å; K255-N258 PolarHBondContact O-N 3.44Å; N258-Y260 VanDerWaalsContact C-N 3.33Å; N258-Y260 PolarHBondContact O-N 3.11Å; N258-K261 PolarHBondContact O-N 2.89Å; N258-K261 PolarHBondContact OD1-NZ 3.18Å; N258-M262 WeakPolarHBondContact O-CG 3.26Å; N258-M262 PolarHBondContact O-N 3.44Å |
| 259 | Q | 92 | Very high | 89.1 | Confident | 99 Ų | 99 | 69 Ų | 69 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 172.9 | -166.3 | 65.6 | 54.3 | 0 | 0 | 111.8 | W229 K255 M262 D263 | W229-Q259 HydrophobicContact CD2-CB 4.44Å; W229-Q259 HydrophobicContact CD2-CG 4.47Å; W229-Q259 HydrophobicContact CH2-CG 4.02Å; W229-Q259 HydrophobicContact CZ2-CB 4.1Å; W229-Q259 HydrophobicContact CZ2-CG 3.27Å; K255-Q259 WeakPolarHBondContact O-CB 3.31Å; K255-Q259 PolarHBondContact O-N 2.98Å; Q259-M262 PolarHBondContact O-N 2.92Å; Q259-D263 WeakPolarHBondContact O-CB 3.41Å; Q259-D263 PolarHBondContact O-N 2.94Å |
| 260 | Y | 90.8 | Very high | 89 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 172.4 | 174.8 | -105.6 | 0 | 0 | 0 | 112.5 | W229 L240 F242 L249 F251 C256 L257 N258 M262 D263 I264 | W229-Y260 AromaticContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CG 4.34Å; W229-Y260 HydrophobicContact CZ3-CD2 4.38Å; L240-Y260 HydrophobicContact CD1-CD1 4.41Å; L240-Y260 HydrophobicContact CD1-CE1 4.43Å; F242-Y260 HydrophobicContact CE2-CE1 4.4Å; F242-Y260 HydrophobicContact CZ-CE1 4.2Å; L249-Y260 HydrophobicContact CD1-CD1 4.35Å; L249-Y260 HydrophobicContact CD1-CE1 3.46Å; L249-Y260 VanDerWaalsContact CD1-CE1 3.46Å; L249-Y260 HydrophobicContact CD1-CE2 4.16Å; L249-Y260 VanDerWaalsContact CD1-OH 3.23Å; L249-Y260 WeakPolarHBondContact CD1-OH 3.38Å; F251-Y260 AromaticContact CE1-CD1 3.95Å; F251-Y260 HydrophobicContact CE1-CD1 3.95Å; F251-Y260 AromaticContact CE1-CG 3.85Å; F251-Y260 HydrophobicContact CE1-CG 3.85Å; F251-Y260 AromaticContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CE1 4.16Å; F251-Y260 AromaticContact CZ-CG 3.92Å; F251-Y260 HydrophobicContact CZ-CG 3.92Å; C256-Y260 WeakPolarHBondContact O-CB 3.21Å; C256-Y260 PolarHBondContact O-N 2.88Å; L257-Y260 PolarHBondContact O-N 3.38Å; N258-Y260 VanDerWaalsContact C-N 3.33Å; N258-Y260 PolarHBondContact O-N 3.11Å; Y260-M262 VanDerWaalsContact C-N 3.31Å; Y260-M262 PolarHBondContact O-N 3.44Å; Y260-D263 PolarHBondContact O-N 3.48Å; Y260-I264 HydrophobicContact CD1-CG1 4.44Å; Y260-I264 HydrophobicContact CD2-CG1 4.19Å; Y260-I264 HydrophobicContact CE1-CG1 3.93Å; Y260-I264 HydrophobicContact CE2-CD1 3.77Å; Y260-I264 HydrophobicContact CE2-CG1 3.65Å; Y260-I264 VanDerWaalsContact CZ-CG1 3.49Å; Y260-I264 WeakPolarHBondContact O-CG1 3.37Å; Y260-I264 PolarHBondContact O-N 2.99Å |
| 261 | K | 89.9 | Confident | 88.6 | Confident | 97 Ų | 97 | 76.3 Ų | 76.3 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 173.9 | -71.4 | 171.6 | -175 | 165.5 | 0 | 111.9 | L257 N258 F265 | L257-K261 WeakPolarHBondContact O-CG 3.35Å; L257-K261 PolarHBondContact O-N 2.94Å; N258-K261 PolarHBondContact O-N 2.89Å; N258-K261 PolarHBondContact OD1-NZ 3.18Å; K261-F265 WeakPolarHBondContact O-CB 3.22Å; K261-F265 PolarHBondContact O-N 3.46Å |
| 262 | M | 91.4 | Very high | 87.8 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 39% | 0.389 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 176.2 | -70.3 | -54.3 | -54.7 | 0 | 0 | 112.2 | N258 Q259 Y260 I264 F265 Y266 | N258-M262 WeakPolarHBondContact O-CG 3.26Å; N258-M262 PolarHBondContact O-N 3.44Å; Q259-M262 PolarHBondContact O-N 2.92Å; Y260-M262 VanDerWaalsContact C-N 3.31Å; Y260-M262 PolarHBondContact O-N 3.44Å; M262-I264 PolarHBondContact O-N 3.14Å; M262-F265 PolarHBondContact O-N 3.44Å; M262-Y266 HydrophobicContact CB-CD2 4.38Å; M262-Y266 HydrophobicContact CB-CE2 4.37Å; M262-Y266 HydrophobicContact CE-CD2 4.25Å; M262-Y266 HydrophobicContact CE-CE2 3.59Å; M262-Y266 WeakPolarHBondContact O-CB 3.36Å; M262-Y266 WeakPolarHBondContact O-CD2 3.47Å; M262-Y266 PolarHBondContact O-N 2.87Å |
| 263 | D | 90.4 | Very high | 87.1 | Confident | 42 Ų | 42 | 83.8 Ų | 83.8 | 23% | 0.225 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 178 | -179.9 | 67.4 | 0 | 0 | 0 | 112.2 | W229 Q259 Y260 K267 | W229-D263 HydrophobicContact CH2-CB 3.66Å; W229-D263 HydrophobicContact CZ3-CB 3.55Å; Q259-D263 WeakPolarHBondContact O-CB 3.41Å; Q259-D263 PolarHBondContact O-N 2.94Å; Y260-D263 PolarHBondContact O-N 3.48Å; D263-K267 VanDerWaalsContact O-CG 3.31Å; D263-K267 WeakPolarHBondContact O-CG 3.45Å; D263-K267 PolarHBondContact O-N 2.95Å; D263-K267 WeakPolarHBondContact OD1-CE 3.48Å; D263-K267 IonicContact OD1-NZ 3.56Å; D263-K267 PolarHBondContact OD1-NZ 3.48Å; D263-K267 WeakPolarHBondContact OD2-CE 3.43Å; D263-K267 IonicContact OD2-NZ 2.73Å; D263-K267 PolarHBondContact OD2-NZ 2.94Å |
| 264 | I | 91 | Very high | 85.9 | Confident | 65 Ų | 65 | 86.8 Ų | 86.8 | 33% | 0.333 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.8 | -50.6 | 170.7 | -66.8 | -62.8 | 0 | 0 | 0 | 110.8 | Y260 M262 Y266 K267 E268 | Y260-I264 HydrophobicContact CD1-CG1 4.44Å; Y260-I264 HydrophobicContact CD2-CG1 4.19Å; Y260-I264 HydrophobicContact CE1-CG1 3.93Å; Y260-I264 HydrophobicContact CE2-CD1 3.77Å; Y260-I264 HydrophobicContact CE2-CG1 3.65Å; Y260-I264 VanDerWaalsContact CZ-CG1 3.49Å; Y260-I264 WeakPolarHBondContact O-CG1 3.37Å; Y260-I264 PolarHBondContact O-N 2.99Å; M262-I264 PolarHBondContact O-N 3.14Å; I264-Y266 VanDerWaalsContact C-N 3.34Å; I264-Y266 PolarHBondContact O-N 2.88Å; I264-K267 PolarHBondContact O-N 3.03Å; I264-K267 VanDerWaalsContact O-N 3.16Å; I264-E268 VanDerWaalsContact O-CB 3.31Å; I264-E268 WeakPolarHBondContact O-CB 3.47Å; I264-E268 PolarHBondContact O-N 2.82Å |
| 265 | F | 90.1 | Very high | 84.5 | Confident | 122 Ų | 122 | 88.6 Ų | 88.6 | 54% | 0.535 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 179.2 | -178.7 | -99.5 | 0 | 0 | 0 | 112.8 | K261 M262 T269 | K261-F265 WeakPolarHBondContact O-CB 3.22Å; K261-F265 PolarHBondContact O-N 3.46Å; M262-F265 PolarHBondContact O-N 3.44Å; F265-T269 VanDerWaalsContact O-CB 3.26Å; F265-T269 WeakPolarHBondContact O-CB 3.38Å; F265-T269 PolarHBondContact O-N 3.37Å; F265-T269 PolarHBondContact O-OG1 2.88Å |
| 266 | Y | 89.7 | Confident | 82.4 | Confident | 131 Ų | 131 | 84.2 Ų | 84.2 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.1 | -80.5 | -61 | 0 | 0 | 0 | 112.3 | M262 I264 Q270 | M262-Y266 HydrophobicContact CB-CD2 4.38Å; M262-Y266 HydrophobicContact CB-CE2 4.37Å; M262-Y266 HydrophobicContact CE-CD2 4.25Å; M262-Y266 HydrophobicContact CE-CE2 3.59Å; M262-Y266 WeakPolarHBondContact O-CB 3.36Å; M262-Y266 WeakPolarHBondContact O-CD2 3.47Å; M262-Y266 PolarHBondContact O-N 2.87Å; I264-Y266 VanDerWaalsContact C-N 3.34Å; I264-Y266 PolarHBondContact O-N 2.88Å; Y266-Q270 WeakPolarHBondContact O-CB 3.37Å; Y266-Q270 WeakPolarHBondContact O-CG 3.1Å; Y266-Q270 PolarHBondContact O-N 3.39Å |
| 267 | K | 89.6 | Confident | 80.5 | Confident | 109 Ų | 109 | 91 Ų | 91 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 177.5 | -71.7 | -175.9 | -143.9 | -49.6 | 0 | 112.6 | D263 I264 Q270 A271 | D263-K267 VanDerWaalsContact O-CG 3.31Å; D263-K267 WeakPolarHBondContact O-CG 3.45Å; D263-K267 PolarHBondContact O-N 2.95Å; D263-K267 WeakPolarHBondContact OD1-CE 3.48Å; D263-K267 IonicContact OD1-NZ 3.56Å; D263-K267 PolarHBondContact OD1-NZ 3.48Å; D263-K267 WeakPolarHBondContact OD2-CE 3.43Å; D263-K267 IonicContact OD2-NZ 2.73Å; D263-K267 PolarHBondContact OD2-NZ 2.94Å; I264-K267 PolarHBondContact O-N 3.03Å; I264-K267 VanDerWaalsContact O-N 3.16Å; K267-Q270 PolarHBondContact O-N 3.03Å; K267-A271 WeakPolarHBondContact O-CB 3.32Å; K267-A271 PolarHBondContact O-N 3.44Å |
| 268 | E | 89.8 | Confident | 78.2 | Confident | 132 Ų | 132 | 94.6 Ų | 94.6 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 177.4 | -169.9 | 163.5 | -156.1 | 0 | 0 | 110.7 | I264 A271 A272 | I264-E268 VanDerWaalsContact O-CB 3.31Å; I264-E268 WeakPolarHBondContact O-CB 3.47Å; I264-E268 PolarHBondContact O-N 2.82Å; E268-A271 PolarHBondContact O-N 3.34Å; E268-A272 WeakPolarHBondContact O-CB 3.27Å; E268-A272 PolarHBondContact O-N 2.78Å |
| 269 | T | 89.9 | Confident | 75.9 | Confident | 55 Ų | 55 | 98.1 Ų | 98.1 | 34% | 0.337 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -43.8 | 172.3 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | F265 A271 A272 L273 | F265-T269 VanDerWaalsContact O-CB 3.26Å; F265-T269 WeakPolarHBondContact O-CB 3.38Å; F265-T269 PolarHBondContact O-N 3.37Å; F265-T269 PolarHBondContact O-OG1 2.88Å; T269-A271 VanDerWaalsContact C-N 3.29Å; T269-A271 PolarHBondContact O-N 3.42Å; T269-A272 PolarHBondContact O-N 3.31Å; T269-L273 WeakPolarHBondContact O-CG 3.33Å; T269-L273 PolarHBondContact O-N 2.92Å |
| 270 | Q | 83 | Confident | 73.7 | Confident | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.2 | -31.9 | 176.2 | -76.3 | 169.8 | 12.1 | 0 | 0 | 112.8 | Y266 K267 | Y266-Q270 WeakPolarHBondContact O-CB 3.37Å; Y266-Q270 WeakPolarHBondContact O-CG 3.1Å; Y266-Q270 PolarHBondContact O-N 3.39Å; K267-Q270 PolarHBondContact O-N 3.03Å |
| 271 | A | 76 | Confident | 71.1 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 72% | 0.719 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -79 | -21.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K267 E268 T269 | K267-A271 WeakPolarHBondContact O-CB 3.32Å; K267-A271 PolarHBondContact O-N 3.44Å; E268-A271 PolarHBondContact O-N 3.34Å; T269-A271 VanDerWaalsContact C-N 3.29Å; T269-A271 PolarHBondContact O-N 3.42Å |
| 272 | A | 71.9 | Confident | 68.4 | Low | 83 Ų | 83 | 105.9 Ų | 105.9 | 69% | 0.686 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -86.6 | -20.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E268 T269 | E268-A272 WeakPolarHBondContact O-CB 3.27Å; E268-A272 PolarHBondContact O-N 2.78Å; T269-A272 PolarHBondContact O-N 3.31Å |
| 273 | L | 72.2 | Confident | 65.4 | Low | 102 Ų | 102 | 106 Ų | 106 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -74.7 | 141.3 | 171.8 | -72.9 | 171.3 | 0 | 0 | 0 | 111 | T269 G275 | T269-L273 WeakPolarHBondContact O-CG 3.33Å; T269-L273 PolarHBondContact O-N 2.92Å; L273-G275 PolarHBondContact O-N 3.04Å |
| 274 | P | 60.5 | Low | 62.7 | Low | 111 Ų | 111 | 108.9 Ų | 108.9 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | | | trans | -56 | 122 | 174.6 | -26.2 | 35.2 | 0 | 0 | 0 | 111.7 | A276 | P274-A276 PolarHBondContact O-N 3.04Š|
| 275 | G | 56.2 | Low | 59.9 | Low | 80 Ų | 80 | 109.9 Ų | 109.9 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 28.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | L273 | L273-G275 PolarHBondContact O-N 3.04Š|
| 276 | A | 46.8 | Very low | 57.1 | Low | 90 Ų | 90 | 107.4 Ų | 107.4 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -17.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P274 | P274-A276 PolarHBondContact O-N 3.04Š|
| 277 | L | 48.7 | Very low | 54.8 | Low | 162 Ų | 162 | 110.3 Ų | 110.3 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -128.4 | 12.6 | -165.9 | -64.5 | 177.4 | 0 | 0 | 0 | 115.6 | | |
| 278 | C | 42.3 | Very low | 52 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | | | trans | -135.2 | 72.6 | -174 | -77.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 279 | N | 40.9 | Very low | 49.6 | Very low | 157 Ų | 157 | 110.5 Ų | 110.5 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | | | trans | -147.1 | 105.3 | 162.3 | -93.6 | -52.4 | 0 | 0 | 0 | 111 | G281 | N279-G281 PolarHBondContact O-N 3.3Å; N279-G281 VanDerWaalsContact O-N 3.15Å |
| 280 | P | 46.8 | Very low | 47 | Very low | 137 Ų | 137 | 113.6 Ų | 113.6 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | | | trans | -75.8 | 98.1 | 172.4 | -14.9 | 31 | 0 | 0 | 0 | 111.6 | | |
| 281 | G | 35.7 | Very low | 44.6 | Very low | 64 Ų | 64 | 115.4 Ų | 115.4 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | | | trans | 84.2 | 99.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | N279 | N279-G281 PolarHBondContact O-N 3.3Å; N279-G281 VanDerWaalsContact O-N 3.15Å |
| 282 | H | 33.3 | Very low | 42.5 | Very low | 203 Ų | 203 | 117.2 Ų | 117.2 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | | | | -151 | 120 | 128 | -101.1 | -65.4 | 0 | 0 | 0 | 108.5 | | |
| 283 | G | 28.5 | Very low | 41 | Very low | 81 Ų | 81 | 119.4 Ų | 119.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -92.3 | 144.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 284 | A | 33.3 | Very low | 39.1 | Very low | 104 Ų | 104 | 117.9 Ų | 117.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -134.9 | 134.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 285 | G | 32.1 | Very low | 38 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -72.7 | 156.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 286 | G | 32.3 | Very low | 37.7 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | 169.2 | 85.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 287 | E | 40.1 | Very low | 37.6 | Very low | 192 Ų | 192 | 122.5 Ų | 122.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | -59.2 | 134.3 | 177.9 | 47.3 | -95.4 | 54.4 | 0 | 0 | 113 | | |
| 288 | G | 32.3 | Very low | 37.2 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -179.1 | 86.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | P290 | G288-P290 WeakPolarHBondContact O-CD 3.36Š|
| 289 | K | 39 | Very low | 37.1 | Very low | 178 Ų | 178 | 124 Ų | 124 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | | | trans | -78.9 | 119.4 | 171.4 | -175.8 | -177.2 | 179.7 | -174.6 | 0 | 109.7 | E291 | K289-E291 IonicContact NZ-OE2 4Å; K289-E291 PolarHBondContact NZ-OE2 3.31Å |
| 290 | P | 34.6 | Very low | 37.3 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -129.1 | 160.5 | 132.5 | 37.2 | -29.6 | 0 | 0 | 0 | 112.2 | G288 | G288-P290 WeakPolarHBondContact O-CD 3.36Š|
| 291 | E | 33.8 | Very low | 37.3 | Very low | 158 Ų | 158 | 119.3 Ų | 119.3 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -105.1 | 135.9 | -171.7 | -168.7 | 160.7 | 86.6 | 0 | 0 | 110.1 | K289 | K289-E291 IonicContact NZ-OE2 4Å; K289-E291 PolarHBondContact NZ-OE2 3.31Å |
| 292 | C | 30.8 | Very low | 37.5 | Very low | 125 Ų | 125 | 124 Ų | 124 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -157 | 115.9 | 169 | -165.4 | 0 | 0 | 0 | 0 | 111.7 | G294 | C292-G294 PolarHBondContact O-N 2.77Š|
| 293 | S | 40.8 | Very low | 38.1 | Very low | 129 Ų | 129 | 117.4 Ų | 117.4 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | trans | -79.5 | 110.1 | 172.2 | -63 | 0 | 0 | 0 | 0 | 110.3 | | |
| 294 | G | 33.1 | Very low | 39.2 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | -121.7 | 131.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C292 | C292-G294 PolarHBondContact O-N 2.77Š|
| 295 | G | 37.3 | Very low | 39.8 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | -69.3 | 155.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q297 | G295-Q297 PolarHBondContact O-N 2.97Š|
| 296 | V | 48.1 | Very low | 40.2 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | | | trans | -69.6 | 94.9 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | L298 | V296-L298 PolarHBondContact O-N 3.12Š|
| 297 | Q | 44.7 | Very low | 40.3 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | trans | -73.2 | 98.7 | 175.9 | -170.2 | 62.7 | 66.6 | 0 | 0 | 109.9 | G295 | G295-Q297 PolarHBondContact O-N 2.97Š|
| 298 | L | 40.5 | Very low | 40.7 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | | | trans | -60.2 | 135.4 | 167.3 | -65.5 | 172.1 | 0 | 0 | 0 | 109.2 | V296 T300 | V296-L298 PolarHBondContact O-N 3.12Å; L298-T300 PolarHBondContact O-N 2.9Å |
| 299 | L | 41.3 | Very low | 41 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | -80.5 | 110.3 | -179.6 | -68.5 | 171.5 | 0 | 0 | 0 | 110.3 | | |
| 300 | T | 43.8 | Very low | 41 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 49% | 0.485 | 73% | 0.733 | S | S | . | * | | | trans | -71.6 | 149 | 169.2 | 22.4 | 0 | 0 | 0 | 0 | 111.5 | L298 E302 S303 | L298-T300 PolarHBondContact O-N 2.9Å; T300-E302 PolarHBondContact O-N 2.85Å; T300-S303 WeakPolarHBondContact O-CB 3.48Å; T300-S303 PolarHBondContact O-N 2.96Å; T300-S303 PolarHBondContact O-OG 3.07Å |
| 301 | P | 47.5 | Very low | 41.1 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -58.4 | -23.6 | -175.1 | -26.6 | 35.7 | 0 | 0 | 0 | 115.5 | S303 | P301-S303 PolarHBondContact O-N 3.47Å; P301-S303 VanDerWaalsContact O-N 3.12Å |
| 302 | E | 40.1 | Very low | 41.6 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -62.1 | -19.2 | -178.8 | -59.1 | 170.6 | 115.2 | 0 | 0 | 113.2 | T300 W304 G305 | T300-E302 PolarHBondContact O-N 2.85Å; E302-W304 PolarHBondContact O-N 3.12Å; E302-G305 PolarHBondContact O-N 3.41Å |
| 303 | S | 47 | Very low | 42.3 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 46% | 0.455 | 75% | 0.745 | S | S | . | * | G | 310 helix | trans | -64 | -9.8 | -176.6 | -52.1 | 0 | 0 | 0 | 0 | 115 | T300 P301 | T300-S303 WeakPolarHBondContact O-CB 3.48Å; T300-S303 PolarHBondContact O-N 2.96Å; T300-S303 PolarHBondContact O-OG 3.07Å; P301-S303 PolarHBondContact O-N 3.47Å; P301-S303 VanDerWaalsContact O-N 3.12Å |
| 304 | W | 49.7 | Very low | 41.7 | Very low | 235 Ų | 235 | 137.1 Ų | 137.1 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -101 | -2.6 | -173.7 | -67.1 | 9.9 | 0 | 0 | 0 | 114.1 | E302 | E302-W304 PolarHBondContact O-N 3.12Š|
| 305 | G | 47.7 | Very low | 41.5 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | | | trans | -90.9 | -13.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | E302 | E302-G305 PolarHBondContact O-N 3.41Š|
| 306 | T | 39.5 | Very low | 41.2 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | trans | -84.1 | 124.1 | -163.6 | -32.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 307 | P | 35.4 | Very low | 40.2 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 62% | 0.617 | 74% | 0.742 | S | S | * | * | | | trans | -69.6 | 144 | 179.5 | 27.3 | -34.3 | 0 | 0 | 0 | 113.2 | T309 | P307-T309 PolarHBondContact O-N 2.86Š|
| 308 | L | 47.1 | Very low | 40 | Very low | 178 Ų | 178 | 138 Ų | 138 | 93% | 0.932 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 48.9 | -173 | -163 | 84.5 | 0 | 0 | 0 | 113.8 | | |
| 309 | T | 39.8 | Very low | 39.3 | Very low | 93 Ų | 93 | 135 Ų | 135 | 57% | 0.571 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -35.1 | -174.5 | 46.3 | 0 | 0 | 0 | 0 | 115.3 | P307 | P307-T309 PolarHBondContact O-N 2.86Š|
| 310 | D | 38.4 | Very low | 38.4 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -100.4 | -13.3 | -162.6 | -73.9 | -81.4 | 0 | 0 | 0 | 116.3 | R312 R313 | D310-R312 PolarHBondContact O-N 3.23Å; D310-R313 PolarHBondContact O-N 3.05Å |
| 311 | L | 37.4 | Very low | 37.7 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 7.5 | 172.6 | -89.8 | 136.1 | 0 | 0 | 0 | 114.7 | | |
| 312 | R | 43.4 | Very low | 36.8 | Very low | 224 Ų | 224 | 137.8 Ų | 137.8 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 7.3 | 179.8 | -137.1 | -69.9 | -164.4 | 174.4 | 2.6 | 114 | D310 | D310-R312 PolarHBondContact O-N 3.23Š|
| 313 | R | 45.4 | Very low | 36.2 | Very low | 215 Ų | 215 | 133.8 Ų | 133.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -132.2 | 41 | -177.9 | -74.5 | -158 | -72.6 | -167.8 | -3.5 | 117.2 | D310 | D310-R313 PolarHBondContact O-N 3.05Š|
| 314 | K | 28.2 | Very low | 35.4 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -147.1 | 131.8 | 149.3 | -148.5 | 83.6 | 174.1 | -164.6 | 0 | 110.6 | | |
| 315 | A | 28.4 | Very low | 34.3 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | -119.8 | 122.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 316 | P | 32.3 | Very low | 33.3 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 125.2 | 169.8 | -12.3 | 28.9 | 0 | 0 | 0 | 110 | | |
| 317 | S | 27.7 | Very low | 32.8 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 148.3 | 163.2 | -69.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 318 | P | 39 | Very low | 32.4 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 147.7 | -170.5 | 31 | -36 | 0 | 0 | 0 | 113 | | |
| 319 | G | 27.1 | Very low | 31.4 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -157.3 | 116.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 320 | C | 22.1 | Very low | 30.7 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | | | trans | -82.5 | 166.6 | 162.1 | -145.1 | 0 | 0 | 0 | 0 | 107 | | |
| 321 | H | 29.5 | Very low | 30.1 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | cis | -152.3 | 162.6 | 28.6 | -53.6 | -106.1 | 0 | 0 | 0 | 112.5 | | |
| 322 | S | 28.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | 31.4 | 119.5 | 149.9 | -55.3 | 0 | 0 | 0 | 0 | 122 | | |
| 323 | G | 27.2 | Very low | 28.9 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | -167.2 | 124.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 324 | T | 28.8 | Very low | 28.1 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | | | trans | -107.4 | 148.5 | -167.2 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 325 | S | 27 | Very low | 28.2 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | trans | 72 | 146.1 | 161.4 | -84.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 326 | A | 27.7 | Very low | 28.3 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | | | cis | -160.2 | 174.4 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 327 | L | 27.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 117.2 Ų | 117.2 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | 62.4 | 102.9 | 154.5 | -63.5 | 174.9 | 0 | 0 | 0 | 120.8 | | |
| 328 | V | 28.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 117 Ų | 117 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | | 19.3 | 152.8 | 128.7 | -56.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 329 | S | 25.4 | Very low | 28.6 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 107.7 | 116.7 | 144.2 | -62.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 330 | S | 24.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -69 | 153.3 | 165.1 | -35.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 331 | T | 26 | Very low | 29 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | | -171.5 | 169.4 | 117.7 | 19.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 332 | S | 28.1 | Very low | 29 | Very low | 99 Ų | 99 | 117.4 Ų | 117.4 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -76.7 | 166.3 | -163.9 | 52 | 0 | 0 | 0 | 0 | 118 | | |
| 333 | S | 28.4 | Very low | 29 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 82 | 129 | 131.4 | 58.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 334 | A | 28.3 | Very low | 28.8 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | 107.3 | 125.3 | 130.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 335 | T | 29.4 | Very low | 28.9 | Very low | 141 Ų | 141 | 118.4 Ų | 118.4 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | 67.2 | 132.1 | 144 | 47.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 336 | S | 30.7 | Very low | 29.9 | Very low | 106 Ų | 106 | 118.1 Ų | 118.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -74.8 | 172.7 | 167.3 | -39.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 337 | P | 45.2 | Very low | 30 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | | -135.8 | -174.9 | 95.5 | 38.4 | -26.9 | 0 | 0 | 0 | 114.3 | | |
| 338 | S | 28.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -110.7 | -168.6 | -173.5 | -59.4 | 0 | 0 | 0 | 0 | 113 | | |
| 339 | E | 31.6 | Very low | 30.5 | Very low | 182 Ų | 182 | 115.4 Ų | 115.4 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | 90.3 | 143.9 | 172.1 | -52.3 | -144.7 | 119.2 | 0 | 0 | 116.3 | | |
| 340 | T | 30.4 | Very low | 31 | Very low | 128 Ų | 128 | 116.5 Ų | 116.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | cis | -139.1 | 174.3 | 2.5 | 14.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 341 | A | 28.1 | Very low | 31.4 | Very low | 96 Ų | 96 | 117.1 Ų | 117.1 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -92.7 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 342 | A | 29.3 | Very low | 32 | Very low | 89 Ų | 89 | 114 Ų | 114 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | cis | -133.9 | -114.6 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 343 | V | 27 | Very low | 32.3 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | cis | -156.5 | 165.2 | 4.4 | -144.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 344 | C | 24.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 58.6 | 108 | 158.3 | -65.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 345 | S | 30 | Very low | 33.7 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | -89.2 | -177 | 139.2 | -66.1 | 0 | 0 | 0 | 0 | 109 | | |
| 346 | P | 48 | Very low | 33.8 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | cis | -150.9 | -163.8 | 22.5 | 39.7 | -14 | 0 | 0 | 0 | 118.3 | | |
| 347 | S | 28.7 | Very low | 34.2 | Very low | 99 Ų | 99 | 123 Ų | 123 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | 99.9 | 100.5 | 146.9 | -62.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 348 | S | 31.7 | Very low | 33.5 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | | 68.6 | 123.9 | 114.7 | -53.7 | 0 | 0 | 0 | 0 | 125.5 | | |
| 349 | S | 35.4 | Very low | 34 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | | 90 | 110.5 | 123.5 | 62.1 | 0 | 0 | 0 | 0 | 125.4 | | |
| 350 | T | 36 | Very low | 33.8 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | | 82.3 | 154 | 125.9 | 59.5 | 0 | 0 | 0 | 0 | 125.1 | | |
| 351 | S | 32.9 | Very low | 33.7 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | 100.9 | 147.7 | 155.3 | -158.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 352 | A | 39.8 | Very low | 33.7 | Very low | 81 Ų | 81 | 130 Ų | 130 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | cis | -176.9 | 150.6 | -43.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 353 | K | 32.5 | Very low | 34.5 | Very low | 211 Ų | 211 | 130.9 Ų | 130.9 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | | | trans | -174 | 170.1 | 150.1 | -107.8 | 158.3 | -174.3 | 175.6 | 0 | 114.5 | | |
| 354 | I | 35.5 | Very low | 34.6 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -148.8 | -163 | -160.1 | 4.9 | 172.8 | 0 | 0 | 0 | 109.9 | | |
| 355 | P | 50.7 | Low | 34.9 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | | -127.2 | 179.1 | -61.4 | 38.7 | -23.4 | 0 | 0 | 0 | 113.7 | | |
| 356 | T | 31.9 | Very low | 35.4 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | | | trans | 172.1 | 163.5 | 133.9 | 30.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 357 | P | 39.7 | Very low | 34.8 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -141.3 | 153.5 | -158.1 | 41.3 | -22.2 | 0 | 0 | 0 | 121.3 | | |
| 358 | R | 29.9 | Very low | 35.5 | Very low | 245 Ų | 245 | 134.4 Ų | 134.4 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | 60.7 | -179.7 | 154.8 | -65.3 | -178.1 | 175.1 | 179.4 | -1.1 | 116.8 | | |
| 359 | P | 40.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | cis | -134.4 | -179.7 | -7 | 44.4 | -27.8 | 0 | 0 | 0 | 117.4 | | |
| 360 | H | 27.6 | Very low | 35.6 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | 77.5 | 149.3 | 142.1 | -130.6 | -126.8 | 0 | 0 | 0 | 125.8 | | |
| 361 | E | 27.2 | Very low | 35.7 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | 70.6 | 167.7 | 155.5 | -100.5 | 150 | 177.2 | 0 | 0 | 124.6 | | |
| 362 | S | 28.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -164.3 | 173.9 | -155.1 | -172 | 0 | 0 | 0 | 0 | 109.1 | | |
| 363 | P | 45.6 | Very low | 35.5 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | cis | -122.3 | -177.8 | -13.4 | 40 | -25.8 | 0 | 0 | 0 | 113.3 | | |
| 364 | T | 29.6 | Very low | 35.7 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 179.1 | 157.3 | 144.4 | -80.9 | 0 | 0 | 0 | 0 | 112 | | |
| 365 | L | 32.2 | Very low | 35.9 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -112.1 | 173.4 | -177.5 | -63 | 169.8 | 0 | 0 | 0 | 112 | | |
| 366 | P | 40.8 | Very low | 35.4 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | cis | -110 | -112.8 | -14.6 | 40 | -22.8 | 0 | 0 | 0 | 108.4 | | |
| 367 | P | 34.9 | Very low | 36.1 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | cis | -108.7 | 169 | -23.1 | 41 | -29.8 | 0 | 0 | 0 | 114.3 | | |
| 368 | P | 43.5 | Very low | 36 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -105.8 | 144.4 | -180 | 37.9 | -31.8 | 0 | 0 | 0 | 115.5 | | |
| 369 | P | 35 | Very low | 36.5 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | trans | -137.3 | 130.1 | 149.2 | 32.8 | -16.2 | 0 | 0 | 0 | 115.3 | | |
| 370 | V | 34.8 | Very low | 36.6 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | trans | 39.5 | 117.6 | 148.4 | -161.8 | 0 | 0 | 0 | 0 | 120.3 | L372 | V370-L372 PolarHBondContact O-N 3.06Š|
| 371 | P | 37.2 | Very low | 38.1 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -66.1 | 115.9 | 159.5 | -18.1 | 32.4 | 0 | 0 | 0 | 112.1 | | |
| 372 | L | 33.8 | Very low | 39.8 | Very low | 158 Ų | 158 | 122 Ų | 122 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 165.6 | 173 | -74.9 | 160.3 | 0 | 0 | 0 | 112.1 | V370 | V370-L372 PolarHBondContact O-N 3.06Š|
| 373 | H | 35.6 | Very low | 41.9 | Very low | 179 Ų | 179 | 120 Ų | 120 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.3 | 175.5 | -72.9 | -162.6 | 0 | 0 | 0 | 112.6 | | |
| 374 | P | 36.6 | Very low | 43.4 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 142.5 | 155.9 | -19.3 | 33 | 0 | 0 | 0 | 111 | | |
| 375 | P | 38.8 | Very low | 46 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 160.6 | -169 | 32.5 | -36.8 | 0 | 0 | 0 | 114.4 | | |
| 376 | V | 40.8 | Very low | 48.6 | Very low | 154 Ų | 154 | 111 Ų | 111 | 93% | 0.933 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -75.7 | 135.6 | 166.4 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 377 | G | 47 | Very low | 50.7 | Low | 67 Ų | 67 | 112.2 Ų | 112.2 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | | | trans | 134.2 | 46.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 378 | V | 37.5 | Very low | 52.8 | Low | 132 Ų | 132 | 108.2 Ų | 108.2 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | | | trans | -141 | 125.4 | 155.6 | -167.8 | 0 | 0 | 0 | 0 | 110.9 | S380 | V378-S380 PolarHBondContact O-N 2.97Š|
| 379 | P | 40 | Very low | 54.3 | Low | 127 Ų | 127 | 109.1 Ų | 109.1 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | | | trans | -85.4 | 92.1 | 169.8 | 33.1 | -31 | 0 | 0 | 0 | 110.7 | G381 | P379-G381 PolarHBondContact O-N 3.09Å; P379-G381 VanDerWaalsContact O-N 3.09Å |
| 380 | S | 41.4 | Very low | 56.3 | Low | 99 Ų | 99 | 115.1 Ų | 115.1 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | | | trans | -77.3 | 93.4 | 172.9 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | V378 S382 | V378-S380 PolarHBondContact O-N 2.97Å; S380-S382 PolarHBondContact O-N 2.97Å |
| 381 | G | 60.2 | Low | 58.7 | Low | 85 Ų | 85 | 110.8 Ų | 110.8 | 88% | 0.876 | 68% | 0.675 | S | S | * | * | | | trans | -76.8 | 26 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | P379 | P379-G381 PolarHBondContact O-N 3.09Å; P379-G381 VanDerWaalsContact O-N 3.09Å |
| 382 | S | 61.7 | Low | 60.9 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 58% | 0.58 | 66% | 0.662 | S | S | * | * | | | trans | -116.5 | 129.7 | -178.3 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | S380 | S380-S382 PolarHBondContact O-N 2.97Š|
| 383 | P | 73.7 | Confident | 63.1 | Low | 65 Ų | 65 | 103.8 Ų | 103.8 | 42% | 0.422 | 64% | 0.635 | S | S | . | * | | | trans | -67.5 | 140.9 | 171.6 | 29 | -33.7 | 0 | 0 | 0 | 109.7 | P394 | P383-P394 HydrophobicContact CB-CB 4.37Å; P383-P394 HydrophobicContact CG-CB 4.04Å; P383-P394 HydrophobicContact CG-CG 4.45Å |
| 384 | P | 76.4 | Confident | 65.7 | Low | 88 Ų | 88 | 96.9 Ų | 96.9 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | | | trans | -62.3 | 140.5 | -179.6 | 23.7 | -32.5 | 0 | 0 | 0 | 111.3 | L395 | P384-L395 HydrophobicContact CB-CD1 4.08Å; P384-L395 HydrophobicContact CG-CB 4.28Å; P384-L395 HydrophobicContact CG-CD1 3.81Å; P384-L395 WeakPolarHBondContact O-CB 3.32Å; P384-L395 PolarHBondContact O-N 2.85Å |
| 385 | M | 84.2 | Confident | 67.7 | Low | 100 Ų | 100 | 94.6 Ų | 94.6 | 49% | 0.493 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 141.5 | -170 | -60.5 | -69.9 | -78.9 | 0 | 0 | 112 | P392 P394 | M385-P392 HydrophobicContact CE-CB 3.67Å; M385-P394 HydrophobicContact CE-CG 4.31Å; M385-P394 HydrophobicContact SD-CB 4.11Å; M385-P394 HydrophobicContact SD-CG 3.72Å |
| 386 | V | 87.4 | Confident | 69.8 | Low | 31 Ų | 31 | 92 Ų | 92 | 19% | 0.188 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 137 | 171.9 | -170.6 | 0 | 0 | 0 | 0 | 109 | T388 P392 M393 L395 F398 | V386-T388 PolarHBondContact O-N 3.05Å; V386-P392 CarbonylContact O-C 3.6Å; V386-P392 WeakPolarHBondContact O-CA 3.42Å; V386-M393 PolarHBondContact N-O 3.47Å; V386-M393 PolarHBondContact O-N 3.1Å; V386-L395 HydrophobicContact CG2-CB 4.33Å; V386-L395 HydrophobicContact CG2-CD2 3.54Å; V386-L395 HydrophobicContact CG2-CG 3.52Å; V386-F398 HydrophobicContact CB-CB 4.42Å; V386-F398 HydrophobicContact CB-CD1 4.44Å; V386-F398 HydrophobicContact CB-CG 4.21Å; V386-F398 HydrophobicContact CG1-CD1 4.23Å; V386-F398 HydrophobicContact CG1-CD2 4.28Å; V386-F398 HydrophobicContact CG1-CE1 4.26Å; V386-F398 HydrophobicContact CG1-CE2 4.31Å; V386-F398 HydrophobicContact CG1-CG 4.23Å; V386-F398 HydrophobicContact CG1-CZ 4.29Å; V386-F398 HydrophobicContact CG2-CB 4.04Å; V386-F398 HydrophobicContact CG2-CD1 3.93Å; V386-F398 HydrophobicContact CG2-CG 3.99Å |
| 387 | M | 83.6 | Confident | 71.6 | Confident | 142 Ų | 142 | 88.9 Ų | 88.9 | 70% | 0.7 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 116.2 | 165.5 | -66 | -58.7 | 139.8 | 0 | 0 | 109.7 | P392 | M387-P392 HydrophobicContact CE-CB 3.79Å; M387-P392 HydrophobicContact CE-CG 3.84Å; M387-P392 HydrophobicContact SD-CB 4.14Å; M387-P392 HydrophobicContact SD-CG 3.87Å |
| 388 | T | 79.6 | Confident | 73.3 | Confident | 29 Ų | 29 | 88.7 Ų | 88.7 | 18% | 0.178 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 162.1 | 170.2 | 77.3 | 0 | 0 | 0 | 0 | 109.2 | V386 R390 G391 M393 F398 | V386-T388 PolarHBondContact O-N 3.05Å; T388-R390 PolarHBondContact O-N 3.24Å; T388-R390 PolarHBondContact OG1-N 3.04Å; T388-R390 VanDerWaalsContact OG1-N 3.12Å; T388-G391 PolarHBondContact N-O 3.03Å; T388-G391 PolarHBondContact O-N 2.96Å; T388-G391 PolarHBondContact OG1-N 2.78Å; T388-G391 PolarHBondContact OG1-O 3.1Å; T388-M393 HydrophobicContact CG2-CB 3.81Å; T388-M393 HydrophobicContact CG2-SD 4.2Å; T388-F398 HydrophobicContact CG2-CD2 3.73Å; T388-F398 HydrophobicContact CG2-CE2 4.01Å |
| 389 | P | 74.3 | Confident | 75.4 | Confident | 142 Ų | 142 | 88.6 Ų | 88.6 | 92% | 0.922 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 4.6 | 169.9 | 28 | -35.9 | 0 | 0 | 0 | 114.2 | | |
| 390 | R | 78.1 | Confident | 77.4 | Confident | 242 Ų | 242 | 87.4 Ų | 87.4 | 91% | 0.913 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 6.3 | 168 | -80.4 | -179 | 157.2 | 78.7 | 1.1 | 113.3 | T388 | T388-R390 PolarHBondContact O-N 3.24Å; T388-R390 PolarHBondContact OG1-N 3.04Å; T388-R390 VanDerWaalsContact OG1-N 3.12Å |
| 391 | G | 85.1 | Confident | 79.2 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 28% | 0.278 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.5 | -172.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T388 | T388-G391 PolarHBondContact N-O 3.03Å; T388-G391 PolarHBondContact O-N 2.96Å; T388-G391 PolarHBondContact OG1-N 2.78Å; T388-G391 PolarHBondContact OG1-O 3.1Å |
| 392 | P | 82.8 | Confident | 79.8 | Confident | 87 Ų | 87 | 87.8 Ų | 87.8 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 129.8 | 179.7 | -16.8 | 30.4 | 0 | 0 | 0 | 112 | M385 V386 M387 | M385-P392 HydrophobicContact CE-CB 3.67Å; V386-P392 CarbonylContact O-C 3.6Å; V386-P392 WeakPolarHBondContact O-CA 3.42Å; M387-P392 HydrophobicContact CE-CB 3.79Å; M387-P392 HydrophobicContact CE-CG 3.84Å; M387-P392 HydrophobicContact SD-CB 4.14Å; M387-P392 HydrophobicContact SD-CG 3.87Å |
| 393 | M | 81.5 | Confident | 80.2 | Confident | 53 Ų | 53 | 88.7 Ų | 88.7 | 26% | 0.261 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.7 | -179.5 | -169.8 | 177.9 | -169.6 | 0 | 0 | 110.9 | V386 T388 L395 L397 F398 H401 | V386-M393 PolarHBondContact N-O 3.47Å; V386-M393 PolarHBondContact O-N 3.1Å; T388-M393 HydrophobicContact CG2-CB 3.81Å; T388-M393 HydrophobicContact CG2-SD 4.2Å; M393-L395 PolarHBondContact O-N 3.32Å; M393-L397 HydrophobicContact CE-CB 3.87Å; M393-L397 HydrophobicContact CG-CB 4.44Å; M393-F398 HydrophobicContact CG-CB 4.39Å; M393-F398 HydrophobicContact SD-CB 4.18Å; M393-F398 HydrophobicContact SD-CD2 4.4Å; M393-H401 HydrophobicContact CE-CB 4.21Å |
| 394 | P | 88.3 | Confident | 80 | Confident | 33 Ų | 33 | 90.9 Ų | 90.9 | 21% | 0.214 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137.1 | 177.5 | -26 | 34.2 | 0 | 0 | 0 | 112.8 | P383 M385 P396 L397 F398 | P383-P394 HydrophobicContact CB-CB 4.37Å; P383-P394 HydrophobicContact CG-CB 4.04Å; P383-P394 HydrophobicContact CG-CG 4.45Å; M385-P394 HydrophobicContact CE-CG 4.31Å; M385-P394 HydrophobicContact SD-CB 4.11Å; M385-P394 HydrophobicContact SD-CG 3.72Å; P394-P396 VanDerWaalsContact C-CD 3.46Å; P394-P396 VanDerWaalsContact C-N 3.34Å; P394-L397 HydrophobicContact CB-CD1 4.36Å; P394-L397 HydrophobicContact CB-CG 4.34Å; P394-L397 HydrophobicContact CG-CD1 4.07Å; P394-L397 PolarHBondContact O-N 2.94Å; P394-F398 PolarHBondContact O-N 3.02Å |
| 395 | L | 79 | Confident | 79.4 | Confident | 74 Ų | 74 | 92.6 Ų | 92.6 | 39% | 0.387 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -49.8 | -44.2 | 179.3 | -108.3 | 173.3 | 0 | 0 | 0 | 114 | P384 V386 M393 L397 F398 M399 | P384-L395 HydrophobicContact CB-CD1 4.08Å; P384-L395 HydrophobicContact CG-CB 4.28Å; P384-L395 HydrophobicContact CG-CD1 3.81Å; P384-L395 WeakPolarHBondContact O-CB 3.32Å; P384-L395 PolarHBondContact O-N 2.85Å; V386-L395 HydrophobicContact CG2-CB 4.33Å; V386-L395 HydrophobicContact CG2-CD2 3.54Å; V386-L395 HydrophobicContact CG2-CG 3.52Å; M393-L395 PolarHBondContact O-N 3.32Å; L395-L397 PolarHBondContact O-N 3.38Å; L395-F398 PolarHBondContact O-N 3.25Å; L395-M399 VanDerWaalsContact O-CB 3.27Å; L395-M399 WeakPolarHBondContact O-CB 3.37Å; L395-M399 PolarHBondContact O-N 3.38Å |
| 396 | P | 83.8 | Confident | 78.1 | Confident | 73 Ų | 73 | 95 Ų | 95 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 176.9 | -25.7 | 35.7 | 0 | 0 | 0 | 112.6 | P394 M399 E400 | P394-P396 VanDerWaalsContact C-CD 3.46Å; P394-P396 VanDerWaalsContact C-N 3.34Å; P396-M399 PolarHBondContact O-N 3.04Å; P396-E400 WeakPolarHBondContact O-CB 3.17Å; P396-E400 PolarHBondContact O-N 3.17Å |
| 397 | L | 78 | Confident | 76.4 | Confident | 87 Ų | 87 | 99.5 Ų | 99.5 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.7 | -36.4 | -179.6 | -59.4 | -179.3 | 0 | 0 | 0 | 112 | M393 P394 L395 E400 H401 | M393-L397 HydrophobicContact CE-CB 3.87Å; M393-L397 HydrophobicContact CG-CB 4.44Å; P394-L397 HydrophobicContact CB-CD1 4.36Å; P394-L397 HydrophobicContact CB-CG 4.34Å; P394-L397 HydrophobicContact CG-CD1 4.07Å; P394-L397 PolarHBondContact O-N 2.94Å; L395-L397 PolarHBondContact O-N 3.38Å; L397-E400 PolarHBondContact O-N 3.12Å; L397-H401 WeakPolarHBondContact O-CB 3.47Å; L397-H401 PolarHBondContact O-N 2.97Å |
| 398 | F | 83.3 | Confident | 74.8 | Confident | 64 Ų | 64 | 102.7 Ų | 102.7 | 28% | 0.281 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 173.3 | 176.1 | -101.1 | 0 | 0 | 0 | 111.4 | V386 T388 M393 P394 L395 H401 Q402 | V386-F398 HydrophobicContact CB-CB 4.42Å; V386-F398 HydrophobicContact CB-CD1 4.44Å; V386-F398 HydrophobicContact CB-CG 4.21Å; V386-F398 HydrophobicContact CG1-CD1 4.23Å; V386-F398 HydrophobicContact CG1-CD2 4.28Å; V386-F398 HydrophobicContact CG1-CE1 4.26Å; V386-F398 HydrophobicContact CG1-CE2 4.31Å; V386-F398 HydrophobicContact CG1-CG 4.23Å; V386-F398 HydrophobicContact CG1-CZ 4.29Å; V386-F398 HydrophobicContact CG2-CB 4.04Å; V386-F398 HydrophobicContact CG2-CD1 3.93Å; V386-F398 HydrophobicContact CG2-CG 3.99Å; T388-F398 HydrophobicContact CG2-CD2 3.73Å; T388-F398 HydrophobicContact CG2-CE2 4.01Å; M393-F398 HydrophobicContact CG-CB 4.39Å; M393-F398 HydrophobicContact SD-CB 4.18Å; M393-F398 HydrophobicContact SD-CD2 4.4Å; P394-F398 PolarHBondContact O-N 3.02Å; L395-F398 PolarHBondContact O-N 3.25Å; F398-H401 PolarHBondContact O-N 2.78Å; F398-Q402 HydrophobicContact CD1-CG 4.41Å; F398-Q402 HydrophobicContact CE1-CG 4.06Å; F398-Q402 HydrophobicContact CZ-CG 4.17Å; F398-Q402 WeakPolarHBondContact O-CB 3.28Å; F398-Q402 WeakPolarHBondContact O-CG 3.31Å; F398-Q402 PolarHBondContact O-N 2.8Å |
| 399 | M | 81.9 | Confident | 72.9 | Confident | 130 Ų | 130 | 105.4 Ų | 105.4 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.4 | -33.7 | 179.1 | -163.5 | 163.2 | 62.8 | 0 | 0 | 112 | L395 P396 Q402 M403 | L395-M399 VanDerWaalsContact O-CB 3.27Å; L395-M399 WeakPolarHBondContact O-CB 3.37Å; L395-M399 PolarHBondContact O-N 3.38Å; P396-M399 PolarHBondContact O-N 3.04Å; M399-Q402 WeakPolarHBondContact O-CB 3.33Å; M399-M403 PolarHBondContact O-N 3.06Å; M399-M403 VanDerWaalsContact O-N 3.11Å |
| 400 | E | 81.7 | Confident | 71.2 | Confident | 102 Ų | 102 | 104.8 Ų | 104.8 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 168.5 | 177.8 | 159.1 | 92.3 | 0 | 0 | 112.1 | P396 L397 Q402 M403 M404 | P396-E400 WeakPolarHBondContact O-CB 3.17Å; P396-E400 PolarHBondContact O-N 3.17Å; L397-E400 PolarHBondContact O-N 3.12Å; E400-Q402 VanDerWaalsContact C-N 3.3Å; E400-Q402 PolarHBondContact O-N 3.36Å; E400-M403 HydrophobicContact CB-CE 4.08Å; E400-M403 HydrophobicContact CG-CE 3.8Å; E400-M403 WeakPolarHBondContact O-CG 3.31Å; E400-M403 PolarHBondContact O-N 2.72Å; E400-M404 WeakPolarHBondContact O-CB 3.45Å; E400-M404 PolarHBondContact O-N 3.29Å |
| 401 | H | 78 | Confident | 69.4 | Low | 97 Ų | 97 | 101.7 Ų | 101.7 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | -180 | -153 | 96.2 | 0 | 0 | 0 | 111.9 | M393 L397 F398 M404 Q405 | M393-H401 HydrophobicContact CE-CB 4.21Å; L397-H401 WeakPolarHBondContact O-CB 3.47Å; L397-H401 PolarHBondContact O-N 2.97Å; F398-H401 PolarHBondContact O-N 2.78Å; H401-M404 PolarHBondContact O-N 3.31Å; H401-Q405 PolarHBondContact CD2-NE2 3.26Å; H401-Q405 PolarHBondContact NE2-NE2 3.03Å; H401-Q405 WeakPolarHBondContact O-CG 3.4Å; H401-Q405 PolarHBondContact O-N 3.25Å |
| 402 | Q | 73.8 | Confident | 67.2 | Low | 94 Ų | 94 | 107.7 Ų | 107.7 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 168.9 | -80.9 | -82.7 | -17.2 | 0 | 0 | 112.1 | F398 M399 E400 M404 Q405 Q406 | F398-Q402 HydrophobicContact CD1-CG 4.41Å; F398-Q402 HydrophobicContact CE1-CG 4.06Å; F398-Q402 HydrophobicContact CZ-CG 4.17Å; F398-Q402 WeakPolarHBondContact O-CB 3.28Å; F398-Q402 WeakPolarHBondContact O-CG 3.31Å; F398-Q402 PolarHBondContact O-N 2.8Å; M399-Q402 WeakPolarHBondContact O-CB 3.33Å; E400-Q402 VanDerWaalsContact C-N 3.3Å; E400-Q402 PolarHBondContact O-N 3.36Å; Q402-M404 VanDerWaalsContact C-N 3.33Å; Q402-M404 PolarHBondContact O-N 3.45Å; Q402-Q405 PolarHBondContact O-N 2.87Å; Q402-Q406 WeakPolarHBondContact O-CG 3.34Å; Q402-Q406 PolarHBondContact O-N 3.23Å |
| 403 | M | 70.3 | Confident | 64.9 | Low | 103 Ų | 103 | 115 Ų | 115 | 51% | 0.507 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.9 | -34.1 | 179.5 | 64.8 | 171.9 | -176.7 | 0 | 0 | 112.5 | M399 E400 Q406 I407 | M399-M403 PolarHBondContact O-N 3.06Å; M399-M403 VanDerWaalsContact O-N 3.11Å; E400-M403 HydrophobicContact CB-CE 4.08Å; E400-M403 HydrophobicContact CG-CE 3.8Å; E400-M403 WeakPolarHBondContact O-CG 3.31Å; E400-M403 PolarHBondContact O-N 2.72Å; M403-Q406 PolarHBondContact O-N 2.92Å; M403-I407 WeakPolarHBondContact O-CD1 3.33Å; M403-I407 WeakPolarHBondContact O-CG1 3.45Å |
| 404 | M | 68.6 | Low | 62.6 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 55% | 0.547 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.6 | -41.2 | 177.5 | -160.3 | 102.9 | -50.5 | 0 | 0 | 112.3 | E400 H401 Q402 Q406 I407 | E400-M404 WeakPolarHBondContact O-CB 3.45Å; E400-M404 PolarHBondContact O-N 3.29Å; H401-M404 PolarHBondContact O-N 3.31Å; Q402-M404 VanDerWaalsContact C-N 3.33Å; Q402-M404 PolarHBondContact O-N 3.45Å; M404-Q406 VanDerWaalsContact C-N 3.33Å; M404-Q406 PolarHBondContact O-N 3.21Å; M404-I407 HydrophobicContact CE-CD1 4.32Å; M404-I407 PolarHBondContact O-N 3.41Å |
| 405 | Q | 64.3 | Low | 59.8 | Low | 124 Ų | 124 | 122.6 Ų | 122.6 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.9 | -33 | 176.9 | -73 | -166.7 | 13.6 | 0 | 0 | 112.6 | H401 Q402 I407 R408 | H401-Q405 PolarHBondContact CD2-NE2 3.26Å; H401-Q405 PolarHBondContact NE2-NE2 3.03Å; H401-Q405 WeakPolarHBondContact O-CG 3.4Å; H401-Q405 PolarHBondContact O-N 3.25Å; Q402-Q405 PolarHBondContact O-N 2.87Å; Q405-I407 PolarHBondContact O-N 3.38Å; Q405-R408 PolarHBondContact O-N 3.23Å |
| 406 | Q | 56.9 | Low | 57.6 | Low | 150 Ų | 150 | 122.8 Ų | 122.8 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -5.4 | 175.3 | -68 | -173.6 | 27.3 | 0 | 0 | 114.5 | Q402 M403 M404 | Q402-Q406 WeakPolarHBondContact O-CG 3.34Å; Q402-Q406 PolarHBondContact O-N 3.23Å; M403-Q406 PolarHBondContact O-N 2.92Å; M404-Q406 VanDerWaalsContact C-N 3.33Å; M404-Q406 PolarHBondContact O-N 3.21Å |
| 407 | I | 51.3 | Low | 55.3 | Low | 126 Ų | 126 | 128.3 Ų | 128.3 | 65% | 0.646 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -15.8 | 179.4 | -68.6 | 165.4 | 0 | 0 | 0 | 112.4 | M403 M404 Q405 | M403-I407 WeakPolarHBondContact O-CD1 3.33Å; M403-I407 WeakPolarHBondContact O-CG1 3.45Å; M404-I407 HydrophobicContact CE-CD1 4.32Å; M404-I407 PolarHBondContact O-N 3.41Å; Q405-I407 PolarHBondContact O-N 3.38Å |
| 408 | R | 50.3 | Low | 53.4 | Low | 209 Ų | 209 | 129.9 Ų | 129.9 | 79% | 0.789 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -75.1 | 132.1 | 171.7 | -82.9 | -173.8 | 170.6 | 132.3 | -1.2 | 111.2 | Q405 | Q405-R408 PolarHBondContact O-N 3.23Š|
| 409 | P | 39.3 | Very low | 50.9 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | | | trans | -71.3 | 139.1 | 174.2 | 29.2 | -34.1 | 0 | 0 | 0 | 111.2 | F411 | P409-F411 HydrophobicContact CB-CD2 4.25Å; P409-F411 HydrophobicContact CB-CE2 4.01Å; P409-F411 HydrophobicContact CG-CD2 3.84Å; P409-F411 HydrophobicContact CG-CE2 3.53Å; P409-F411 PolarHBondContact O-N 3.37Å |
| 410 | P | 39.8 | Very low | 48.3 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 84% | 0.844 | 70% | 0.696 | S | S | * | * | | | trans | -78.4 | 87.4 | 177 | 31.8 | -34.4 | 0 | 0 | 0 | 110.8 | L412 | P410-L412 PolarHBondContact O-N 2.81Š|
| 411 | F | 39 | Very low | 46.5 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 77% | 0.772 | 71% | 0.708 | S | S | * | * | | | trans | -78.7 | 102.3 | 170.8 | -78.9 | -68.7 | 0 | 0 | 0 | 111.2 | P409 | P409-F411 HydrophobicContact CB-CD2 4.25Å; P409-F411 HydrophobicContact CB-CE2 4.01Å; P409-F411 HydrophobicContact CG-CD2 3.84Å; P409-F411 HydrophobicContact CG-CE2 3.53Å; P409-F411 PolarHBondContact O-N 3.37Å |
| 412 | L | 38.6 | Very low | 44.2 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | | | trans | 30.8 | 101.7 | 151.8 | -56.8 | 179.6 | 0 | 0 | 0 | 117.4 | P410 P414 | P410-L412 PolarHBondContact O-N 2.81Å; L412-P414 WeakPolarHBondContact O-CD 3.48Å |
| 413 | R | 35.2 | Very low | 42.3 | Very low | 240 Ų | 240 | 132.2 Ų | 132.2 | 91% | 0.906 | 74% | 0.741 | S | S | * | * | | | trans | -67.1 | 125.3 | 159.6 | -169.7 | -174.9 | -153.6 | 145.8 | 3.6 | 109.2 | | |
| 414 | P | 33 | Very low | 41.1 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | -66.1 | 141.7 | 170.8 | -18.9 | 32.2 | 0 | 0 | 0 | 110.9 | L412 | L412-P414 WeakPolarHBondContact O-CD 3.48Š|
| 415 | S | 29.4 | Very low | 39.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | -132.8 | 142.6 | 161.4 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 416 | A | 34.4 | Very low | 37.8 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | | | trans | -72.1 | 154.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 417 | H | 34.8 | Very low | 36.5 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | | -173.7 | 165.6 | 123 | -88.9 | -54.1 | 0 | 0 | 0 | 109.7 | | |
| 418 | P | 36.8 | Very low | 36.2 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -112.6 | 159.5 | -142.7 | 40.3 | -35.7 | 0 | 0 | 0 | 118.2 | | |
| 419 | G | 31.3 | Very low | 35.4 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | 80.9 | 142.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 420 | G | 28.5 | Very low | 35.2 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | cis | 111.3 | 142.4 | 6.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 421 | P | 42.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | cis | -126.4 | -157.6 | 5.6 | 40.1 | -21.5 | 0 | 0 | 0 | 113.9 | | |
| 422 | N | 30.8 | Very low | 35 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | 78.4 | 90.3 | 166.4 | -55.3 | -22.7 | 0 | 0 | 0 | 118.5 | | |
| 423 | S | 33.8 | Very low | 34.8 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -104 | 163.1 | 148.3 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 424 | P | 44.4 | Very low | 35.3 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | | -146.9 | 155.8 | 102.8 | 38.4 | -23.8 | 0 | 0 | 0 | 115.8 | | |
| 425 | L | 33.7 | Very low | 35.7 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 62.8 | 111.6 | 154.7 | -62.1 | 162.3 | 0 | 0 | 0 | 117 | | |
| 426 | S | 30.7 | Very low | 36.4 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | | 96.4 | 101.2 | 65.1 | -76.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 427 | N | 29 | Very low | 37 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | | 22.4 | 156.4 | 128.7 | -99.8 | -8.3 | 0 | 0 | 0 | 121.6 | | |
| 428 | P | 45.1 | Very low | 37.6 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | | | cis | -145.6 | -178.1 | -5.9 | 42 | -22 | 0 | 0 | 0 | 116.8 | | |
| 429 | I | 33.6 | Very low | 37.9 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | 70.6 | 134.8 | 136.8 | -97.1 | 164.7 | 0 | 0 | 0 | 123.6 | | |
| 430 | I | 35 | Very low | 38 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | | | trans | 50.3 | 106.6 | 156.5 | -58.9 | 168 | 0 | 0 | 0 | 118.7 | G432 | I430-G432 PolarHBondContact O-N 2.85Š|
| 431 | P | 34.3 | Very low | 38.4 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 90% | 0.896 | 76% | 0.759 | S | S | * | * | | | trans | -71.5 | 121.7 | 157 | -9.1 | 26.2 | 0 | 0 | 0 | 110.1 | | |
| 432 | G | 40.3 | Very low | 38 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | trans | -166.4 | -20.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | I430 | I430-G432 PolarHBondContact O-N 2.85Š|
| 433 | I | 34.1 | Very low | 38.1 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 89% | 0.892 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -146.8 | 148.6 | 172.1 | -83.9 | 115.2 | 0 | 0 | 0 | 107.9 | | |
| 434 | G | 44.9 | Very low | 38.4 | Very low | 53 Ų | 53 | 126.9 Ų | 126.9 | 55% | 0.546 | 77% | 0.771 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 167.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 435 | P | 43.1 | Very low | 37.7 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 141.3 | -173.7 | 27.3 | -35.2 | 0 | 0 | 0 | 112.9 | | |
| 436 | P | 42.6 | Very low | 37.6 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 145.8 | 174.4 | 31.7 | -34.6 | 0 | 0 | 0 | 111.8 | | |
| 437 | P | 46.9 | Very low | 37.6 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 156.5 | 175 | 33.3 | -35.2 | 0 | 0 | 0 | 112.7 | | |
| 438 | P | 47.1 | Very low | 38.7 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 159 | 173.2 | 31.8 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 439 | P | 44.6 | Very low | 37.9 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 141.3 | -161.7 | 34.1 | -36 | 0 | 0 | 0 | 115.3 | | |
| 440 | R | 33.8 | Very low | 38 | Very low | 233 Ų | 233 | 126.3 Ų | 126.3 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | trans | -169.7 | 122.9 | 140.4 | -109.1 | 159.5 | -178.9 | 127.9 | 0.2 | 114 | | |
| 441 | T | 35.9 | Very low | 38 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | 31.2 | 129.7 | 137.9 | 56.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 442 | L | 35.1 | Very low | 38.1 | Very low | 181 Ų | 181 | 129 Ų | 129 | 95% | 0.948 | 78% | 0.778 | S | S | * | * | | | trans | 75.8 | 135.7 | 153.6 | -59.5 | 160.2 | 0 | 0 | 0 | 118.7 | | |
| 443 | G | 32.1 | Very low | 37.9 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | 124.3 | 127.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 444 | P | 41.2 | Very low | 38.1 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | trans | -114.6 | 167.3 | -179.5 | 40.4 | -33.1 | 0 | 0 | 0 | 116.8 | | |
| 445 | A | 29.1 | Very low | 37.4 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | 94.4 | 147.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 446 | S | 31.4 | Very low | 37.9 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | 67 | 96.9 | 155.5 | 42.4 | 0 | 0 | 0 | 0 | 123.5 | | |
| 447 | S | 31 | Very low | 37.4 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | | 7.9 | 167.1 | 102.6 | -66.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 448 | P | 51.1 | Low | 36.8 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | cis | -145.9 | -174.6 | -23.1 | 36.4 | -14.2 | 0 | 0 | 0 | 117.2 | | |
| 449 | M | 29.8 | Very low | 36 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | 69.2 | 166.1 | 160.9 | -48.5 | -157.2 | 87.5 | 0 | 0 | 118.2 | | |
| 450 | H | 34.2 | Very low | 35.4 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | | | cis | -144.5 | 176.7 | 3.7 | -153.5 | -83 | 0 | 0 | 0 | 111.7 | | |
| 451 | R | 34.8 | Very low | 35.3 | Very low | 210 Ų | 210 | 133.8 Ų | 133.8 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | -132.8 | 147.2 | 176.9 | -162.7 | -176.5 | -160.1 | 156.3 | 5.7 | 112.3 | | |
| 452 | P | 37.7 | Very low | 35.3 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -143.3 | -148.9 | 135 | 34.2 | -14.6 | 0 | 0 | 0 | 114.3 | | |
| 453 | L | 36.5 | Very low | 35 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | -145.4 | 155.9 | -147.4 | -70.9 | 169.8 | 0 | 0 | 0 | 117.4 | | |
| 454 | L | 36.5 | Very low | 36 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | 82.8 | 169.5 | 152.1 | -69.2 | 157.6 | 0 | 0 | 0 | 121.9 | | |
| 455 | S | 30.7 | Very low | 35.5 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -140 | -166 | -161.5 | -41.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 456 | P | 53.7 | Low | 36.4 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | cis | -149.8 | -163.8 | 15.3 | 45.7 | -22.9 | 0 | 0 | 0 | 120 | | |
| 457 | H | 31.8 | Very low | 36.4 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | 88.6 | 158.3 | 160.6 | -124.8 | 28.6 | 0 | 0 | 0 | 119 | | |
| 458 | V | 34.3 | Very low | 36.7 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | | | cis | -133.8 | -131.8 | 6 | -152.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 459 | H | 31.8 | Very low | 36.2 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | | | cis | -163.5 | 149.4 | -6.8 | -109 | -51.9 | 0 | 0 | 0 | 112.2 | | |
| 460 | H | 30.9 | Very low | 37.4 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | 42.1 | 165.2 | 146 | -63 | -38.4 | 0 | 0 | 0 | 126.3 | | |
| 461 | S | 31.9 | Very low | 38.3 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | cis | -173.4 | 146.8 | -28.4 | -86 | 0 | 0 | 0 | 0 | 116.8 | | |
| 462 | S | 35.7 | Very low | 38.4 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | 67.7 | 111.5 | 136.8 | 67.3 | 0 | 0 | 0 | 0 | 130 | | |
| 463 | N | 29.2 | Very low | 38.6 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | 60.3 | 167.5 | 130.4 | -116.8 | 17.2 | 0 | 0 | 0 | 123.8 | | |
| 464 | P | 51.9 | Low | 38.3 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | cis | -134.4 | -156.1 | -0.1 | 44.2 | -23.7 | 0 | 0 | 0 | 117.9 | | |
| 465 | N | 31.5 | Very low | 38.4 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | trans | -116.1 | -164.4 | -165 | -144 | -0.7 | 0 | 0 | 0 | 112 | | |
| 466 | P | 47.1 | Very low | 38.5 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -141.9 | 175.3 | -18.8 | 43.2 | -24.3 | 0 | 0 | 0 | 118.8 | | |
| 467 | G | 32.8 | Very low | 37.7 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | | | trans | 100.9 | 156.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 468 | M | 36.6 | Very low | 38.2 | Very low | 172 Ų | 172 | 122 Ų | 122 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | | | cis | -166.7 | 146.5 | 3 | -109.6 | -76.8 | 90 | 0 | 0 | 114.7 | | |
| 469 | I | 42 | Very low | 37.9 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | trans | 73.5 | 171.6 | 160.7 | -0.3 | -175.8 | 0 | 0 | 0 | 121.2 | | |
| 470 | P | 54.4 | Low | 38.1 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | | -112 | -153.7 | -109.3 | 43.4 | -23.7 | 0 | 0 | 0 | 113.7 | | |
| 471 | P | 53.3 | Low | 39.2 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | cis | -139.6 | -149.6 | 1 | 44.8 | -22.7 | 0 | 0 | 0 | 116.3 | | |
| 472 | H | 36.4 | Very low | 39.6 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | | | trans | -138.5 | 166.3 | 178.4 | -48.3 | -64.1 | 0 | 0 | 0 | 111.1 | | |
| 473 | P | 40.7 | Very low | 39.4 | Very low | 132 Ų | 132 | 125 Ų | 125 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | | -152.4 | 160.6 | 83 | 39.9 | -21.6 | 0 | 0 | 0 | 118 | | |
| 474 | G | 30.2 | Very low | 40.2 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | | | trans | 102.4 | 138.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 475 | L | 39.9 | Very low | 39.6 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | -143.3 | 145 | 162.6 | -76.9 | -180 | 0 | 0 | 0 | 109.2 | | |
| 476 | P | 32.3 | Very low | 39.7 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | | | | -139.5 | -177.5 | 119.3 | 37.1 | -23.2 | 0 | 0 | 0 | 113 | | |
| 477 | I | 36.1 | Very low | 39.6 | Very low | 78 Ų | 78 | 122.3 Ų | 122.3 | 40% | 0.4 | 74% | 0.741 | S | S | . | * | | | trans | -137 | -165 | -160.4 | -37 | -176.5 | 0 | 0 | 0 | 111.4 | A815 | I477-A815 WeakPolarHBondContact CD1-O 3.42Š|
| 478 | P | 44 | Very low | 39.9 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 46% | 0.461 | 75% | 0.75 | S | S | . | * | | | | -90.7 | 178 | -112.4 | 40 | -28.5 | 0 | 0 | 0 | 116.7 | P816 L817 | P478-P816 VanDerWaalsContact CD-O 3.25Å; P478-P816 WeakPolarHBondContact CD-O 3.16Å; P478-L817 HydrophobicContact CG-CB 4.49Å; P478-L817 WeakPolarHBondContact O-CB 3.44Å; P478-L817 WeakPolarHBondContact O-CD1 3.24Å; P478-L817 VanDerWaalsContact O-CG 3.25Å; P478-L817 WeakPolarHBondContact O-CG 3.47Å |
| 479 | G | 27.9 | Very low | 40 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | trans | 169.6 | 136.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 480 | L | 35.1 | Very low | 40.3 | Very low | 173 Ų | 173 | 124.7 Ų | 124.7 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | | | trans | -73.7 | 167.3 | 173.9 | -68 | 170.3 | 0 | 0 | 0 | 111.9 | | |
| 481 | P | 54.4 | Low | 39.1 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | cis | -124.5 | -149.3 | 17.5 | 41.6 | -21.7 | 0 | 0 | 0 | 111.5 | | |
| 482 | P | 39 | Very low | 38.2 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | cis | -134.9 | -145.8 | -4.7 | 44 | -23 | 0 | 0 | 0 | 114.7 | | |
| 483 | F | 32.7 | Very low | 38.5 | Very low | 199 Ų | 199 | 123.1 Ų | 123.1 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | | | trans | -123 | -166.9 | 173 | -59.3 | -88.8 | 0 | 0 | 0 | 110.5 | | |
| 484 | P | 46.5 | Very low | 38.9 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | | -123.3 | 176 | -88.1 | 40.7 | -25.3 | 0 | 0 | 0 | 113.5 | | |
| 485 | P | 38.2 | Very low | 39.3 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -82.3 | 150.6 | 157.2 | 33.9 | -31.9 | 0 | 0 | 0 | 111.5 | | |
| 486 | V | 34.8 | Very low | 39.4 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | | | trans | -122.6 | 164.4 | -177.7 | -72 | 0 | 0 | 0 | 0 | 112.7 | | |
| 487 | N | 44.6 | Very low | 40 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | trans | -7.3 | 145.3 | 168 | -62.5 | -1.8 | 0 | 0 | 0 | 119.8 | M489 | N487-M489 HydrophobicContact CB-SD 4.44Š|
| 488 | M | 37.8 | Very low | 40.4 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | trans | -127.5 | 150.3 | 147.3 | -72.3 | -65.4 | 152.4 | 0 | 0 | 110.6 | | |
| 489 | M | 38.9 | Very low | 40 | Very low | 151 Ų | 151 | 131 Ų | 131 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | -106.9 | -137.9 | -174.8 | -52.1 | 77.1 | 67.1 | 0 | 0 | 109.5 | N487 | N487-M489 HydrophobicContact CB-SD 4.44Š|
| 490 | P | 48.8 | Very low | 40.5 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | | -128.7 | 171 | -50.4 | 30.9 | -12.3 | 0 | 0 | 0 | 115.4 | | |
| 491 | N | 29.8 | Very low | 40.4 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | 52 | 116.7 | 142.3 | -62.2 | 3.5 | 0 | 0 | 0 | 125.5 | | |
| 492 | G | 34.4 | Very low | 39.2 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | | 87.9 | 174.4 | 127.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 493 | P | 43.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | cis | -122.5 | -161.9 | -8.7 | 40.8 | -24.5 | 0 | 0 | 0 | 114.4 | | |
| 494 | I | 47.1 | Very low | 39.3 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -107.8 | 163.7 | -165.1 | -18.4 | 177.5 | 0 | 0 | 0 | 113.8 | L496 | I494-L496 HydrophobicContact CG2-CG 4.22Š|
| 495 | P | 40.4 | Very low | 38.8 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | | | | -140.6 | 178.3 | 106.9 | 34.3 | -17.7 | 0 | 0 | 0 | 116.8 | | |
| 496 | L | 40.5 | Very low | 38.9 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -135.5 | -170.8 | -164.8 | -72.6 | 161.8 | 0 | 0 | 0 | 110.8 | I494 | I494-L496 HydrophobicContact CG2-CG 4.22Š|
| 497 | P | 45.2 | Very low | 39.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | cis | -124.1 | -145.8 | -21.3 | 40.4 | -21 | 0 | 0 | 0 | 110.2 | | |
| 498 | P | 45.7 | Very low | 39.2 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | | | cis | -134.9 | 159.7 | -18.1 | 39.5 | -21.9 | 0 | 0 | 0 | 118.1 | | |
| 499 | M | 35.3 | Very low | 39.3 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | | | trans | 52.2 | 158 | 149.2 | -60.9 | -67.1 | 96.2 | 0 | 0 | 120.9 | | |
| 500 | M | 37.9 | Very low | 40 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | cis | -152.5 | 123.1 | 5.3 | -149.4 | 118.5 | 66.5 | 0 | 0 | 107.3 | | |
| 501 | N | 32.9 | Very low | 40.2 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | | | | 82.5 | 148 | 77.6 | -151.4 | 4 | 0 | 0 | 0 | 117.2 | | |
| 502 | F | 30 | Very low | 41 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 81.3 | 137.2 | 173.4 | -58.8 | -78.4 | 0 | 0 | 0 | 121.9 | | |
| 503 | G | 30.5 | Very low | 41.6 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | 116.3 | 114.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 504 | M | 43 | Very low | 41.7 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | | | trans | -94.8 | 142.7 | 166.4 | -73.2 | -77.3 | -67.4 | 0 | 0 | 111.4 | | |
| 505 | P | 36 | Very low | 41.9 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -129 | 163.5 | 146.3 | 37.1 | -26.4 | 0 | 0 | 0 | 113.7 | | |
| 506 | S | 40.7 | Very low | 42.3 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -86.4 | 145.9 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 507 | L | 39.9 | Very low | 42.6 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -142.3 | 148.7 | 162.5 | -72.6 | 179.4 | 0 | 0 | 0 | 110.7 | | |
| 508 | A | 45 | Very low | 43 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | trans | -96.5 | 162.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L510 | A508-L510 PolarHBondContact O-N 3.14Š|
| 509 | P | 40.1 | Very low | 43.5 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -75.2 | 118 | 170.8 | -9.7 | 26.9 | 0 | 0 | 0 | 111.9 | V511 | P509-V511 PolarHBondContact O-N 3.33Š|
| 510 | L | 52.7 | Low | 44.2 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | -81.4 | 98.5 | 173.2 | -74.2 | 156.9 | 0 | 0 | 0 | 110.5 | A508 | A508-L510 PolarHBondContact O-N 3.14Š|
| 511 | V | 54.3 | Low | 45 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -124.5 | 127.7 | 172 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | P509 | P509-V511 PolarHBondContact O-N 3.33Š|
| 512 | P | 45.3 | Very low | 46.4 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 145.7 | -179.9 | 28.3 | -34.7 | 0 | 0 | 0 | 111.5 | | |
| 513 | P | 48.2 | Very low | 47.7 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.7 | -175.8 | 28.1 | -35.2 | 0 | 0 | 0 | 112.3 | T515 | P513-T515 PolarHBondContact O-N 3.47Š|
| 514 | P | 44.5 | Very low | 49.1 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 117.2 | 179.3 | 29.1 | -33.9 | 0 | 0 | 0 | 111.2 | L516 | P514-L516 PolarHBondContact O-N 2.92Š|
| 515 | T | 51.6 | Low | 49.7 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -69.3 | 111.3 | 170 | 50.7 | 0 | 0 | 0 | 0 | 110 | P513 L517 | P513-T515 PolarHBondContact O-N 3.47Å; T515-L517 PolarHBondContact O-N 3.41Å |
| 516 | L | 49.4 | Very low | 50.5 | Low | 158 Ų | 158 | 132.3 Ų | 132.3 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -68.2 | 94.4 | 175.2 | -67.5 | 176.1 | 0 | 0 | 0 | 110.6 | P514 V518 | P514-L516 PolarHBondContact O-N 2.92Å; L516-V518 PolarHBondContact O-N 3.13Å |
| 517 | L | 46.7 | Very low | 51.2 | Low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | -73.7 | 91.9 | 167.5 | -134.6 | 82.1 | 0 | 0 | 0 | 108.5 | T515 P519 | T515-L517 PolarHBondContact O-N 3.41Å; L517-P519 VanDerWaalsContact O-CD 3.28Å; L517-P519 WeakPolarHBondContact O-CD 3.47Å |
| 518 | V | 52.7 | Low | 52 | Low | 116 Ų | 116 | 130.1 Ų | 130.1 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | | | trans | -58.7 | 120.1 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | L516 Y520 | L516-V518 PolarHBondContact O-N 3.13Å; V518-Y520 PolarHBondContact O-N 2.85Å |
| 519 | P | 57.8 | Low | 52.4 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | -67.6 | 108.6 | 176.7 | -18.8 | 32.8 | 0 | 0 | 0 | 109.6 | L517 | L517-P519 VanDerWaalsContact O-CD 3.28Å; L517-P519 WeakPolarHBondContact O-CD 3.47Å |
| 520 | Y | 50 | Low | 53.2 | Low | 211 Ų | 211 | 132.9 Ų | 132.9 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -61.6 | 130.7 | 173.7 | -133.8 | -92.1 | 0 | 0 | 0 | 108.9 | V518 V522 | V518-Y520 PolarHBondContact O-N 2.85Å; Y520-V522 PolarHBondContact O-N 2.99Å |
| 521 | P | 54.6 | Low | 53 | Low | 103 Ų | 103 | 129.9 Ų | 129.9 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | -68.3 | 105.2 | -175.3 | 26 | -33.8 | 0 | 0 | 0 | 110.4 | I523 | P521-I523 PolarHBondContact O-N 3.41Š|
| 522 | V | 61.2 | Low | 52.9 | Low | 128 Ų | 128 | 131.2 Ų | 131.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -69.4 | 102.5 | 171.5 | 179.3 | 0 | 0 | 0 | 0 | 108 | Y520 V524 | Y520-V522 PolarHBondContact O-N 2.99Å; V522-V524 PolarHBondContact O-N 3.38Å |
| 523 | I | 58.5 | Low | 52.9 | Low | 156 Ų | 156 | 131.3 Ų | 131.3 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | -67.3 | 96.3 | 173.7 | -60.4 | 167.5 | 0 | 0 | 0 | 107.9 | P521 P525 | P521-I523 PolarHBondContact O-N 3.41Å; I523-P525 WeakPolarHBondContact O-CD 3.41Å |
| 524 | V | 59.2 | Low | 53 | Low | 108 Ų | 108 | 133 Ų | 133 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | | | trans | -70.6 | 119.2 | 168.1 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | V522 L526 | V522-V524 PolarHBondContact O-N 3.38Å; V524-L526 PolarHBondContact O-N 3.01Å |
| 525 | P | 55.4 | Low | 53 | Low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -69.4 | 100.3 | 177.6 | 27.8 | -33.1 | 0 | 0 | 0 | 109.4 | I523 | I523-P525 WeakPolarHBondContact O-CD 3.41Š|
| 526 | L | 53.3 | Low | 52.9 | Low | 148 Ų | 148 | 133.4 Ų | 133.4 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | -59.3 | 126.6 | 171.2 | -75.7 | 166.4 | 0 | 0 | 0 | 109.1 | V524 V528 | V524-L526 PolarHBondContact O-N 3.01Å; L526-V528 PolarHBondContact O-N 3.29Å |
| 527 | P | 54.4 | Low | 52.8 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | -68.7 | 101.9 | 174.9 | 27.8 | -32.8 | 0 | 0 | 0 | 108.9 | | |
| 528 | V | 56.5 | Low | 52.6 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -59 | 124.8 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | L526 I530 | L526-V528 PolarHBondContact O-N 3.29Å; V528-I530 PolarHBondContact O-N 2.85Å |
| 529 | P | 53.9 | Low | 52 | Low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | | | trans | -65 | 113.5 | 179.2 | 25.6 | -33 | 0 | 0 | 0 | 109.5 | | |
| 530 | I | 56.8 | Low | 50.8 | Low | 149 Ų | 149 | 134 Ų | 134 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | -62.7 | 125.6 | 172.5 | -59.6 | 175 | 0 | 0 | 0 | 107.3 | V528 I532 | V528-I530 PolarHBondContact O-N 2.85Å; I530-I532 PolarHBondContact O-N 3.06Å |
| 531 | P | 48.1 | Very low | 50.1 | Low | 114 Ų | 114 | 132.7 Ų | 132.7 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | | | trans | -65.4 | 111.5 | 179.3 | 26 | -33.3 | 0 | 0 | 0 | 109.7 | | |
| 532 | I | 53.4 | Low | 49.4 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -67 | 125.7 | 171.8 | -59.8 | 175.9 | 0 | 0 | 0 | 107.2 | I530 I534 | I530-I532 PolarHBondContact O-N 3.06Å; I532-I534 PolarHBondContact O-N 3.21Å |
| 533 | P | 44.1 | Very low | 48.1 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 122.8 | 179.6 | 25.3 | -33.3 | 0 | 0 | 0 | 110 | P535 | P533-P535 WeakPolarHBondContact O-CD 3.48Š|
| 534 | I | 51.3 | Low | 47 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.4 | 173.5 | -60.5 | 172.2 | 0 | 0 | 0 | 107.7 | I532 I536 | I532-I534 PolarHBondContact O-N 3.21Å; I534-I536 PolarHBondContact O-N 2.81Å |
| 535 | P | 45.3 | Very low | 45.7 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | -65.1 | 105.3 | 168.7 | -17.3 | 31.5 | 0 | 0 | 0 | 108.4 | P533 P537 | P533-P535 WeakPolarHBondContact O-CD 3.48Å; P535-P537 WeakPolarHBondContact O-CD 3.44Å |
| 536 | I | 48.8 | Very low | 44.7 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | trans | -62.2 | 122.7 | 171.2 | -57.9 | 174.5 | 0 | 0 | 0 | 106.5 | I534 F538 | I534-I536 PolarHBondContact O-N 2.81Å; I536-F538 PolarHBondContact O-N 3.17Å |
| 537 | P | 46.8 | Very low | 44.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | trans | -65.6 | 110.9 | 174.8 | 26.6 | -32.3 | 0 | 0 | 0 | 108.2 | P535 N539 | P535-P537 WeakPolarHBondContact O-CD 3.44Å; P537-N539 PolarHBondContact O-N 3.29Å |
| 538 | F | 42 | Very low | 42.8 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | | | trans | -60 | 111.4 | 168.6 | -75.9 | -81.4 | 0 | 0 | 0 | 108 | I536 S540 | I536-F538 PolarHBondContact O-N 3.17Å; F538-S540 VanDerWaalsContact C-N 3.3Å; F538-S540 PolarHBondContact O-N 3.37Å |
| 539 | N | 40.4 | Very low | 41.6 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -65.4 | 95.5 | 168.9 | -178.3 | -0.9 | 0 | 0 | 0 | 107.9 | P537 K541 | P537-N539 PolarHBondContact O-N 3.29Å; N539-K541 VanDerWaalsContact C-N 3.27Å; N539-K541 PolarHBondContact O-N 2.84Å |
| 540 | S | 33.3 | Very low | 40.6 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -63.9 | 93.5 | 168.2 | 54.1 | 0 | 0 | 0 | 0 | 107.7 | F538 | F538-S540 VanDerWaalsContact C-N 3.3Å; F538-S540 PolarHBondContact O-N 3.37Å |
| 541 | K | 35 | Very low | 39.3 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | | | trans | -45.7 | 140.1 | -179.8 | -63.3 | 177.7 | -178.8 | 178.7 | 0 | 110.3 | N539 S543 | N539-K541 VanDerWaalsContact C-N 3.27Å; N539-K541 PolarHBondContact O-N 2.84Å; K541-S543 PolarHBondContact O-N 3.15Å; K541-S543 VanDerWaalsContact O-N 3.08Å |
| 542 | S | 39.8 | Very low | 38.5 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | | | trans | -58.4 | 109.9 | 173.7 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 543 | S | 35 | Very low | 37.5 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | trans | -114.7 | 89.1 | 154.2 | 57.3 | 0 | 0 | 0 | 0 | 107.8 | K541 | K541-S543 PolarHBondContact O-N 3.15Å; K541-S543 VanDerWaalsContact O-N 3.08Å |
| 544 | R | 35 | Very low | 36.8 | Very low | 244 Ų | 244 | 136.8 Ų | 136.8 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | | | trans | -87.1 | 98.9 | 168.8 | 168.5 | -170 | 159.4 | 176.3 | -5.9 | 106.2 | | |
| 545 | D | 31.5 | Very low | 35.6 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -122.5 | 115.2 | 177.9 | -84.2 | -70.7 | 0 | 0 | 0 | 111.2 | | |
| 546 | Q | 35 | Very low | 34.7 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -170.8 | 145.4 | 171.9 | -139.6 | -133.7 | 0.4 | 0 | 0 | 108.3 | | |
| 547 | P | 40.3 | Very low | 34.4 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | | -131.6 | 145.1 | -56.7 | 35.2 | -22.1 | 0 | 0 | 0 | 112.3 | | |
| 548 | E | 27.4 | Very low | 33.3 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | | | trans | -112.1 | 148.5 | 175.5 | -61.6 | -74.7 | 138.3 | 0 | 0 | 110.9 | | |
| 549 | S | 30.1 | Very low | 32.7 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | trans | -113.2 | 171.8 | -171 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 550 | S | 33.2 | Very low | 32.2 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 46% | 0.462 | 74% | 0.738 | S | S | . | * | | | cis | -168.5 | 174.3 | 9.2 | 30.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 551 | S | 29.4 | Very low | 32 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | trans | 62.4 | 145.1 | 151.5 | 48.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 552 | S | 32.3 | Very low | 31.8 | Very low | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | cis | -165.1 | -165.8 | -11.2 | -166.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 553 | V | 31.6 | Very low | 31.4 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | cis | -155.7 | -179.6 | 12.9 | -146.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 554 | H | 29.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | trans | 77.7 | 108.4 | 152.3 | -75.5 | -58 | 0 | 0 | 0 | 122.3 | | |
| 555 | S | 26.5 | Very low | 30.9 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | | | trans | 86.7 | 106 | 132 | -54.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 556 | A | 25.1 | Very low | 30.8 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | | | trans | -85.2 | -175.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 557 | P | 43.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | cis | -113.7 | -161.3 | -1.2 | 45.2 | -30 | 0 | 0 | 0 | 110.9 | | |
| 558 | D | 24.4 | Very low | 30 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | cis | -158.9 | -179 | 40.4 | -144.2 | -55.8 | 0 | 0 | 0 | 113.3 | | |
| 559 | S | 27.3 | Very low | 30.1 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | trans | -53.2 | 167 | 163.9 | 63.4 | 0 | 0 | 0 | 0 | 113 | | |
| 560 | S | 31.4 | Very low | 31.1 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | cis | -173.5 | 167.5 | 45.1 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 561 | E | 29.5 | Very low | 30.8 | Very low | 176 Ų | 176 | 120.1 Ų | 120.1 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | trans | 48.4 | 123.9 | 142.8 | -64.4 | -76.9 | 77.8 | 0 | 0 | 122.5 | | |
| 562 | A | 29.9 | Very low | 30.8 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | | | trans | 62.5 | 119.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 563 | S | 30.4 | Very low | 30.8 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | 74.8 | 117.9 | 133.7 | -62.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 564 | S | 29.9 | Very low | 30.7 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | | | trans | 60.8 | 132.7 | 144.6 | 70.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 565 | S | 31.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 117 Ų | 117 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | cis | -167 | 157.3 | 29.3 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 566 | R | 29.5 | Very low | 31.1 | Very low | 229 Ų | 229 | 117.6 Ų | 117.6 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | trans | 36.7 | 89.5 | 143.8 | -162 | 173.7 | -177.3 | 169.4 | 1.6 | 120.8 | | |
| 567 | A | 27.8 | Very low | 31.7 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | | | | 82 | 160.1 | 119.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 568 | H | 29.3 | Very low | 31.1 | Very low | 179 Ų | 179 | 119.9 Ų | 119.9 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | | | trans | 84.9 | 126.1 | 170.2 | -58.2 | -74 | 0 | 0 | 0 | 118.7 | | |
| 569 | S | 30.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 119.8 Ų | 119.8 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | -80.4 | -169.8 | 175.1 | -28.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 570 | P | 51 | Low | 31.6 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | cis | -139.3 | -162.3 | 1.3 | 35.8 | -12.6 | 0 | 0 | 0 | 115 | | |
| 571 | S | 26.5 | Very low | 31.6 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | 71.8 | 155.8 | 158.8 | 19.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 572 | S | 29.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | cis | -165.3 | 156.3 | -14 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 573 | S | 32.1 | Very low | 31.7 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | trans | 43.7 | 137.1 | 138.8 | 66.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 574 | G | 30.6 | Very low | 32.5 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | | | trans | 137.6 | 128.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 575 | S | 32 | Very low | 32.6 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | | 65.5 | 129.9 | 50.4 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 576 | D | 32.4 | Very low | 32.4 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | | | cis | -156.1 | 173.9 | 20.6 | -174.9 | -135.9 | 0 | 0 | 0 | 111.7 | | |
| 577 | K | 37 | Very low | 32.3 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | trans | -1.6 | 156.4 | 168.9 | -64.1 | 171 | -155.6 | 69.6 | 0 | 122.7 | | |
| 578 | G | 31.7 | Very low | 32.3 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | 166.9 | 83.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 579 | D | 32.2 | Very low | 32.3 | Very low | 133 Ų | 133 | 118 Ų | 118 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | -55.4 | 158.1 | -177 | -67.8 | -95.9 | 0 | 0 | 0 | 121.1 | | |
| 580 | H | 29.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 118.6 Ų | 118.6 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | | | trans | 84.8 | 111.2 | 141.5 | -70.6 | -14.8 | 0 | 0 | 0 | 123.9 | | |
| 581 | K | 30.3 | Very low | 30.9 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | | | | 98.6 | 102.3 | 111.2 | -168.2 | -177.1 | 177.8 | -176.7 | 0 | 121.5 | | |
| 582 | T | 29.2 | Very low | 31.9 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | | | trans | 62.2 | 109.1 | 132.2 | -46.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 583 | E | 32.5 | Very low | 31.9 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | | | trans | -81 | 156.3 | 153.2 | -129.6 | -78.5 | 102.3 | 0 | 0 | 110.7 | A585 | E583-A585 PolarHBondContact OE1-N 2.71Å; E583-A585 PolarHBondContact OE2-N 2.77Å |
| 584 | P | 48.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | | -156 | 136 | 104.4 | 37.1 | -16.7 | 0 | 0 | 0 | 119.6 | | |
| 585 | A | 30.9 | Very low | 32.1 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | | 80.3 | 144 | 129.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | E583 | E583-A585 PolarHBondContact OE1-N 2.71Å; E583-A585 PolarHBondContact OE2-N 2.77Å |
| 586 | G | 27.1 | Very low | 32 | Very low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | | | trans | 155.6 | 85.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 587 | G | 28.2 | Very low | 31.9 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | trans | 68.2 | -178.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 588 | E | 28.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | cis | -168.6 | 156.5 | -18 | -132.4 | -173.7 | 92.9 | 0 | 0 | 111.9 | | |
| 589 | Q | 28.8 | Very low | 31.6 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | | | trans | 68.1 | 152 | 157.3 | -54 | -77.6 | -0.9 | 0 | 0 | 117.5 | | |
| 590 | V | 25.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | cis | -153 | 174.6 | -15.7 | 91 | 0 | 0 | 0 | 0 | 112 | | |
| 591 | S | 26.3 | Very low | 31.4 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | trans | -88.7 | -147 | 178.3 | -154.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 592 | P | 46.9 | Very low | 31.3 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | cis | -147.1 | -158.8 | 30.4 | 33.1 | -4.4 | 0 | 0 | 0 | 116.7 | | |
| 593 | V | 29.9 | Very low | 31.2 | Very low | 127 Ų | 127 | 129 Ų | 129 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | 98.4 | 125.5 | 155 | -176.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 594 | P | 41.3 | Very low | 30.8 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | cis | -139.8 | 176.8 | -31 | 39.1 | -20 | 0 | 0 | 0 | 114.9 | | |
| 595 | G | 26.6 | Very low | 29.8 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 169.3 | 81.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 596 | E | 29.1 | Very low | 29.8 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | trans | -91.3 | 178.9 | 173.5 | -51.4 | -171 | 104 | 0 | 0 | 111.7 | | |
| 597 | R | 30.8 | Very low | 29.7 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | cis | -166.6 | -176 | 16.3 | -150.9 | 164.5 | 172.4 | 119.9 | -7.8 | 110.1 | | |
| 598 | S | 29.8 | Very low | 29.4 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | | -159.1 | 142.2 | -94.4 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 599 | R | 32.8 | Very low | 29.3 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | | | trans | 66.9 | 117.5 | 165.2 | -64.5 | 179.8 | 173.7 | -164.4 | -2.4 | 122.9 | | |
| 600 | T | 29.3 | Very low | 29.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | | | trans | -159.2 | 140 | 138 | 27.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 601 | A | 27.6 | Very low | 29.4 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | | | | 68.9 | 136 | 59.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 602 | F | 27.2 | Very low | 29.7 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | | | cis | -167.4 | 159.1 | -7.3 | -137.3 | -96 | 0 | 0 | 0 | 108.4 | | |
| 603 | M | 27.6 | Very low | 29 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | trans | 64 | 161.6 | 171.4 | -81.7 | 149.7 | 68.6 | 0 | 0 | 115.9 | | |
| 604 | D | 24.9 | Very low | 28.9 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | | | cis | -133.2 | -176.4 | 32.2 | -161.3 | 14.3 | 0 | 0 | 0 | 115.5 | | |
| 605 | L | 27.4 | Very low | 28.3 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | -98.8 | 150 | -156.1 | -67.9 | 155.2 | 0 | 0 | 0 | 116.1 | | |
| 606 | T | 30.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | | | trans | -77.4 | 124.9 | 143.3 | 40.8 | 0 | 0 | 0 | 0 | 110 | | |
| 607 | V | 25.2 | Very low | 28.6 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | 174.2 | 131.7 | 143.4 | 138.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 608 | K | 22 | Very low | 28.7 | Very low | 156 Ų | 156 | 135 Ų | 135 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | 62.4 | 133.9 | 155.9 | -80.6 | -168 | 83.3 | -145.2 | 0 | 118.4 | E610 | K608-E610 WeakPolarHBondContact CE-OE2 3.38Å; K608-E610 IonicContact NZ-OE2 3.45Å; K608-E610 PolarHBondContact NZ-OE2 2.87Å |
| 609 | S | 25.5 | Very low | 28.7 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | | | | 78.3 | 169.9 | 85.9 | 93.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 610 | E | 26.6 | Very low | 28.5 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 60% | 0.603 | 75% | 0.748 | S | S | * | * | | | cis | -131.3 | 147.1 | -2.4 | -130.1 | 132.4 | 111.9 | 0 | 0 | 104.7 | K608 | K608-E610 WeakPolarHBondContact CE-OE2 3.38Å; K608-E610 IonicContact NZ-OE2 3.45Å; K608-E610 PolarHBondContact NZ-OE2 2.87Å |
| 611 | D | 29.9 | Very low | 28.7 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | | | | 176 | 147.7 | 77.8 | -106.6 | -49.9 | 0 | 0 | 0 | 108.4 | | |
| 612 | N | 32.3 | Very low | 29 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | | 45.4 | 140.5 | 101.2 | -72.3 | -59.1 | 0 | 0 | 0 | 116.8 | | |
| 613 | L | 32.7 | Very low | 29.2 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | cis | -146.3 | 152.6 | -2 | -105.1 | 138.7 | 0 | 0 | 0 | 105.3 | | |
| 614 | G | 28.4 | Very low | 29.5 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | cis | 96.8 | 50.7 | 32.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 615 | S | 28.8 | Very low | 30 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -145.8 | 144.6 | 172.3 | -163.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 616 | L | 32.9 | Very low | 30 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -90.6 | 170.1 | -156.1 | -63.3 | 157.7 | 0 | 0 | 0 | 116 | | |
| 617 | C | 28.2 | Very low | 30 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | | | trans | 90.2 | 115.7 | 142.2 | -76.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 618 | L | 32.1 | Very low | 30.3 | Very low | 158 Ų | 158 | 120.3 Ų | 120.3 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | 71.6 | 148.5 | 135.2 | -56.6 | 173 | 0 | 0 | 0 | 118.8 | | |
| 619 | S | 29.7 | Very low | 30.8 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | cis | -157.8 | 172.6 | 3.4 | -139.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 620 | S | 30.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | 70 | 139.5 | 168.7 | -53.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 621 | G | 32 | Very low | 31.5 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | cis | 100.9 | 130.2 | 7.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 622 | S | 34.3 | Very low | 31.7 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | cis | -145.4 | 166.3 | 10.4 | -167.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 623 | G | 32.8 | Very low | 31.6 | Very low | 61 Ų | 61 | 124.1 Ų | 124.1 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | cis | 106.7 | 128.7 | 6.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 624 | L | 32.3 | Very low | 31.6 | Very low | 171 Ų | 171 | 119.8 Ų | 119.8 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | | | trans | -166.5 | -153.8 | 157.5 | -144.6 | 71.4 | 0 | 0 | 0 | 110.8 | | |
| 625 | I | 36.5 | Very low | 31.7 | Very low | 142 Ų | 142 | 126 Ų | 126 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -121.9 | 174.5 | -173 | 65.9 | 173.7 | 0 | 0 | 0 | 110.4 | | |
| 626 | D | 26.3 | Very low | 32 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | cis | -151.2 | -164.3 | 6.1 | -141.2 | -8.5 | 0 | 0 | 0 | 108.6 | | |
| 627 | G | 31.6 | Very low | 32.2 | Very low | 57 Ų | 57 | 128 Ų | 128 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | cis | 167.4 | 145.6 | 3.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 628 | V | 30.8 | Very low | 32.2 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | trans | -84.3 | 159.9 | 178.1 | -178.6 | 0 | 0 | 0 | 0 | 108 | | |
| 629 | I | 32.5 | Very low | 32.1 | Very low | 155 Ų | 155 | 127 Ų | 127 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | | | | -170.3 | 158.3 | 64.9 | -19 | 83.1 | 0 | 0 | 0 | 114 | | |
| 630 | D | 25.6 | Very low | 32 | Very low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | 78.8 | 158.8 | 138.2 | -145.3 | 15.1 | 0 | 0 | 0 | 123.9 | | |
| 631 | L | 42 | Very low | 31.9 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -127.3 | 106.4 | 177.3 | -79.2 | 75.3 | 0 | 0 | 0 | 111.7 | | |
| 632 | T | 32.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | | | trans | -149.4 | 151.2 | 161.3 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 633 | V | 32 | Very low | 31.7 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | 63.4 | 151.8 | 168.8 | -163.1 | 0 | 0 | 0 | 0 | 115 | | |
| 634 | G | 31 | Very low | 31.4 | Very low | 61 Ų | 61 | 141.5 Ų | 141.5 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | cis | 139.1 | 147 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 635 | Q | 30.7 | Very low | 31.3 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | trans | 75.9 | 162.7 | 178.9 | -50 | -160.3 | 6.7 | 0 | 0 | 118.5 | | |
| 636 | K | 34.8 | Very low | 30.8 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | | | trans | -110.3 | 153.3 | 176.2 | -72.2 | -176.7 | 170.5 | -176.3 | 0 | 108.8 | | |
| 637 | P | 38.6 | Very low | 30.9 | Very low | 136 Ų | 136 | 141 Ų | 141 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | | -120 | -168.9 | 81.4 | -5.1 | 27.9 | 0 | 0 | 0 | 112.6 | | |
| 638 | G | 27.8 | Very low | 30.7 | Very low | 72 Ų | 72 | 143.4 Ų | 143.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | cis | 178.9 | 178.3 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 639 | Q | 29.5 | Very low | 30.4 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -55.7 | 139.6 | -172.9 | -84.8 | 160.2 | -111.8 | 0 | 0 | 118.5 | | |
| 640 | Q | 27.6 | Very low | 30 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | | | | 74 | 141.1 | 126.5 | -70.4 | 171.4 | -46.2 | 0 | 0 | 123.9 | | |
| 641 | H | 28.8 | Very low | 30 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | | | trans | 94.2 | 121.7 | 137.3 | -87.7 | -144.6 | 0 | 0 | 0 | 122 | | |
| 642 | L | 31.3 | Very low | 29.5 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | 47.8 | 91.7 | 134.2 | -58.1 | 176.6 | 0 | 0 | 0 | 118.5 | | |
| 643 | I | 31.2 | Very low | 29.1 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -126.3 | 126.9 | 137.2 | -64.1 | -175.5 | 0 | 0 | 0 | 108.4 | | |
| 644 | Q | 26.7 | Very low | 28.9 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -101.3 | 173.4 | 171.5 | -173 | 174.1 | -7.3 | 0 | 0 | 108.5 | | |
| 645 | T | 29.9 | Very low | 28.6 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | 65.4 | 150.1 | 173.8 | 48 | 0 | 0 | 0 | 0 | 116.3 | | |
| 646 | M | 24.9 | Very low | 28.3 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | | | cis | -162.3 | 176.5 | -27.7 | -116.7 | -64.9 | -167.2 | 0 | 0 | 107.7 | | |
| 647 | L | 29.9 | Very low | 28 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -75.5 | 139.2 | 175.7 | -72 | 100.8 | 0 | 0 | 0 | 114 | | |
| 648 | A | 25.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | | | trans | -156.3 | 150.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 649 | G | 26.3 | Very low | 27.6 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | cis | 151 | 99.6 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 650 | V | 23.1 | Very low | 28.7 | Very low | 138 Ų | 138 | 143 Ų | 143 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -148.9 | 133.7 | -177.1 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 651 | Q | 26.7 | Very low | 29.7 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | cis | -155.5 | 134.3 | -23.5 | -121.3 | -166.7 | 87 | 0 | 0 | 107.2 | | |
| 652 | V | 30.5 | Very low | 29.8 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | | | trans | -139.1 | 142.6 | 155.8 | -175 | 0 | 0 | 0 | 0 | 106.4 | | |
| 653 | K | 24.4 | Very low | 29.8 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | -114.4 | 158.2 | -163.6 | -170.4 | -168.8 | 172.5 | -172.7 | 0 | 111.5 | | |
| 654 | V | 27.9 | Very low | 29.7 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 62% | 0.624 | 77% | 0.767 | S | S | * | * | | | trans | 111.5 | 109.9 | 155.8 | 178.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 655 | E | 24.5 | Very low | 29.9 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | trans | 57.4 | 153.6 | 146 | -74.4 | 169.9 | 74.3 | 0 | 0 | 120.7 | | |
| 656 | E | 25.2 | Very low | 29.8 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | | | cis | -158 | 142.3 | -11.9 | 169.1 | 57.1 | -158 | 0 | 0 | 109.7 | | |
| 657 | S | 28.5 | Very low | 30.3 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | | | trans | 29.1 | 120.4 | 160.8 | -75.3 | 0 | 0 | 0 | 0 | 125 | | |
| 658 | R | 28.2 | Very low | 30.1 | Very low | 224 Ų | 224 | 137.4 Ų | 137.4 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | | 92.5 | 77 | 112.5 | -159.7 | 177.2 | -167.5 | 179.3 | 6 | 123.2 | | |
| 659 | S | 30.1 | Very low | 30.2 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | 74.4 | -177.8 | 119.3 | 85.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 660 | P | 51.4 | Low | 30.4 | Very low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | | -131.7 | -147.3 | -122.8 | 41.6 | -16.7 | 0 | 0 | 0 | 112.2 | | |
| 661 | P | 49.7 | Very low | 30.8 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | cis | -138.1 | -167 | -11.5 | 40.5 | -19.8 | 0 | 0 | 0 | 116.3 | | |
| 662 | A | 30.9 | Very low | 30.8 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | | | trans | 97.8 | 134.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 663 | D | 29.6 | Very low | 30.8 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | | | trans | 43.8 | 149.9 | 145.2 | -52.4 | -27.9 | 0 | 0 | 0 | 122.6 | | |
| 664 | G | 31 | Very low | 31.9 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | | | cis | 166.3 | 165.9 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 665 | F | 29.8 | Very low | 32.1 | Very low | 220 Ų | 220 | 135.6 Ų | 135.6 | 97% | 0.965 | 76% | 0.758 | S | S | * | * | | | trans | 63.6 | 146.2 | 170.3 | -64.4 | -87.6 | 0 | 0 | 0 | 120.8 | | |
| 666 | G | 27.2 | Very low | 32.2 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | 158.3 | 123.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 667 | R | 35.5 | Very low | 32.3 | Very low | 233 Ų | 233 | 135.2 Ų | 135.2 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | -81.4 | 173.1 | 166.8 | -63.3 | 167.4 | -179.9 | -113.8 | -1.7 | 108.8 | | |
| 668 | E | 26.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | cis | -161.1 | -167 | 31.6 | -164.2 | 142.7 | 92.2 | 0 | 0 | 112.1 | | |
| 669 | C | 27.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | -133.8 | 136.7 | -174.3 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 670 | S | 31.2 | Very low | 32.9 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -179.5 | 138.4 | 137 | -85.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 671 | Q | 30.2 | Very low | 31.9 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | 26.5 | 136.3 | 136 | -47 | 179.9 | 14.7 | 0 | 0 | 121.5 | | |
| 672 | I | 28.3 | Very low | 31.4 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | | 173.1 | 153.2 | 115.2 | -87.8 | 157.8 | 0 | 0 | 0 | 112.6 | | |
| 673 | S | 29.1 | Very low | 31.2 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -155.2 | 160.6 | 164.7 | -72.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 674 | P | 48.6 | Very low | 31.1 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | cis | -155.1 | -167.8 | 37.8 | 43.4 | -21 | 0 | 0 | 0 | 118 | | |
| 675 | N | 30.5 | Very low | 31 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | trans | 69 | 157 | 147.9 | -70.6 | -19.8 | 0 | 0 | 0 | 120.5 | | |
| 676 | F | 28.3 | Very low | 31 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | cis | -164.3 | 142.9 | -10.5 | -113.1 | -32.7 | 0 | 0 | 0 | 111.9 | | |
| 677 | K | 27.1 | Very low | 31 | Very low | 168 Ų | 168 | 140 Ų | 140 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | 66 | 172.8 | 143 | -70.5 | 172.6 | -176.7 | 175 | 0 | 119.7 | | |
| 678 | P | 46.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | | | cis | -141.8 | 160.4 | -45.1 | 39.5 | -23 | 0 | 0 | 0 | 117.7 | | |
| 679 | A | 27 | Very low | 30.7 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | | | trans | 73.1 | 155 | 138.3 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 680 | L | 25.6 | Very low | 30.6 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | | | trans | 99.4 | 154.6 | 161.7 | -68 | 170.2 | 0 | 0 | 0 | 121.1 | | |
| 681 | L | 29.3 | Very low | 30.4 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | | | trans | -94.8 | 171.2 | -163.8 | -83.6 | 166.4 | 0 | 0 | 0 | 111.5 | | |
| 682 | P | 40.8 | Very low | 30.2 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | | | cis | -159.5 | -163 | 46.8 | 47.7 | -24.1 | 0 | 0 | 0 | 119.8 | | |
| 683 | T | 25.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | trans | -25 | 164.1 | 159 | 50.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 684 | S | 27.6 | Very low | 30.8 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | cis | 174.7 | 169.9 | -12.8 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 685 | I | 28.5 | Very low | 29.7 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | trans | 67.9 | 143.4 | 163.3 | -74.5 | 153.1 | 0 | 0 | 0 | 113.8 | | |
| 686 | R | 30.5 | Very low | 29.5 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | cis | -136.6 | -171.5 | 11.5 | -146.8 | 156.2 | -178.2 | 173.9 | -0.1 | 106.8 | | |
| 687 | T | 26.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | | | cis | -154.5 | 166.7 | 21.2 | -46.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 688 | Q | 29.5 | Very low | 29.4 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -40.6 | 168.7 | 170.8 | -58.7 | 169.1 | 107.3 | 0 | 0 | 118.9 | | |
| 689 | S | 27.6 | Very low | 28.4 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | cis | 141.1 | 122.3 | -22.2 | 170.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 690 | L | 25.1 | Very low | 28.4 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -171.9 | 143.1 | 153.4 | -122.3 | 77.6 | 0 | 0 | 0 | 106.6 | | |
| 691 | A | 27.3 | Very low | 28.5 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | | | cis | -157.3 | 139.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 692 | L | 26.1 | Very low | 29.2 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | 65.2 | 159.2 | 141.6 | -91.4 | 68 | 0 | 0 | 0 | 121.3 | | |
| 693 | P | 39 | Very low | 28.5 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | | | | -145.1 | 153.9 | -63.8 | 36.8 | -16.3 | 0 | 0 | 0 | 118.4 | | |
| 694 | Q | 30.4 | Very low | 28.8 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 64.9 | 159 | 138.6 | -71.6 | -174.6 | -33.9 | 0 | 0 | 121.4 | | |
| 695 | L | 25.7 | Very low | 28.8 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | | | cis | -154 | 137 | -14.3 | -96.2 | 153.5 | 0 | 0 | 0 | 104.7 | | |
| 696 | Q | 26.2 | Very low | 28.8 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | | 80.7 | 111.9 | 50.9 | -173 | -174.9 | -9.2 | 0 | 0 | 116.4 | | |
| 697 | A | 25.5 | Very low | 28.7 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -175.4 | 164.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 698 | N | 26.6 | Very low | 28.7 | Very low | 167 Ų | 167 | 129 Ų | 129 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | | | trans | -118.2 | 153 | 179.8 | -61.4 | -39.5 | 0 | 0 | 0 | 112.1 | | |
| 699 | S | 26 | Very low | 28.6 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | -174.7 | 161 | 134.9 | 56.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 700 | A | 26.5 | Very low | 28.6 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -4.9 | 156.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 701 | A | 29 | Very low | 28.7 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -82.1 | -177.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 702 | P | 42.9 | Very low | 28.7 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | cis | -147.9 | -179.3 | 36 | 39 | -15.8 | 0 | 0 | 0 | 118.3 | | |
| 703 | C | 26.5 | Very low | 28.8 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | | | trans | 59.1 | 164 | 147.9 | 76.1 | 0 | 0 | 0 | 0 | 120 | | |
| 704 | N | 31.5 | Very low | 28.1 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | cis | -170.7 | 163.9 | -28.8 | -101.3 | -21.2 | 0 | 0 | 0 | 107.6 | | |
| 705 | V | 28.7 | Very low | 28 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 69.6 | 141.9 | 145.1 | 151.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 706 | I | 29 | Very low | 28 | Very low | 140 Ų | 140 | 131 Ų | 131 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | cis | -172.7 | 169.6 | -12 | -150.7 | -179.8 | 0 | 0 | 0 | 111.8 | | |
| 707 | V | 26.9 | Very low | 28.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 65% | 0.648 | 79% | 0.79 | S | S | * | * | | | trans | 79.6 | 127 | 151.2 | 159.6 | 0 | 0 | 0 | 0 | 123 | | |
| 708 | N | 26.8 | Very low | 28.8 | Very low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | 42.7 | 142.7 | 146.6 | -58.4 | -5.6 | 0 | 0 | 0 | 124.6 | | |
| 709 | G | 27.6 | Very low | 28.8 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | | | trans | -172.2 | 79.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 710 | T | 28.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -79.7 | 135.5 | 176.6 | 44.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 711 | G | 26.6 | Very low | 29 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -160.2 | 127.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 712 | W | 28 | Very low | 29 | Very low | 232 Ų | 232 | 139.9 Ų | 139.9 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -102.2 | 139.7 | 171.5 | -74.3 | 53 | 0 | 0 | 0 | 108.8 | | |
| 713 | H | 26.9 | Very low | 28.2 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -147.8 | 125.1 | 153.7 | -96.1 | -76.1 | 0 | 0 | 0 | 110.7 | | |
| 714 | S | 25.2 | Very low | 28.5 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -107.7 | 129.7 | 165.7 | -60.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 715 | L | 27.5 | Very low | 28.2 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | | | trans | -140.4 | 118.6 | 168.2 | -61.8 | 173.4 | 0 | 0 | 0 | 105 | | |
| 716 | L | 25.8 | Very low | 28.1 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | | 119 | 130.7 | 63.5 | -92.8 | 179.6 | 0 | 0 | 0 | 106.4 | | |
| 717 | N | 32.3 | Very low | 28 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | -83.9 | 158 | 168.5 | -75.6 | -14.3 | 0 | 0 | 0 | 110.4 | | |
| 718 | P | 35.9 | Very low | 28 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | | | | -129.5 | 139.2 | 111.6 | 35.6 | -28.3 | 0 | 0 | 0 | 111 | | |
| 719 | D | 26.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | | | | 73.8 | 117.7 | 57 | -157.8 | -41.1 | 0 | 0 | 0 | 114.1 | | |
| 720 | R | 29 | Very low | 30 | Very low | 254 Ų | 254 | 152.4 Ų | 152.4 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | | | trans | -156.2 | 146.5 | 151.9 | -115.3 | 178.7 | -176.7 | -123.7 | -2.2 | 110.7 | | |
| 721 | K | 28 | Very low | 30 | Very low | 205 Ų | 205 | 152.8 Ų | 152.8 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | trans | -148.6 | 145.9 | -166.4 | 177.4 | -177.1 | 177.1 | -177.9 | 0 | 112 | | |
| 722 | G | 29.8 | Very low | 30 | Very low | 66 Ų | 66 | 155.9 Ų | 155.9 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | | | trans | 150.7 | 147.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 723 | E | 25.6 | Very low | 29.9 | Very low | 202 Ų | 202 | 148 Ų | 148 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | | | cis | -126.6 | -142.6 | 3.3 | -66.7 | -161.7 | 69.7 | 0 | 0 | 113.6 | | |
| 724 | R | 31.9 | Very low | 29.9 | Very low | 226 Ų | 226 | 146.1 Ų | 146.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -159.1 | 142.7 | -141.1 | 179.4 | -149 | -55.2 | -126.4 | 3.2 | 113.5 | | |
| 725 | D | 25.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -162.2 | 158.5 | 148.9 | -91.3 | -36.3 | 0 | 0 | 0 | 109.6 | | |
| 726 | G | 27.8 | Very low | 30.5 | Very low | 66 Ų | 66 | 147.4 Ų | 147.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | cis | 176.3 | 11.7 | -2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 727 | E | 25.1 | Very low | 30.7 | Very low | 202 Ų | 202 | 148.6 Ų | 148.6 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | | | trans | -149.1 | 174.6 | -178.4 | -118.7 | 175.4 | 112.1 | 0 | 0 | 116.6 | | |
| 728 | N | 27.7 | Very low | 30.7 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -162.8 | 166.4 | -157.4 | -131.4 | -8.4 | 0 | 0 | 0 | 113.6 | | |
| 729 | P | 52.1 | Low | 30.6 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | cis | -109.1 | -86.5 | -35 | 25.1 | -3.9 | 0 | 0 | 0 | 112.9 | | |
| 730 | P | 45.2 | Very low | 30.9 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | cis | -131.4 | 128.5 | -30.1 | 31.6 | -9.2 | 0 | 0 | 0 | 118.3 | | |
| 731 | N | 26.4 | Very low | 31.1 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | 78.8 | 155.6 | 136.1 | -141.1 | 22.7 | 0 | 0 | 0 | 126.3 | | |
| 732 | N | 27.7 | Very low | 31.6 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | 71.3 | 143 | 175.7 | -60.5 | -2.3 | 0 | 0 | 0 | 117.2 | | |
| 733 | G | 26.6 | Very low | 31.6 | Very low | 66 Ų | 66 | 147.2 Ų | 147.2 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | cis | 112.5 | 130.1 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 734 | D | 26.6 | Very low | 32.3 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | cis | -149 | 160.8 | 17.1 | -101 | -74.7 | 0 | 0 | 0 | 110.3 | | |
| 735 | L | 35.1 | Very low | 32.1 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | | 42.1 | 144.9 | 98 | -83.8 | 81.4 | 0 | 0 | 0 | 116.9 | | |
| 736 | E | 29.4 | Very low | 32.3 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | cis | -161.8 | 171 | -6.7 | -135.4 | -168.1 | 165.3 | 0 | 0 | 113.2 | | |
| 737 | R | 30.2 | Very low | 32.3 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 67% | 0.672 | 76% | 0.761 | S | S | * | * | | | trans | 40.2 | 130.4 | 146.7 | -79.1 | 178.9 | -161 | -88.8 | -3.5 | 126.8 | | |
| 738 | E | 31.4 | Very low | 32.4 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | | 60.9 | 121.2 | 122.6 | -65.4 | -178.6 | 91.7 | 0 | 0 | 125.4 | | |
| 739 | A | 34.9 | Very low | 32.3 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | | 78.3 | 125.6 | 121.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 740 | L | 32.8 | Very low | 32 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | | | trans | 59.5 | 126.7 | 148.3 | -59.3 | 167.8 | 0 | 0 | 0 | 119.5 | | |
| 741 | K | 33.7 | Very low | 31.2 | Very low | 185 Ų | 185 | 134 Ų | 134 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | -175.2 | 153.4 | 106.7 | -161.8 | 154.1 | -170.5 | 175.9 | 0 | 113.8 | | |
| 742 | E | 36.8 | Very low | 31.4 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | trans | -73.3 | 160 | -178.9 | 65.6 | -122.6 | 103.1 | 0 | 0 | 116.9 | | |
| 743 | N | 31.3 | Very low | 31.6 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | -158.9 | 170.9 | 147.5 | -139 | -32.5 | 0 | 0 | 0 | 113.2 | | |
| 744 | N | 39.2 | Very low | 31.6 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | trans | -141.5 | -171.1 | -159.1 | -151.9 | -60.4 | 0 | 0 | 0 | 114 | | |
| 745 | C | 27.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | 80.1 | 144 | 165.1 | -61.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 746 | S | 30.6 | Very low | 31.8 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | cis | -153.3 | 138.9 | -1.3 | -91.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 747 | V | 28.5 | Very low | 31.8 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | | 74.1 | 118.8 | 75 | 177.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 748 | G | 25.9 | Very low | 31.9 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | | | trans | 173.9 | 129 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 749 | E | 26.5 | Very low | 31.8 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -126.1 | -174.8 | -176.3 | -101.1 | -83.9 | 130.8 | 0 | 0 | 109.4 | | |
| 750 | P | 45.7 | Very low | 31.7 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | cis | -140.4 | 170.6 | -2.5 | 36.5 | -15.9 | 0 | 0 | 0 | 119.3 | | |
| 751 | G | 27.6 | Very low | 31.4 | Very low | 71 Ų | 71 | 141.7 Ų | 141.7 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | 118.3 | 159 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 752 | K | 32 | Very low | 31.3 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | cis | -169.8 | 110.6 | 3.1 | -167.5 | 171.5 | -166.7 | 167.6 | 0 | 116.3 | | |
| 753 | R | 31.3 | Very low | 30.9 | Very low | 220 Ų | 220 | 138.4 Ų | 138.4 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | 70.1 | 160.1 | 162.9 | -56.3 | -172.8 | -71.3 | -157.6 | 4.4 | 116.5 | | |
| 754 | I | 25.8 | Very low | 30.8 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | cis | -146 | 154.9 | 32.8 | -68.5 | 171 | 0 | 0 | 0 | 113.8 | | |
| 755 | S | 32.8 | Very low | 30.4 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -17.9 | 166.1 | 160.1 | -67.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 756 | A | 33.2 | Very low | 30.5 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | cis | -176.2 | 177.3 | -15.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 757 | Q | 30.4 | Very low | 30.3 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | 67.4 | 148.8 | 162.6 | -57.8 | -164.8 | -84.5 | 0 | 0 | 118.4 | | |
| 758 | D | 31.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | cis | -161.2 | -170.5 | -22.8 | -96.7 | 156.9 | 0 | 0 | 0 | 106.4 | | |
| 759 | E | 29 | Very low | 30.6 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | cis | -151.3 | -163.5 | 15.2 | -158.9 | -125.9 | 71.3 | 0 | 0 | 110.4 | | |
| 760 | K | 33.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | trans | -166.1 | 124 | -178.2 | 176.4 | -141.7 | 173.9 | -172.3 | 0 | 113 | | |
| 761 | V | 27.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -142.7 | 158.7 | 158.7 | 117 | 0 | 0 | 0 | 0 | 114.1 | | |
| 762 | D | 30.8 | Very low | 30.6 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -146.2 | 134.6 | -166.5 | 179.5 | -9.1 | 0 | 0 | 0 | 109.3 | | |
| 763 | T | 29.3 | Very low | 30.4 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | -157.3 | 153.1 | 167.2 | -22.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 764 | K | 29.3 | Very low | 30.2 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -125.4 | 140.7 | -172.9 | 162.5 | -154.4 | 174.6 | -168.8 | 0 | 109.6 | | |
| 765 | V | 29.6 | Very low | 30.3 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 92% | 0.915 | 78% | 0.779 | S | S | * | * | | | trans | -158.7 | 164.3 | 152.1 | 119.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 766 | D | 30.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -114.7 | 151.2 | -166 | -178.5 | -81.2 | 0 | 0 | 0 | 112.1 | | |
| 767 | S | 27.7 | Very low | 30.2 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -171.3 | 147.6 | 145.6 | -85.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 768 | K | 31.5 | Very low | 30.3 | Very low | 187 Ų | 187 | 143 Ų | 143 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -47.5 | 168 | 166.9 | -66.3 | 173.9 | 171.2 | 176.7 | 0 | 113.7 | | |
| 769 | Q | 28.7 | Very low | 30.6 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | cis | -170.4 | 150.5 | 42.4 | -161.1 | 160.5 | -28.8 | 0 | 0 | 114 | | |
| 770 | D | 27.8 | Very low | 31.1 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | trans | -105.2 | 153.1 | 164 | -106.5 | -59.2 | 0 | 0 | 0 | 109.4 | | |
| 771 | P | 46.4 | Very low | 31 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | | | | -152.6 | 136.9 | 101.7 | 37 | -18.2 | 0 | 0 | 0 | 118.1 | | |
| 772 | D | 25.5 | Very low | 31.2 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | | 58.5 | 121.5 | 120.1 | -157.1 | 2.5 | 0 | 0 | 0 | 122.2 | | |
| 773 | S | 28.3 | Very low | 31.2 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -161.3 | 147.7 | 131.9 | -8.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 774 | S | 26.4 | Very low | 31.5 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -133.1 | -179.3 | -177.1 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 775 | M | 27.1 | Very low | 32 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | 74.8 | 158.8 | -165.3 | -58.4 | -176.8 | 63.5 | 0 | 0 | 114.1 | | |
| 776 | E | 30.6 | Very low | 32.4 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | | | cis | -118.5 | 159.7 | -6.9 | 47 | -84.3 | 142.3 | 0 | 0 | 110.4 | | |
| 777 | E | 33.9 | Very low | 32.5 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | cis | 66.2 | 123.2 | 49.4 | -156.8 | 175.9 | -149.6 | 0 | 0 | 114.2 | | |
| 778 | G | 32.4 | Very low | 32.5 | Very low | 62 Ų | 62 | 143.8 Ų | 143.8 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | cis | 175.1 | 164.4 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 779 | E | 38.1 | Very low | 32.5 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | 58.7 | 161.9 | 152.4 | -56.4 | -161.5 | 173.4 | 0 | 0 | 120.4 | | |
| 780 | H | 40.3 | Very low | 32.5 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | cis | -164.1 | 153 | -28.3 | -98.3 | -24.5 | 0 | 0 | 0 | 108.8 | | |
| 781 | A | 31 | Very low | 32.5 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -172.6 | 155 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 782 | Y | 31.3 | Very low | 31.7 | Very low | 229 Ų | 229 | 132.7 Ų | 132.7 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -123.5 | 171.6 | -170.5 | -109.7 | -103.6 | 0 | 0 | 0 | 114.1 | | |
| 783 | A | 29.7 | Very low | 32 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | 96.4 | 124 | 149 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 784 | L | 35.9 | Very low | 32.2 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -92.2 | 160.9 | 145.2 | -63.3 | 171.7 | 0 | 0 | 0 | 108.4 | | |
| 785 | P | 40.9 | Very low | 32.4 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | | -143.3 | -173.5 | 104.4 | 35.7 | -19.4 | 0 | 0 | 0 | 114.6 | | |
| 786 | L | 36.4 | Very low | 32.7 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | | | trans | -114.1 | -178 | -171.2 | -69 | 167.4 | 0 | 0 | 0 | 112.9 | | |
| 787 | L | 32 | Very low | 33.5 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | | | trans | 86.1 | 153.5 | 174.6 | -48 | 171.6 | 0 | 0 | 0 | 114.3 | | |
| 788 | S | 28.9 | Very low | 33.4 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | cis | -152.2 | 152.5 | 10.3 | -152.4 | 0 | 0 | 0 | 0 | 116 | | |
| 789 | A | 31.5 | Very low | 34 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | 22.3 | 150.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 790 | G | 28.3 | Very low | 33.9 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | 110 | 137.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 791 | G | 27.9 | Very low | 33.9 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | cis | -161.6 | -179.6 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 792 | C | 28.8 | Very low | 34 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -118.5 | 135.6 | -168.8 | -177.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 793 | V | 32 | Very low | 33.9 | Very low | 142 Ų | 142 | 127 Ų | 127 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | | | trans | -142.8 | 141.2 | 163.4 | -176.9 | 0 | 0 | 0 | 0 | 110 | | |
| 794 | V | 33 | Very low | 34 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | | | trans | -113.4 | 144.2 | 178 | 171.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 795 | I | 31.4 | Very low | 34 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | trans | -167.2 | 146.4 | 149 | -102.2 | 148.1 | 0 | 0 | 0 | 112.6 | | |
| 796 | Q | 31.7 | Very low | 33.6 | Very low | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -155 | 172.3 | 168.3 | -120.6 | -168 | 44.2 | 0 | 0 | 105.9 | | |
| 797 | P | 47.1 | Very low | 33.4 | Very low | 94 Ų | 94 | 127 Ų | 127 | 61% | 0.61 | 80% | 0.802 | S | S | * | * | | | cis | -137.5 | -177.5 | -12.9 | 39.2 | -21.2 | 0 | 0 | 0 | 114.9 | | |
| 798 | V | 32.6 | Very low | 33.4 | Very low | 137 Ų | 137 | 126 Ų | 126 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | 70.4 | 162.7 | 148.2 | 147.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 799 | P | 45.1 | Very low | 33.4 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | | | cis | -123.6 | -178.5 | 8.1 | 41 | -25.8 | 0 | 0 | 0 | 117.3 | | |
| 800 | K | 35.4 | Very low | 33.4 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -90.4 | 165 | 159.8 | -65.3 | 179.7 | 177.4 | 179.1 | 0 | 111.2 | | |
| 801 | P | 41.8 | Very low | 33.3 | Very low | 131 Ų | 131 | 130 Ų | 130 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -117.9 | 175.1 | 132.8 | 36.4 | -31.1 | 0 | 0 | 0 | 112.2 | | |
| 802 | A | 31.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -144 | 145.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 803 | A | 30.6 | Very low | 33.8 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | -179.6 | 171.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 804 | D | 32.3 | Very low | 33.9 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | -168.9 | 170.1 | -54.1 | -162.5 | -1.2 | 0 | 0 | 0 | 107 | | |
| 805 | K | 34.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | 70.5 | 158.7 | 166.2 | -62.2 | 169.4 | -173.1 | 174.8 | 0 | 117.1 | | |
| 806 | T | 33.6 | Very low | 34.7 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | | -175.2 | 174.4 | -53.8 | 29.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 807 | A | 32 | Very low | 34.5 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | | | trans | 82.9 | 128.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 808 | I | 30.9 | Very low | 33.8 | Very low | 149 Ų | 149 | 122 Ų | 122 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | cis | 107.5 | 147.5 | 19 | -64.6 | 162.7 | 0 | 0 | 0 | 112.2 | | |
| 809 | L | 30.3 | Very low | 33.7 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | | | trans | 82.6 | 116.6 | -170.4 | -50.5 | -178.8 | 0 | 0 | 0 | 112.6 | | |
| 810 | S | 30.3 | Very low | 32.9 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | cis | 78 | 113.4 | 13.3 | -40.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 811 | C | 27.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 113.9 Ų | 113.9 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | trans | 178.1 | 141.4 | 133.4 | -91.8 | 0 | 0 | 0 | 0 | 108 | | |
| 812 | S | 31.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 113.1 Ų | 113.1 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | cis | 69.5 | 152 | 27.3 | 85 | 0 | 0 | 0 | 0 | 113.8 | | |
| 813 | I | 36.2 | Very low | 33.2 | Very low | 145 Ų | 145 | 114 Ų | 114 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | | | cis | -161.7 | -179.1 | 15.8 | -143.8 | 159.1 | 0 | 0 | 0 | 108.5 | | |
| 814 | S | 32.2 | Very low | 33.1 | Very low | 85 Ų | 85 | 117.5 Ų | 117.5 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | | | | -158.9 | -168.6 | -69.5 | -73.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 815 | A | 30.7 | Very low | 33.2 | Very low | 68 Ų | 68 | 118.5 Ų | 118.5 | 56% | 0.562 | 76% | 0.755 | S | S | * | * | | | trans | 108.2 | -152.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | I477 | I477-A815 WeakPolarHBondContact CD1-O 3.42Š|
| 816 | P | 51.3 | Low | 33.1 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 56% | 0.558 | 76% | 0.758 | S | S | * | * | | | | -140 | 163.2 | -103.6 | 42.4 | -25.2 | 0 | 0 | 0 | 118.6 | P478 | P478-P816 VanDerWaalsContact CD-O 3.25Å; P478-P816 WeakPolarHBondContact CD-O 3.16Å |
| 817 | L | 27.5 | Very low | 34.1 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | | | trans | -159.3 | 166.4 | 146.3 | -88.4 | -152.2 | 0 | 0 | 0 | 111.1 | P478 | P478-L817 HydrophobicContact CG-CB 4.49Å; P478-L817 WeakPolarHBondContact O-CB 3.44Å; P478-L817 WeakPolarHBondContact O-CD1 3.24Å; P478-L817 VanDerWaalsContact O-CG 3.25Å; P478-L817 WeakPolarHBondContact O-CG 3.47Å |
| 818 | S | 33.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | -126.3 | 153.3 | -174.2 | -57 | 0 | 0 | 0 | 0 | 112.7 | | |
| 819 | A | 29.4 | Very low | 35.2 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | | | trans | -146 | 145.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 820 | G | 28.5 | Very low | 35.9 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | | | trans | -109 | 148.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 821 | G | 25.8 | Very low | 36.5 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -176.8 | 147.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 822 | S | 29.8 | Very low | 37.1 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | -171.1 | 154.1 | -170 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 823 | P | 58.9 | Low | 37.3 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | cis | -133.6 | 154.1 | -34.1 | 35.5 | -20.9 | 0 | 0 | 0 | 113.3 | | |
| 824 | E | 28.5 | Very low | 37.4 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -150.4 | 120 | 163.8 | -152.4 | 166.3 | 158 | 0 | 0 | 115.8 | | |
| 825 | L | 34.4 | Very low | 38 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | 52.1 | 122.3 | 153.5 | -59.9 | 172.6 | 0 | 0 | 0 | 123.8 | | |
| 826 | E | 32.4 | Very low | 38.6 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -85.1 | 172.1 | 157.3 | 163.4 | -174.8 | 177 | 0 | 0 | 110.2 | | |
| 827 | P | 55.4 | Low | 38.3 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | | | cis | -125.7 | -158.9 | -1.5 | 18.9 | 9.1 | 0 | 0 | 0 | 113.3 | | |
| 828 | P | 45.5 | Very low | 38.8 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | | | cis | -127.8 | 151.3 | -10.2 | 27.8 | -6.8 | 0 | 0 | 0 | 116.7 | K830 | P828-K830 PolarHBondContact O-N 3.22Š|
| 829 | L | 39.5 | Very low | 39.5 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | | | trans | -79.5 | 109.9 | 172.1 | -75.8 | 160.7 | 0 | 0 | 0 | 113.4 | R831 | L829-R831 PolarHBondContact O-N 3.27Š|
| 830 | K | 45.4 | Very low | 40 | Very low | 195 Ų | 195 | 157.2 Ų | 157.2 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | | | trans | -72.3 | 109.5 | 176.8 | -70.2 | -177.3 | 178.7 | 179.6 | 0 | 112.5 | P828 R832 | P828-K830 PolarHBondContact O-N 3.22Å; K830-R832 PolarHBondContact O-N 3.21Å |
| 831 | R | 42 | Very low | 40.5 | Very low | 183 Ų | 183 | 166.2 Ų | 166.2 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | | | trans | -69.7 | 94.3 | 174.9 | -71.7 | -179.9 | 167.9 | -163.5 | -7.5 | 112.2 | E178 L829 C833 | E178-R831 IonicContact OE1-CZ 3.33Å; E178-R831 IonicContact OE1-NH1 3.81Å; E178-R831 PolarHBondContact OE1-NH1 3.31Å; E178-R831 IonicContact OE1-NH2 2.89Å; E178-R831 IonicContact OE2-CZ 2.69Å; E178-R831 IonicContact OE2-NH1 3.79Å; E178-R831 PolarHBondContact OE2-NH1 3.03Å; E178-R831 IonicContact OE2-NH2 2.78Å; E178-R831 PolarHBondContact OE2-NH2 3.08Å; L829-R831 PolarHBondContact O-N 3.27Å; R831-C833 PolarHBondContact O-N 3.29Å |
| 832 | R | 41.1 | Very low | 41.2 | Very low | 230 Ų | 230 | 170.4 Ų | 170.4 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | | | trans | -73.6 | 90.6 | 174 | -175.7 | -177.1 | -80.6 | -166.9 | -3.7 | 111.2 | K830 L834 | K830-R832 PolarHBondContact O-N 3.21Å; R832-L834 PolarHBondContact O-N 2.83Å |
| 833 | C | 36 | Very low | 41.8 | Very low | 116 Ų | 116 | 173.3 Ų | 173.3 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | | | trans | -68 | 112.8 | 169.9 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | R831 R835 | R831-C833 PolarHBondContact O-N 3.29Å; C833-R835 PolarHBondContact O-N 2.82Å |
| 834 | L | 37.8 | Very low | 40.9 | Very low | 152 Ų | 152 | 176.4 Ų | 176.4 | 80% | 0.796 | 84% | 0.838 | S | S | * | * | | | trans | -69.9 | 114.5 | 172.7 | -73.6 | 164.4 | 0 | 0 | 0 | 110.4 | R832 I836 | R832-L834 PolarHBondContact O-N 2.83Å; L834-I836 PolarHBondContact O-N 2.85Å |
| 835 | R | 44 | Very low | 41.6 | Very low | 247 Ų | 247 | 176.4 Ų | 176.4 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | | | trans | -73.7 | 108.6 | 161.6 | -82.8 | -176.9 | 169.7 | 133.7 | -6.1 | 108.4 | C833 | C833-R835 PolarHBondContact O-N 2.82Š|
| 836 | I | 43.2 | Very low | 42 | Very low | 159 Ų | 159 | 177.6 Ų | 177.6 | 82% | 0.815 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 128.2 | 167.5 | -62.4 | 174.3 | 0 | 0 | 0 | 107.5 | L834 | L834-I836 PolarHBondContact O-N 2.85Š|
| 837 | R | 46.2 | Very low | 42.7 | Very low | 223 Ų | 223 | 177.9 Ų | 177.9 | 84% | 0.842 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 133.3 | 169.5 | -84.1 | -177.5 | 161.8 | 109.2 | -7.1 | 108.9 | Q839 | R837-Q839 PolarHBondContact O-N 2.65Š|
| 838 | N | 38.1 | Very low | 41.8 | Very low | 158 Ų | 158 | 183.1 Ų | 183.1 | 85% | 0.845 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.8 | 158.9 | -89.2 | -32.7 | 0 | 0 | 0 | 108.6 | | |
| 839 | Q | 47 | Very low | 41.5 | Very low | 181 Ų | 181 | 188.8 Ų | 188.8 | 85% | 0.846 | 86% | 0.864 | S | S | * | * | | | trans | -107.2 | 96.4 | 157.5 | -73.9 | -175.6 | -12.5 | 0 | 0 | 106.7 | R837 | R837-Q839 PolarHBondContact O-N 2.65Š|
| 840 | N | 41.1 | Very low | 41.6 | Very low | 161 Ų | 161 | 189.9 Ų | 189.9 | 86% | 0.861 | 86% | 0.86 | S | S | * | * | | | trans | -90.1 | 137.3 | 154.3 | -84.2 | -8 | 0 | 0 | 0 | 107.2 | | |
| 841 | K | 37.8 | Very low | 41.3 | Very low | 274 Ų | 274 | 189.5 Ų | 189.5 | 100% | 1.191 | 86% | 0.861 | S | S | * | * | | | trans | -147.1 | 0 | 177.1 | -164.5 | -168.6 | -180 | -168.1 | 0 | 107.9 | | |