| 1 | M | 40.7 | Very low | 49.3 | Very low | 204 Ų | 204 | 136.8 Ų | 136.8 | 100% | 1.005 | 69% | 0.689 | S | S | * | * | | | | 0 | 97.6 | 0 | -78.6 | -71.9 | -80.8 | 0 | 0 | 107.6 | E3 | M1-E3 WeakPolarHBondContact CA-OE2 3.46Å; M1-E3 PolarHBondContact N-OE1 3.14Å; M1-E3 PolarHBondContact N-OE2 3.23Å |
| 2 | A | 41.4 | Very low | 49.6 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 69% | 0.687 | S | S | * | * | | | cis | -152.3 | 143.7 | -12.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 3 | E | 51.1 | Low | 49.5 | Very low | 64 Ų | 64 | 136.6 Ų | 136.6 | 30% | 0.299 | 69% | 0.687 | S | S | . | * | | | trans | -160.6 | 133.2 | -130.6 | -74.6 | 121.7 | 172.9 | 0 | 0 | 116.3 | M1 D285 G286 | M1-E3 WeakPolarHBondContact CA-OE2 3.46Å; M1-E3 PolarHBondContact N-OE1 3.14Å; M1-E3 PolarHBondContact N-OE2 3.23Å; E3-D285 HydrophobicContact CB-CB 4Å; E3-D285 CarbonylContact O-C 3.58Å; E3-D285 WeakPolarHBondContact O-CA 3.24Å; E3-D285 WeakPolarHBondContact O-CB 3.26Å; E3-G286 WeakPolarHBondContact CB-O 3.34Å; E3-G286 WeakPolarHBondContact CG-O 2.8Å; E3-G286 PolarHBondContact O-N 3.02Å; E3-G286 VanDerWaalsContact O-N 3.09Å |
| 4 | P | 50.3 | Low | 49.4 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 58% | 0.584 | 69% | 0.689 | S | S | * | * | | | trans | -132.4 | 155.5 | 170.3 | 40.1 | -28.4 | 0 | 0 | 0 | 115 | G286 P287 | P4-G286 WeakPolarHBondContact O-CA 3.44Å; P4-P287 WeakPolarHBondContact O-CD 3.06Å |
| 5 | R | 45.5 | Very low | 49 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 54% | 0.536 | 70% | 0.703 | S | S | . | * | | | cis | 83 | 147.6 | -4.3 | -79.6 | -155.3 | -110.6 | 159.8 | -161.1 | 122.3 | E283 P284 D285 | R5-E283 WeakPolarHBondContact CB-OE2 3.18Å; R5-E283 VanDerWaalsContact CD-CD 3.47Å; R5-E283 WeakPolarHBondContact CD-OE1 3.49Å; R5-E283 WeakPolarHBondContact CD-OE2 3.39Å; R5-E283 IonicContact CZ-OE1 3.93Å; R5-E283 IonicContact NE-OE1 2.74Å; R5-E283 IonicContact NH2-OE1 2.72Å; R5-E283 PolarHBondContact NH2-OE1 3.42Å; R5-P284 HydrophobicContact CB-CB 3.62Å; R5-P284 PolarHBondContact NH2-O 2.79Å; R5-D285 VanDerWaalsContact NE-C 3.3Å; R5-D285 VanDerWaalsContact NE-N 3.17Å; R5-D285 PolarHBondContact NE-O 3.11Å; R5-D285 PolarHBondContact NH1-O 2.94Å |
| 6 | Q | 54.4 | Low | 48.8 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | | | trans | -169.7 | 142.6 | -161.7 | 163.8 | -173.5 | 67.4 | 0 | 0 | 111.2 | | |
| 7 | E | 49 | Very low | 48.5 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 50% | 0.5 | 71% | 0.706 | S | S | . | * | | | trans | -167.5 | 136.2 | 175.3 | -158.5 | -172.6 | -112 | 0 | 0 | 118.1 | E283 K629 | E7-E283 HydrophobicContact CB-CG 3.95Å; E7-E283 HydrophobicContact CG-CG 4.31Å; E7-E283 WeakPolarHBondContact OE1-CG 3.28Å; E7-K629 WeakPolarHBondContact OE2-CE 3.37Å; E7-K629 IonicContact OE2-NZ 3.39Å; E7-K629 PolarHBondContact OE2-NZ 3.22Å |
| 8 | F | 46.1 | Very low | 48.1 | Very low | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | | | trans | -170.2 | 162.5 | 134.6 | 77.1 | -97.7 | 0 | 0 | 0 | 114.8 | | |
| 9 | E | 49.5 | Very low | 47.6 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | | | trans | -150.7 | 151.7 | -176.7 | 173.6 | -179.9 | -132.7 | 0 | 0 | 110.8 | | |
| 10 | V | 53.9 | Low | 47.5 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | | | trans | -150 | 166.9 | 165 | -155.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 11 | M | 59.9 | Low | 47.2 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | trans | -136.9 | -172 | -148.3 | -175.7 | 169.5 | 77.9 | 0 | 0 | 115.2 | | |
| 12 | E | 53.3 | Low | 47.1 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | | | trans | 78.6 | 149.1 | 164.9 | -76.4 | 112.6 | 157.3 | 0 | 0 | 121 | | |
| 13 | D | 47.8 | Very low | 47.2 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | | | cis | -169 | 173.7 | -33.1 | -148.8 | -32.8 | 0 | 0 | 0 | 112 | | |
| 14 | H | 48.5 | Very low | 46.6 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | | | trans | 91.6 | 114.5 | 147.4 | -66.5 | -4.9 | 0 | 0 | 0 | 123.7 | | |
| 15 | A | 43.5 | Very low | 46.1 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 89% | 0.893 | 71% | 0.707 | S | S | * | * | | | trans | 64.3 | 132.2 | 133.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 16 | G | 46 | Very low | 45.6 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | | | trans | 174.2 | 74.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 17 | T | 44.1 | Very low | 44.9 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 63% | 0.632 | 69% | 0.686 | S | S | * | * | | | trans | -86.7 | 149.3 | -164.5 | 47.3 | 0 | 0 | 0 | 0 | 118 | | |
| 18 | Y | 40.3 | Very low | 44.2 | Very low | 225 Ų | 225 | 120.8 Ų | 120.8 | 88% | 0.882 | 68% | 0.676 | S | S | * | * | | | trans | 75.3 | 136.7 | 158.1 | -42.2 | -55.6 | 0 | 0 | 0 | 120.1 | | |
| 19 | G | 39.8 | Very low | 43.7 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | | | trans | 159 | 118.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 20 | L | 43.9 | Very low | 43.4 | Very low | 183 Ų | 183 | 117.7 Ų | 117.7 | 96% | 0.958 | 66% | 0.664 | S | S | * | * | | | trans | -75 | 154.4 | 179.9 | -70.6 | 69.6 | 0 | 0 | 0 | 112.7 | | |
| 21 | G | 41.1 | Very low | 42.9 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 86% | 0.856 | 66% | 0.66 | S | S | * | * | | | trans | 165.1 | 128.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 22 | D | 40.3 | Very low | 42.3 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 65% | 0.652 | 66% | 0.658 | S | S | * | * | | | trans | -120.3 | 136.5 | -173.4 | -155.9 | -23.2 | 0 | 0 | 0 | 110.2 | | |
| 23 | R | 42.8 | Very low | 41.8 | Very low | 198 Ų | 198 | 118.5 Ų | 118.5 | 75% | 0.747 | 66% | 0.658 | S | S | * | * | | | trans | 71 | 150.2 | 168.6 | -63.4 | 143.4 | -145.7 | -167.6 | 13.2 | 119 | | |
| 24 | K | 39.2 | Very low | 41.6 | Very low | 57 Ų | 57 | 117.9 Ų | 117.9 | 25% | 0.248 | 66% | 0.655 | C | S | . | * | | | cis | 83 | 86.4 | 28.5 | -82.4 | -161.1 | 119.6 | -152 | 0 | 114.7 | E673 K675 S676 E677 | K24-E673 PolarHBondContact N-OE1 3.17Å; K24-K675 HydrophobicContact CB-CD 4.26Å; K24-K675 HydrophobicContact CB-CG 3.52Å; K24-K675 HydrophobicContact CD-CB 4.47Å; K24-K675 HydrophobicContact CD-CD 4.19Å; K24-K675 HydrophobicContact CD-CG 3.7Å; K24-K675 VanDerWaalsContact CE-C 3.41Å; K24-K675 WeakPolarHBondContact CE-O 2.99Å; K24-K675 HydrophobicContact CG-CB 4.41Å; K24-K675 HydrophobicContact CG-CG 3.67Å; K24-K675 WeakPolarHBondContact O-CE 3.41Å; K24-S676 WeakPolarHBondContact CD-O 3.4Å; K24-S676 WeakPolarHBondContact CE-O 3.45Å; K24-S676 WeakPolarHBondContact CG-O 3.5Å; K24-E677 HydrophobicContact CD-CB 3.9Å; K24-E677 IonicContact NZ-OE2 2.71Å; K24-E677 PolarHBondContact NZ-OE2 2.98Å |
| 25 | D | 38.9 | Very low | 41.4 | Very low | 52 Ų | 52 | 117.5 Ų | 117.5 | 28% | 0.278 | 65% | 0.653 | S | S | . | * | | | | 178.2 | 156.3 | 107.2 | -146.9 | 0.6 | 0 | 0 | 0 | 118.2 | E673 K675 | D25-E673 PolarHBondContact N-OE1 3.28Å; D25-E673 WeakPolarHBondContact O-CB 3.45Å; D25-E673 WeakPolarHBondContact O-CG 3.4Å; D25-K675 HydrophobicContact CB-CD 3.87Å; D25-K675 HydrophobicContact CB-CG 3.77Å; D25-K675 VanDerWaalsContact CG-CE 3.42Å; D25-K675 VanDerWaalsContact CG-CG 3.42Å; D25-K675 VanDerWaalsContact CG-NZ 3.27Å; D25-K675 WeakPolarHBondContact OD1-CB 3.44Å; D25-K675 VanDerWaalsContact OD1-CD 3.26Å; D25-K675 WeakPolarHBondContact OD1-CD 3.36Å; D25-K675 WeakPolarHBondContact OD1-CG 3.11Å; D25-K675 VanDerWaalsContact OD2-CD 3.24Å; D25-K675 WeakPolarHBondContact OD2-CD 3.4Å; D25-K675 VanDerWaalsContact OD2-CE 3.28Å; D25-K675 WeakPolarHBondContact OD2-CE 3.09Å; D25-K675 IonicContact OD2-NZ 3.76Å; D25-K675 PolarHBondContact OD2-NZ 2.95Å |
| 26 | Q | 35.8 | Very low | 41.2 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 61% | 0.607 | 65% | 0.653 | S | S | * | * | | | trans | -29.9 | 137.1 | 149 | -56.4 | 156.8 | 101.1 | 0 | 0 | 112.2 | E673 | Q26-E673 WeakPolarHBondContact CA-O 3.46Å; Q26-E673 VanDerWaalsContact CG-O 3.29Å; Q26-E673 WeakPolarHBondContact CG-O 3.37Å; Q26-E673 PolarHBondContact N-O 3.29Å |
| 27 | G | 38.4 | Very low | 41.1 | Very low | 33 Ų | 33 | 121.2 Ų | 121.2 | 34% | 0.34 | 65% | 0.652 | S | S | . | * | | | cis | 156.1 | 154.5 | 17.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y29 | G27-Y29 WeakPolarHBondContact O-CE2 3.41Å; G27-Y29 PolarHBondContact O-OH 3.34Å |
| 28 | G | 35.8 | Very low | 41.2 | Very low | 29 Ų | 29 | 123 Ų | 123 | 30% | 0.299 | 66% | 0.658 | S | S | . | * | | | trans | 97 | 158.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q671 | G28-Q671 VanDerWaalsContact CA-O 3.32Å; G28-Q671 WeakPolarHBondContact CA-O 3.3Å; G28-Q671 PolarHBondContact N-O 2.66Å |
| 29 | Y | 34.7 | Very low | 41.5 | Very low | 192 Ų | 192 | 118 Ų | 118 | 75% | 0.753 | 65% | 0.651 | S | S | * | * | | | trans | 33.5 | 131.6 | 149.3 | 28.6 | -107.7 | 0 | 0 | 0 | 120.5 | G27 | G27-Y29 WeakPolarHBondContact O-CE2 3.41Å; G27-Y29 PolarHBondContact O-OH 3.34Å |
| 30 | T | 43.1 | Very low | 41.7 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 59% | 0.589 | 65% | 0.653 | S | S | * | * | | | cis | 176.5 | 171.8 | -10.2 | 21.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 31 | M | 43.3 | Very low | 41.6 | Very low | 148 Ų | 148 | 117.2 Ų | 117.2 | 73% | 0.729 | 64% | 0.643 | S | S | * | * | | | trans | 80.7 | 119.7 | 165.9 | -43.2 | -57.9 | -92 | 0 | 0 | 117.2 | | |
| 32 | H | 47.1 | Very low | 41.6 | Very low | 144 Ų | 144 | 117.1 Ų | 117.1 | 67% | 0.667 | 64% | 0.641 | S | S | * | * | | | | 40.4 | 143.6 | 118.6 | -57 | -58.9 | 0 | 0 | 0 | 120.7 | | |
| 33 | Q | 42.6 | Very low | 41.9 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | | | cis | -162.7 | 175.7 | 13.7 | -128.9 | 157.5 | 35.8 | 0 | 0 | 112.5 | | |
| 34 | D | 43.5 | Very low | 41.9 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | | | trans | 81.5 | 131.9 | 148.5 | -67.3 | -1 | 0 | 0 | 0 | 124.6 | | |
| 35 | Q | 44 | Very low | 41.9 | Very low | 146 Ų | 146 | 120.2 Ų | 120.2 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | | | trans | 66.9 | 111 | 145.5 | -67.6 | 163.2 | 64.9 | 0 | 0 | 118.2 | | |
| 36 | E | 40 | Very low | 42 | Very low | 187 Ų | 187 | 123 Ų | 123 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | | | | 99.8 | 128.1 | 55.2 | -83.2 | 163.6 | -130.4 | 0 | 0 | 111.5 | | |
| 37 | G | 43.6 | Very low | 42.9 | Very low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | | | trans | 170.4 | 35.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 38 | D | 46.7 | Very low | 43 | Very low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | | | trans | 31.2 | 137.9 | 145.3 | -148.1 | 44.8 | 0 | 0 | 0 | 125.3 | | |
| 39 | T | 47.2 | Very low | 43.2 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | | | trans | 55.4 | 162.1 | 152.5 | 50.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 40 | D | 42.7 | Very low | 43.6 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | | | cis | -171.6 | 175 | -39 | -174.9 | 33.9 | 0 | 0 | 0 | 110.7 | | |
| 41 | A | 43.5 | Very low | 44.1 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | | | trans | 89.5 | 128.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 42 | G | 40.3 | Very low | 44.8 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | | | trans | 165.8 | 43 | 172.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 43 | L | 46.8 | Very low | 44.7 | Very low | 155 Ų | 155 | 122.2 Ų | 122.2 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | | | trans | -50.4 | 162 | 171.3 | -55.7 | 179.5 | 0 | 0 | 0 | 114.2 | | |
| 44 | K | 42.6 | Very low | 45.5 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 65% | 0.652 | 70% | 0.695 | S | S | * | * | | | cis | -175.6 | 172.5 | -5.8 | -105.2 | -174.5 | -179.7 | -67.3 | 0 | 107.5 | | |
| 45 | E | 38.9 | Very low | 46.1 | Very low | 138 Ų | 138 | 118.5 Ų | 118.5 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | | | cis | 176.2 | 139.9 | -27.2 | 171.4 | 174.7 | -75.5 | 0 | 0 | 113.6 | | |
| 46 | S | 42.5 | Very low | 46.4 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | | | trans | 81.2 | 158.5 | 152.5 | -72.9 | 0 | 0 | 0 | 0 | 126 | | |
| 47 | P | 53 | Low | 46.9 | Very low | 108 Ų | 108 | 116.2 Ų | 116.2 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | | | trans | -140.4 | -142.6 | -159.5 | 42.8 | -19.2 | 0 | 0 | 0 | 116.6 | | |
| 48 | L | 40.7 | Very low | 47.1 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | | | trans | 95.2 | 155.5 | 166 | -50.7 | 179.9 | 0 | 0 | 0 | 117.7 | | |
| 49 | Q | 40 | Very low | 47.6 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | | | cis | -164.8 | -177.2 | -5.9 | -116.4 | 163 | -9.9 | 0 | 0 | 112.9 | | |
| 50 | T | 44 | Very low | 47.5 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | | | trans | -127.1 | 161.2 | -165.4 | 45.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 51 | P | 53.6 | Low | 47.9 | Very low | 83 Ų | 83 | 114.1 Ų | 114.1 | 54% | 0.539 | 69% | 0.689 | S | S | . | * | | | trans | -121.1 | 170.7 | 179.3 | 44.2 | -33.2 | 0 | 0 | 0 | 118.2 | | |
| 52 | T | 56.8 | Low | 48.1 | Very low | 60 Ų | 60 | 118 Ų | 118 | 37% | 0.368 | 69% | 0.691 | S | S | . | * | | | trans | -163.5 | 165.8 | -150.7 | 39.2 | 0 | 0 | 0 | 0 | 122.1 | Y645 K646 P647 | T52-Y645 WeakPolarHBondContact CB-O 3.12Å; T52-Y645 WeakPolarHBondContact CG2-O 3.41Å; T52-K646 VanDerWaalsContact C-CG 3.43Å; T52-K646 WeakPolarHBondContact O-CG 3.2Å; T52-K646 PolarHBondContact O-NZ 3.01Å; T52-K646 WeakPolarHBondContact OG1-CG 3.27Å; T52-P647 WeakPolarHBondContact OG1-CD 2.94Å |
| 53 | E | 46.6 | Very low | 48.5 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 33% | 0.327 | 69% | 0.685 | S | S | . | * | | | trans | 54.2 | 163.2 | 170.8 | 112.1 | 162.1 | 81.9 | 0 | 0 | 126.2 | V644 Y645 K646 | E53-V644 HydrophobicContact CB-CB 3.84Å; E53-V644 HydrophobicContact CB-CG1 4.27Å; E53-Y645 VanDerWaalsContact CB-N 3.31Å; E53-Y645 WeakPolarHBondContact OE1-CA 3.29Å; E53-K646 HydrophobicContact CB-CB 4.15Å; E53-K646 HydrophobicContact CB-CG 3.81Å; E53-K646 HydrophobicContact CG-CB 3.61Å; E53-K646 HydrophobicContact CG-CD 3.87Å; E53-K646 HydrophobicContact CG-CG 3.49Å; E53-K646 VanDerWaalsContact CG-CG 3.49Å; E53-K646 PolarHBondContact O-NZ 3.05Å; E53-K646 PolarHBondContact OE1-N 3.32Å |
| 54 | D | 58.5 | Low | 48.7 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | | | cis | -150.2 | 160.1 | 46.2 | -43.3 | -110 | 0 | 0 | 0 | 120 | K646 | D54-K646 VanDerWaalsContact CG-NZ 3.26Å; D54-K646 WeakPolarHBondContact OD1-CE 3.38Å; D54-K646 IonicContact OD1-NZ 2.71Å; D54-K646 PolarHBondContact OD1-NZ 3.4Å; D54-K646 VanDerWaalsContact OD2-CE 3.25Å; D54-K646 WeakPolarHBondContact OD2-CE 3.43Å; D54-K646 IonicContact OD2-NZ 3.68Å; D54-K646 PolarHBondContact OD2-NZ 2.93Å |
| 55 | G | 56.2 | Low | 48.8 | Very low | 68 Ų | 68 | 116.3 Ų | 116.3 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | | | trans | 116.5 | 171.7 | 138.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 56 | S | 50.9 | Low | 49.2 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | | | trans | -145.2 | -178.7 | -166.9 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 57 | E | 49.2 | Very low | 49.3 | Very low | 180 Ų | 180 | 117.1 Ų | 117.1 | 84% | 0.841 | 68% | 0.684 | S | S | * | * | | | cis | -159.5 | -159.5 | 3 | 45.7 | -154.3 | 59.2 | 0 | 0 | 112.7 | | |
| 58 | E | 49.2 | Very low | 48.8 | Very low | 170 Ų | 170 | 116.6 Ų | 116.6 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | | | trans | -142.5 | -166.3 | -173 | -133.3 | -140.8 | 115.1 | 0 | 0 | 110.3 | | |
| 59 | P | 57.4 | Low | 48.9 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | | | cis | -139.5 | -173.9 | -0.8 | 44.4 | -25.1 | 0 | 0 | 0 | 118.3 | | |
| 60 | G | 45.1 | Very low | 49.4 | Very low | 60 Ų | 60 | 112 Ų | 112 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | | | trans | 113.6 | 152.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 61 | S | 51.2 | Low | 49.2 | Very low | 102 Ų | 102 | 109.5 Ų | 109.5 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | | | cis | -163.8 | 155.9 | 1.1 | -69.8 | 0 | 0 | 0 | 0 | 112 | | |
| 62 | E | 47.2 | Very low | 48.9 | Very low | 172 Ų | 172 | 105.8 Ų | 105.8 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | | | trans | 53.1 | 154.6 | 143.2 | -65.6 | 178.6 | 83.5 | 0 | 0 | 122.1 | | |
| 63 | T | 49.1 | Very low | 48.7 | Very low | 113 Ų | 113 | 107.8 Ų | 107.8 | 69% | 0.693 | 64% | 0.64 | S | S | * | * | | | cis | -162.9 | 170.3 | -7.7 | 22.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 64 | S | 50.3 | Low | 48.8 | Very low | 95 Ų | 95 | 110.3 Ų | 110.3 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | | | trans | 75.3 | 126.3 | 145.8 | -89.4 | 0 | 0 | 0 | 0 | 124.7 | | |
| 65 | D | 45.3 | Very low | 48.3 | Very low | 143 Ų | 143 | 110.5 Ų | 110.5 | 77% | 0.765 | 66% | 0.661 | S | S | * | * | | | | 55.8 | 143.3 | 128.3 | -66.4 | -81.7 | 0 | 0 | 0 | 122.6 | | |
| 66 | A | 45.5 | Very low | 47.9 | Very low | 74 Ų | 74 | 113.1 Ų | 113.1 | 61% | 0.612 | 66% | 0.663 | S | S | * | * | | | cis | -168.7 | 155.5 | -3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 67 | K | 45.1 | Very low | 47.6 | Very low | 192 Ų | 192 | 111.3 Ų | 111.3 | 84% | 0.835 | 66% | 0.655 | S | S | * | * | | | trans | 58.4 | 136.3 | 140.8 | -71.6 | 174.2 | -178.8 | 172.7 | 0 | 124.6 | | |
| 68 | S | 42.9 | Very low | 48.1 | Very low | 97 Ų | 97 | 105.6 Ų | 105.6 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | | | trans | 74.7 | 109.3 | 132.8 | -75 | 0 | 0 | 0 | 0 | 121.2 | | |
| 69 | T | 42.4 | Very low | 48.3 | Very low | 132 Ų | 132 | 103.1 Ų | 103.1 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | | | | 95.6 | 149.1 | 73.6 | 48.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 70 | P | 50.9 | Low | 48.1 | Very low | 77 Ų | 77 | 102.8 Ų | 102.8 | 50% | 0.5 | 62% | 0.621 | S | S | . | * | | | trans | -126.2 | 179.1 | -144.7 | 22.2 | 3.1 | 0 | 0 | 0 | 118.6 | V755 | P70-V755 HydrophobicContact CB-CG1 4.03Å; P70-V755 HydrophobicContact CB-CG2 4.23Å; P70-V755 HydrophobicContact CG-CG1 4.15Å; P70-V755 HydrophobicContact CG-CG2 3.86Å |
| 71 | T | 39.5 | Very low | 48.4 | Very low | 75 Ų | 75 | 106.9 Ų | 106.9 | 46% | 0.46 | 63% | 0.628 | S | S | . | * | | | trans | -161.5 | 155.2 | 175.7 | -68.9 | 0 | 0 | 0 | 0 | 116.4 | M754 V755 D756 S757 | T71-M754 WeakPolarHBondContact CA-O 3.22Å; T71-M754 HydrophobicContact CG2-CB 4.25Å; T71-M754 HydrophobicContact CG2-CE 4.26Å; T71-M754 HydrophobicContact CG2-CG 4.44Å; T71-V755 VanDerWaalsContact C-C 3.45Å; T71-V755 CarbonylContact O-C 3.46Å; T71-D756 CarbonylContact O-C 3.17Å; T71-D756 VanDerWaalsContact O-C 3.25Å; T71-D756 WeakPolarHBondContact O-CA 3.25Å; T71-D756 PolarHBondContact O-N 2.78Å; T71-S757 PolarHBondContact O-N 3.39Å |
| 72 | A | 48.7 | Very low | 48.1 | Very low | 6 Ų | 6 | 109.5 Ų | 109.5 | 5% | 0.05 | 63% | 0.629 | C | S | . | * | B | Isolated β-bridge | trans | -93.9 | 177.4 | -153.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | V755 D756 S757 | A72-V755 VanDerWaalsContact CA-O 3.25Å; A72-V755 WeakPolarHBondContact CA-O 3.14Å; A72-V755 VanDerWaalsContact CB-N 3.32Å; A72-V755 VanDerWaalsContact CB-O 3.32Å; A72-V755 WeakPolarHBondContact CB-O 2.87Å; A72-D756 VanDerWaalsContact C-C 3.41Å; A72-D756 CarbonylContact C-O 3.46Å; A72-D756 WeakPolarHBondContact CA-O 3.18Å; A72-S757 WeakPolarHBondContact O-CA 3.08Å; A72-S757 WeakPolarHBondContact O-CB 3.29Å; A72-S757 PolarHBondContact O-OG 2.8Å |
| 73 | E | 51.9 | Low | 47.8 | Very low | 101 Ų | 101 | 104.5 Ų | 104.5 | 47% | 0.472 | 62% | 0.624 | S | S | . | * | | | trans | 115.9 | 125.9 | 166.9 | -49.1 | -27.8 | 113.2 | 0 | 0 | 113.2 | D756 S757 P758 | E73-D756 CarbonylContact C-O 3.36Å; E73-D756 PolarHBondContact N-O 3.4Å; E73-S757 CarbonylContact O-C 3.37Å; E73-S757 VanDerWaalsContact O-CA 3.3Å; E73-S757 WeakPolarHBondContact O-CA 3.17Å; E73-P758 WeakPolarHBondContact O-CD 3.29Å; E73-P758 WeakPolarHBondContact O-CG 3.45Å; E73-P758 VanDerWaalsContact O-N 3.14Å |
| 74 | D | 47.5 | Very low | 47.6 | Very low | 123 Ų | 123 | 102.8 Ų | 102.8 | 66% | 0.658 | 62% | 0.622 | S | S | * | * | | | cis | 101.1 | 159 | 35.4 | -167 | 37.6 | 0 | 0 | 0 | 115.3 | | |
| 75 | V | 48 | Very low | 47.5 | Very low | 120 Ų | 120 | 104.4 Ų | 104.4 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | | | trans | 83 | 143.6 | 163.4 | -169.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 76 | T | 48.3 | Very low | 47.4 | Very low | 122 Ų | 122 | 100.9 Ų | 100.9 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | | | cis | -175.9 | 161.6 | -36.5 | -88 | 0 | 0 | 0 | 0 | 108.4 | | |
| 77 | A | 45.8 | Very low | 47.6 | Very low | 67 Ų | 67 | 106.2 Ų | 106.2 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | | | trans | -88 | 163.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E262 | A77-E262 HydrophobicContact CB-CG 4.35Å; A77-E262 WeakPolarHBondContact CB-OE2 3.2Å |
| 78 | P | 58.5 | Low | 47.5 | Very low | 60 Ų | 60 | 105.1 Ų | 105.1 | 39% | 0.39 | 63% | 0.634 | S | S | . | * | | | trans | -123 | 47.1 | -171.6 | 43.2 | -34.8 | 0 | 0 | 0 | 121.5 | P260 E262 | P78-P260 HydrophobicContact CB-CG 4.45Å; P78-P260 HydrophobicContact CG-CG 4.26Å; P78-E262 HydrophobicContact CG-CB 4.07Å; P78-E262 VanDerWaalsContact N-OE2 3.08Å |
| 79 | L | 54.4 | Low | 47.2 | Very low | 118 Ų | 118 | 105.2 Ų | 105.2 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | | | trans | 44.5 | 172 | 153.5 | -156.2 | 57.4 | 0 | 0 | 0 | 124.5 | E262 | L79-E262 PolarHBondContact N-OE2 2.8Š|
| 80 | V | 52.7 | Low | 47 | Very low | 110 Ų | 110 | 103.6 Ų | 103.6 | 67% | 0.667 | 64% | 0.641 | S | S | * | * | | | trans | 72.3 | 153.3 | 155.5 | -93.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 81 | D | 51.7 | Low | 46.5 | Very low | 146 Ų | 146 | 104.7 Ų | 104.7 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | | | cis | -162.2 | 175.6 | -12.8 | -132.8 | 173.1 | 0 | 0 | 0 | 108.6 | | |
| 82 | E | 44.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 109.6 Ų | 109.6 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | | | cis | -128.9 | -84.4 | -9.8 | -177 | -115.7 | 111.7 | 0 | 0 | 111.2 | A84 | E82-A84 WeakPolarHBondContact OE1-CB 3.19Å; E82-A84 PolarHBondContact OE1-N 2.78Å |
| 83 | G | 41.9 | Very low | 46.6 | Very low | 67 Ų | 67 | 113.1 Ų | 113.1 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | | | cis | -158.9 | 102.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 84 | A | 43.9 | Very low | 46.1 | Very low | 78 Ų | 78 | 116 Ų | 116 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | | | trans | -94.6 | -158.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E82 | E82-A84 WeakPolarHBondContact OE1-CB 3.19Å; E82-A84 PolarHBondContact OE1-N 2.78Å |
| 85 | P | 48.4 | Very low | 45.8 | Very low | 129 Ų | 129 | 115.8 Ų | 115.8 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | | | cis | -136.5 | -179.5 | -18.6 | 41.3 | -24.8 | 0 | 0 | 0 | 115.2 | | |
| 86 | G | 44.1 | Very low | 45.5 | Very low | 68 Ų | 68 | 118 Ų | 118 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | trans | 144.4 | 101.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 87 | K | 47.8 | Very low | 45.5 | Very low | 187 Ų | 187 | 120 Ų | 120 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | | | trans | 68.9 | 118.6 | 130.2 | -65.8 | -178.9 | 178.8 | -179.9 | 0 | 124.3 | | |
| 88 | Q | 42.9 | Very low | 46.1 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | | | | 76.9 | 124.5 | 125.4 | -65.8 | 178.9 | -71.3 | 0 | 0 | 123.4 | | |
| 89 | A | 36.7 | Very low | 45.9 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | 70.5 | 146.5 | 135 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 90 | A | 39 | Very low | 45.6 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | cis | -164.1 | -165.7 | -12.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 91 | A | 40.3 | Very low | 45.6 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | | | trans | 83.1 | 91.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 92 | Q | 41.4 | Very low | 45.5 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | -28.4 | 174.3 | 133.3 | -67 | -87.1 | -63.9 | 0 | 0 | 117.3 | | |
| 93 | P | 48.2 | Very low | 45.9 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 51% | 0.513 | 76% | 0.758 | S | S | . | * | | | cis | -144.4 | -144.9 | -36 | 41.3 | -20.7 | 0 | 0 | 0 | 113.3 | | |
| 94 | H | 42.6 | Very low | 46.5 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | | | trans | 83.7 | 148.6 | 170.6 | -51.2 | -65 | 0 | 0 | 0 | 116.4 | | |
| 95 | T | 41.7 | Very low | 46.8 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | | | cis | -150.6 | -178.9 | 2.1 | -9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 96 | E | 41.9 | Very low | 46.8 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -65.6 | 173.1 | -176.4 | -56.7 | 140.8 | 124.6 | 0 | 0 | 114.9 | | |
| 97 | I | 47.9 | Very low | 46.9 | Very low | 164 Ų | 164 | 130 Ų | 130 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | | | | -159.9 | 150.9 | 79.1 | -81.1 | 155.8 | 0 | 0 | 0 | 111.6 | | |
| 98 | P | 58.2 | Low | 46.9 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | trans | -119.9 | -151.3 | -175.5 | 41.2 | -24.6 | 0 | 0 | 0 | 114.6 | | |
| 99 | E | 54.4 | Low | 47.2 | Very low | 191 Ų | 191 | 125 Ų | 125 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | trans | 76.7 | 149.3 | 176.7 | -45.8 | -171.9 | 157.1 | 0 | 0 | 115.3 | | |
| 100 | G | 48.4 | Very low | 47.7 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | | | cis | 178.8 | -179.6 | -3.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 101 | T | 51.9 | Low | 48 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | cis | -175.1 | 159.3 | -13.7 | 11 | 0 | 0 | 0 | 0 | 110.2 | | |
| 102 | T | 50.7 | Low | 48.7 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | | | trans | 66.2 | 159.2 | 164.6 | 58.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 103 | A | 52 | Low | 48.8 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | | | cis | -141.1 | 160.7 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 104 | E | 55.2 | Low | 49.1 | Very low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | | 46.7 | 144.1 | 92.7 | -51.1 | -61 | 154.3 | 0 | 0 | 115.4 | | |
| 105 | E | 48.9 | Very low | 49.5 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | cis | -155.4 | 160.2 | 21.4 | -158.1 | -165.2 | 128.7 | 0 | 0 | 111.8 | | |
| 106 | A | 47.8 | Very low | 50 | Low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | 57 | 148.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 107 | G | 47.1 | Very low | 50.5 | Low | 62 Ų | 62 | 130.6 Ų | 130.6 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | | | cis | 160.5 | 135.6 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 108 | I | 48.9 | Very low | 50.4 | Low | 182 Ų | 182 | 126.7 Ų | 126.7 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | | | trans | 60.7 | 126.6 | 154.8 | -45.5 | 165.4 | 0 | 0 | 0 | 117.8 | | |
| 109 | G | 48.8 | Very low | 50 | Low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | 156.5 | 94 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | T111 | G109-T111 PolarHBondContact O-N 3.24Š|
| 110 | D | 46.2 | Very low | 49.4 | Very low | 148 Ų | 148 | 121.4 Ų | 121.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -73.4 | 116.5 | 179.9 | -61.5 | -89.8 | 0 | 0 | 0 | 115 | | |
| 111 | T | 46.3 | Very low | 48.9 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 60.5 | 158.2 | 140.9 | 59.6 | 0 | 0 | 0 | 0 | 121.6 | G109 | G109-T111 PolarHBondContact O-N 3.24Š|
| 112 | P | 54.4 | Low | 48.4 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -119.1 | 163.7 | -158.4 | 42 | -31 | 0 | 0 | 0 | 116.9 | | |
| 113 | S | 43.7 | Very low | 47.6 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -152.1 | 127.7 | 148.3 | 52.3 | 0 | 0 | 0 | 0 | 109 | | |
| 114 | L | 53.7 | Low | 46.7 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | | 79.8 | 153.1 | 70.9 | -129.9 | 179.7 | 0 | 0 | 0 | 112 | | |
| 115 | E | 52.6 | Low | 45.7 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | | | trans | 57.9 | 142.8 | 173.1 | 54.6 | -131.1 | 77 | 0 | 0 | 117.2 | | |
| 116 | D | 51.6 | Low | 45.4 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | | | cis | -152.1 | 158.1 | 21.2 | -156.4 | 28.3 | 0 | 0 | 0 | 115.7 | | |
| 117 | E | 52.2 | Low | 44.9 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | 18.8 | 131 | 157.1 | -75.4 | -71 | 98.5 | 0 | 0 | 126.5 | | |
| 118 | A | 45.8 | Very low | 44.5 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | | 84.6 | 145.7 | 122.6 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 119 | A | 49.8 | Very low | 43.9 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | | | trans | 62.7 | 135.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 120 | G | 41.5 | Very low | 43.5 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | cis | 170.8 | -173 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 121 | H | 38.7 | Very low | 43.1 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | | | trans | 66.7 | 93 | 163.8 | -163.7 | -72.7 | 0 | 0 | 0 | 120.1 | | |
| 122 | V | 40.7 | Very low | 42.8 | Very low | 104 Ų | 104 | 129 Ų | 129 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | | | | 49.9 | 106.3 | 111.6 | 169.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 123 | T | 33.4 | Very low | 42.1 | Very low | 107 Ų | 107 | 130 Ų | 130 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | | 77.6 | 129.3 | 124.8 | -56.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 124 | Q | 34.6 | Very low | 41.8 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | 69.7 | 127.3 | 162.3 | -73.8 | 159.8 | 2.9 | 0 | 0 | 117 | | |
| 125 | E | 33 | Very low | 41.2 | Very low | 168 Ų | 168 | 128 Ų | 128 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | cis | 75.3 | 150.2 | 45.4 | -62.2 | -81.6 | 125.1 | 0 | 0 | 113.2 | | |
| 126 | P | 43.5 | Very low | 40.8 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 60% | 0.597 | 74% | 0.738 | S | S | * | * | | | cis | -140.2 | -154.1 | -43.4 | 38.2 | -19.1 | 0 | 0 | 0 | 111.5 | | |
| 127 | E | 36.6 | Very low | 40.6 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | 70.3 | 155.9 | 149.1 | -90.5 | -144.5 | 114.1 | 0 | 0 | 120.3 | | |
| 128 | S | 38.4 | Very low | 40.4 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | cis | -159.9 | 171.5 | -16.5 | -145.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 129 | G | 36.9 | Very low | 40.2 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | | | trans | 111 | 144.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 130 | K | 39.6 | Very low | 40.4 | Very low | 214 Ų | 214 | 135 Ų | 135 | 93% | 0.93 | 73% | 0.733 | S | S | * | * | | | cis | -137 | 155.3 | 12 | -68.6 | -173.5 | 177.4 | -176.3 | 0 | 114 | | |
| 131 | V | 38.1 | Very low | 40.2 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | | | trans | -88.9 | 157.1 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 132 | V | 39.9 | Very low | 41 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -175.6 | 121.3 | 140.2 | 140.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 133 | Q | 39.2 | Very low | 41.4 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | | 73.6 | 150.3 | 75.2 | -105.5 | 170.9 | -46.9 | 0 | 0 | 113.6 | | |
| 134 | E | 37.3 | Very low | 41.9 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | cis | -158.6 | 163.8 | 4 | -170.9 | 158.5 | -92.4 | 0 | 0 | 108.2 | | |
| 135 | G | 41.1 | Very low | 42.4 | Very low | 62 Ų | 62 | 131.7 Ų | 131.7 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | | | cis | 161.8 | -134.5 | -1.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 136 | F | 45.9 | Very low | 42.7 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | trans | 70 | 124.8 | 176.2 | -72.6 | -115.5 | 0 | 0 | 0 | 115.8 | | |
| 137 | L | 46.9 | Very low | 42.5 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | cis | -150.3 | -169.6 | 7.9 | -148.7 | 39.1 | 0 | 0 | 0 | 107.6 | | |
| 138 | R | 47.1 | Very low | 42.7 | Very low | 215 Ų | 215 | 131.3 Ų | 131.3 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | cis | -160.1 | 157.8 | 19.3 | 157.2 | 179.5 | 169 | 178.6 | -3.4 | 112.6 | | |
| 139 | E | 41.3 | Very low | 42.4 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | | | trans | -94.6 | 170.8 | 175.9 | -79.1 | -69.5 | 107.6 | 0 | 0 | 116.3 | | |
| 140 | P | 53.8 | Low | 42.4 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | cis | -128.3 | -167.4 | 14.3 | 46.8 | -30.9 | 0 | 0 | 0 | 114.4 | | |
| 141 | G | 38.9 | Very low | 42.4 | Very low | 61 Ų | 61 | 132.4 Ų | 132.4 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | | | cis | -177 | -172.1 | 8.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 142 | P | 54.1 | Low | 42.3 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | | | trans | -137.5 | -159.4 | -154.5 | 48.1 | -31.7 | 0 | 0 | 0 | 114.6 | | |
| 143 | P | 49.4 | Very low | 42.7 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | cis | -135.2 | 177.1 | -8.6 | 42.1 | -25.7 | 0 | 0 | 0 | 116.6 | | |
| 144 | G | 45.3 | Very low | 42.9 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | 171 | 84.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 145 | L | 44.3 | Very low | 42.9 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | trans | 55.6 | 150.7 | 145.7 | -49.9 | 178.4 | 0 | 0 | 0 | 123.5 | | |
| 146 | S | 39.3 | Very low | 42.8 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | | | cis | -172.1 | 155.9 | -40.2 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 147 | H | 38.7 | Very low | 42.5 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | | | trans | 55.9 | 127.3 | 156.6 | -47.8 | -49.6 | 0 | 0 | 0 | 121.2 | | |
| 148 | Q | 41.6 | Very low | 41.9 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | cis | -149.1 | 173.2 | 39.5 | -74 | -172.6 | 103.6 | 0 | 0 | 111.7 | | |
| 149 | L | 30.9 | Very low | 41.4 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | cis | 101.6 | 134.9 | 16.2 | -138.2 | 164.7 | 0 | 0 | 0 | 115.5 | | |
| 150 | M | 38.3 | Very low | 41.5 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | 80.2 | 107.4 | -178.5 | -57.8 | -164.8 | 70.9 | 0 | 0 | 117.2 | | |
| 151 | S | 39.3 | Very low | 40.5 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | | 79.2 | 134.8 | 101.7 | 74.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 152 | G | 35.4 | Very low | 40.3 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | | | cis | 95.5 | 97.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 153 | M | 48.1 | Very low | 39.8 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | | | trans | -172 | 158.9 | 143.9 | -94.4 | -44.9 | 95.6 | 0 | 0 | 111.8 | | |
| 154 | P | 44.7 | Very low | 39.1 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -116.3 | -178.3 | -170 | 43.5 | -34.4 | 0 | 0 | 0 | 114.6 | | |
| 155 | G | 37.1 | Very low | 38.5 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 174.6 | 112.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 156 | A | 37.6 | Very low | 38.1 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -98.1 | -172.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 157 | P | 40.7 | Very low | 37.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | -135.4 | -154.4 | -2.6 | 32.9 | -8.6 | 0 | 0 | 0 | 113 | | |
| 158 | L | 35.1 | Very low | 37.4 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | 108.7 | 126.7 | 153.6 | -57.5 | 175.3 | 0 | 0 | 0 | 119.2 | | |
| 159 | L | 35.5 | Very low | 37.1 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -65.6 | 168.3 | 152.4 | -62.6 | 174.6 | 0 | 0 | 0 | 109.6 | | |
| 160 | P | 43.2 | Very low | 37.7 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | cis | -152.3 | -171.4 | 31.4 | 45.4 | -24.1 | 0 | 0 | 0 | 118.2 | | |
| 161 | E | 32.4 | Very low | 37.5 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | 64.7 | 164.6 | 151.4 | -77.1 | 170.2 | 115.6 | 0 | 0 | 120.5 | | |
| 162 | G | 35.2 | Very low | 37.4 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -102.8 | -144.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 163 | P | 43.6 | Very low | 37.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | cis | -140.7 | 179.7 | 7.1 | 43.9 | -25.8 | 0 | 0 | 0 | 116.1 | | |
| 164 | R | 35.8 | Very low | 36.9 | Very low | 221 Ų | 221 | 128.4 Ų | 128.4 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | | | trans | 48 | 122.6 | 139.9 | -75.3 | 178.9 | -163.1 | -171.3 | 5.4 | 122.6 | | |
| 165 | E | 31.4 | Very low | 37.2 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | | 69.7 | 85.5 | 113.7 | -159.8 | 178.8 | -179.6 | 0 | 0 | 120.8 | | |
| 166 | A | 35.3 | Very low | 37.5 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -156.1 | 136.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 167 | T | 30.2 | Very low | 37.5 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | | | cis | 105.3 | 109.3 | 26.1 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 168 | R | 33.1 | Very low | 37.7 | Very low | 223 Ų | 223 | 136.7 Ų | 136.7 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | 73.4 | 135 | 166.9 | -69.2 | 164.6 | -169.1 | -87.2 | -3 | 114.9 | | |
| 169 | Q | 36.2 | Very low | 37.8 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | | | | 67.9 | 140.2 | 58.6 | -69.2 | -98.6 | -15.1 | 0 | 0 | 111.7 | | |
| 170 | P | 43.2 | Very low | 37.7 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | cis | -135.9 | -173 | 32.8 | 43 | -26.1 | 0 | 0 | 0 | 117 | | |
| 171 | S | 34.6 | Very low | 37.5 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -79.2 | 162.3 | 172.4 | 54 | 0 | 0 | 0 | 0 | 115.2 | | |
| 172 | G | 36.5 | Very low | 37.9 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | 95.5 | 160.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 173 | T | 38.1 | Very low | 38.1 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | | | cis | -150.2 | 154.3 | 0.9 | 46.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 174 | G | 35.6 | Very low | 37.9 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | | 144.1 | 169.5 | 108.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 175 | P | 51.6 | Low | 38.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -124.8 | -180 | -154.1 | 36.8 | -18.5 | 0 | 0 | 0 | 114.4 | | |
| 176 | E | 42.2 | Very low | 38.7 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | | 176 | 168.5 | 110.3 | -88.4 | -163.9 | 117.6 | 0 | 0 | 111.8 | | |
| 177 | D | 38.2 | Very low | 39 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -98.8 | -150.4 | -165.8 | -59.8 | -98.2 | 0 | 0 | 0 | 113.7 | | |
| 178 | T | 44.1 | Very low | 39.3 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | trans | 90.6 | 106.3 | -178.7 | -29.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 179 | E | 37.7 | Very low | 39.3 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | | | | 64.7 | 129.5 | 64.6 | -163 | -179 | 171.2 | 0 | 0 | 112.9 | | |
| 180 | G | 34.5 | Very low | 39.4 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | cis | 177.8 | 168.2 | -8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 181 | G | 39 | Very low | 39.1 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | 91.7 | 166.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 182 | R | 39.8 | Very low | 38.9 | Very low | 216 Ų | 216 | 134.7 Ų | 134.7 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | | | cis | -174.6 | 152.1 | -14.6 | -121.4 | -178.1 | -159.1 | -124.5 | 7.4 | 109 | | |
| 183 | H | 38.7 | Very low | 38.5 | Very low | 160 Ų | 160 | 139 Ų | 139 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 71.7 | 125.9 | 174.8 | -50.1 | -69.8 | 0 | 0 | 0 | 115.9 | | |
| 184 | A | 39.1 | Very low | 38.1 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | | | cis | 84.9 | 150.7 | 38 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 185 | P | 49.6 | Very low | 38 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | cis | -100.9 | 157.3 | 17.2 | 6.6 | 17.5 | 0 | 0 | 0 | 114.3 | | |
| 186 | E | 36.3 | Very low | 37 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | | 66.1 | 138.8 | 64.2 | -73.3 | -140.4 | 111.2 | 0 | 0 | 114.1 | | |
| 187 | L | 40.2 | Very low | 36.7 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | | -153 | 148.3 | 54.1 | -85.7 | 169.8 | 0 | 0 | 0 | 115.8 | | |
| 188 | L | 36.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 138 Ų | 138 | 52% | 0.524 | 74% | 0.743 | S | S | . | * | | | trans | 60 | 117.7 | 145.1 | -55 | 170.8 | 0 | 0 | 0 | 118.6 | | |
| 189 | K | 32.7 | Very low | 36.2 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 68% | 0.683 | 74% | 0.743 | S | S | * | * | | | | 61.8 | 141.2 | 81.8 | -59.6 | 173.4 | -152.7 | 152.6 | 0 | 112.2 | | |
| 190 | H | 39.7 | Very low | 35.8 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | cis | -142 | 169.1 | 34.4 | -71 | -102.4 | 0 | 0 | 0 | 113.7 | | |
| 191 | Q | 36.4 | Very low | 36.4 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | | | trans | -89.9 | 178 | 167.8 | -65.9 | 173.2 | -11.3 | 0 | 0 | 111.2 | | |
| 192 | L | 29.4 | Very low | 36.9 | Very low | 152 Ų | 152 | 138 Ų | 138 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | | | trans | 100.4 | 112.8 | 142.7 | -164.1 | 137.1 | 0 | 0 | 0 | 118.2 | | |
| 193 | L | 28.5 | Very low | 36.8 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | | | trans | 46.8 | 135.3 | 138.3 | -167.8 | 71.3 | 0 | 0 | 0 | 120.9 | | |
| 194 | G | 29.3 | Very low | 36.6 | Very low | 57 Ų | 57 | 137.6 Ų | 137.6 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | | | trans | 112.7 | 128.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 195 | D | 33.7 | Very low | 36.4 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | cis | 66.7 | 147.8 | 44.5 | -62.4 | -54.6 | 0 | 0 | 0 | 114 | | |
| 196 | L | 31.7 | Very low | 35.7 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | 69.5 | 134.3 | 177.9 | -85.8 | 54.6 | 0 | 0 | 0 | 115.5 | | |
| 197 | H | 35.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 133 Ų | 133 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | cis | -176.1 | 173.3 | -11.9 | -131.8 | -158 | 0 | 0 | 0 | 110.4 | | |
| 198 | Q | 34.4 | Very low | 34.9 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | 66 | 134.6 | 159.3 | -58.3 | -78.7 | 106.7 | 0 | 0 | 117 | | |
| 199 | E | 36.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | cis | -139.4 | 175.8 | -16.1 | -59.7 | -154.6 | 138.3 | 0 | 0 | 106.8 | | |
| 200 | G | 30.9 | Very low | 35 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | cis | 179.9 | 168 | 4.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 201 | P | 47.4 | Very low | 34.9 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -91.4 | -175.6 | -167.1 | -4 | 26.1 | 0 | 0 | 0 | 113.2 | | |
| 202 | P | 47.7 | Very low | 35.1 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | cis | -126.2 | 173.1 | 8.1 | 43.1 | -27.9 | 0 | 0 | 0 | 114.2 | | |
| 203 | L | 38.2 | Very low | 35.3 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | cis | 71.7 | 69 | 27.1 | -71.5 | -178.3 | 0 | 0 | 0 | 117.7 | | |
| 204 | K | 34.7 | Very low | 35.4 | Very low | 211 Ų | 211 | 130 Ų | 130 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | | | trans | 179.8 | 157.4 | 150.5 | -98.9 | 148.7 | -175.1 | 179.1 | 0 | 109.9 | | |
| 205 | G | 34 | Very low | 35.5 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | cis | -110.8 | 171.8 | -15.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 206 | A | 34.9 | Very low | 35.4 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | | | cis | 58.7 | 127.4 | 44.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 207 | G | 29.7 | Very low | 35.8 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | cis | 142.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 208 | G | 30.7 | Very low | 36.2 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | | | trans | 135.7 | 131.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 209 | K | 32.4 | Very low | 36.6 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | | | | 56.7 | 107.7 | 59.1 | -57.7 | 179.3 | 179.7 | -179.4 | 0 | 108.5 | | |
| 210 | E | 39.5 | Very low | 37.1 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | | -154.4 | 151.9 | 63.9 | -87.2 | 157.6 | 174.9 | 0 | 0 | 108.5 | | |
| 211 | R | 37.8 | Very low | 37.7 | Very low | 238 Ų | 238 | 133.7 Ų | 133.7 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | | | cis | 48.7 | 110 | 30.9 | -148.4 | -172.3 | -173 | 134 | 5.9 | 114 | | |
| 212 | P | 39.8 | Very low | 38 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | cis | -112.5 | -173.8 | 38.8 | 40.2 | -30.7 | 0 | 0 | 0 | 113 | | |
| 213 | G | 33.4 | Very low | 38 | Very low | 60 Ų | 60 | 138.1 Ų | 138.1 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | | | cis | -164.1 | 177.8 | 21.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 214 | S | 30.3 | Very low | 38.6 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | | 51.3 | 122.6 | 57.3 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 215 | K | 33.1 | Very low | 38.8 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | | | cis | -158.1 | 154.3 | 9.6 | -112.7 | 168.5 | 172.7 | -97.7 | 0 | 108 | | |
| 216 | E | 31.1 | Very low | 39.2 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | | | | 52.8 | 68.5 | 84.4 | -157.3 | -173.6 | -175.9 | 0 | 0 | 112.7 | V218 | E216-V218 HydrophobicContact CG-CG2 4.48Š|
| 217 | E | 39.9 | Very low | 39.7 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | | | trans | -113 | 115.9 | 150.2 | -68 | -178.7 | 144.6 | 0 | 0 | 105.2 | | |
| 218 | V | 44.8 | Very low | 40.5 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | | | cis | 70.4 | 107 | 45.9 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | E216 | E216-V218 HydrophobicContact CG-CG2 4.48Š|
| 219 | D | 41.1 | Very low | 41.3 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | | 61.7 | 133.4 | 89.3 | -121.6 | 7.5 | 0 | 0 | 0 | 110.8 | | |
| 220 | E | 48.6 | Very low | 41.6 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 61% | 0.607 | 73% | 0.734 | S | S | * | * | | | cis | -140.3 | 178 | 28.3 | -54.6 | 178.5 | 122 | 0 | 0 | 112.8 | R222 | E220-R222 IonicContact OE1-NH2 3.81Å; E220-R222 IonicContact OE2-CZ 2.85Å; E220-R222 VanDerWaalsContact OE2-CZ 3.25Å; E220-R222 IonicContact OE2-NH1 2.73Å; E220-R222 PolarHBondContact OE2-NH1 2.85Å; E220-R222 IonicContact OE2-NH2 2.78Å; E220-R222 PolarHBondContact OE2-NH2 2.78Å |
| 221 | D | 42.9 | Very low | 41.7 | Very low | 87 Ų | 87 | 137 Ų | 137 | 47% | 0.465 | 73% | 0.728 | S | S | . | * | | | trans | -59.3 | 149.5 | 154.9 | -54.1 | -80.5 | 0 | 0 | 0 | 111.9 | R364 | D221-R364 IonicContact OD1-CZ 3.25Å; D221-R364 IonicContact OD1-NH1 2.71Å; D221-R364 PolarHBondContact OD1-NH1 3.41Å; D221-R364 IonicContact OD1-NH2 2.84Å; D221-R364 PolarHBondContact OD1-NH2 2.87Å; D221-R364 IonicContact OD2-NH1 3.69Å |
| 222 | R | 54.1 | Low | 41.9 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | | | | -166 | 129.1 | 128.8 | -60.6 | -151 | 171.7 | 63.7 | 13.1 | 107.1 | E220 | E220-R222 IonicContact OE1-NH2 3.81Å; E220-R222 IonicContact OE2-CZ 2.85Å; E220-R222 VanDerWaalsContact OE2-CZ 3.25Å; E220-R222 IonicContact OE2-NH1 2.73Å; E220-R222 PolarHBondContact OE2-NH1 2.85Å; E220-R222 IonicContact OE2-NH2 2.78Å; E220-R222 PolarHBondContact OE2-NH2 2.78Å |
| 223 | D | 47.5 | Very low | 42.5 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | | 70 | 113.4 | 58.4 | -71.3 | -41.8 | 0 | 0 | 0 | 114.1 | | |
| 224 | V | 50.9 | Low | 43.3 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | | | trans | 59.7 | 161.1 | 162.4 | -106.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 225 | D | 37.9 | Very low | 43.8 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | | | cis | -154 | 176.2 | -5.9 | -150.7 | 168.2 | 0 | 0 | 0 | 111.7 | | |
| 226 | E | 42.4 | Very low | 44.1 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | | | trans | 46 | 132.3 | 140.9 | -106.2 | -161.1 | 53.3 | 0 | 0 | 124.9 | | |
| 227 | S | 45.6 | Very low | 44.5 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | | 107.4 | 142.4 | 121.9 | -92 | 0 | 0 | 0 | 0 | 123 | | |
| 228 | S | 46.4 | Very low | 44.5 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | trans | -94 | -179 | -178.9 | -43.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 229 | P | 48 | Very low | 44.8 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | | | | -126.1 | 153.6 | 91.6 | 1 | 21.9 | 0 | 0 | 0 | 113.3 | | |
| 230 | Q | 39.4 | Very low | 44.7 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | | | | 59.7 | 143 | 82 | -55.4 | -173.6 | -28.1 | 0 | 0 | 114.4 | | |
| 231 | D | 41.5 | Very low | 44.5 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | | | cis | -146.4 | 177.5 | 26.4 | -166.1 | 13.9 | 0 | 0 | 0 | 113.7 | | |
| 232 | S | 41.5 | Very low | 44.4 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | -99.5 | -143 | -177.3 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 233 | P | 51.7 | Low | 43.7 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | | | cis | -135.6 | -138.3 | -7.2 | 35.5 | -7.6 | 0 | 0 | 0 | 114.1 | | |
| 234 | P | 51.4 | Low | 43.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | | -143.3 | -172.4 | -101 | 47 | -28.2 | 0 | 0 | 0 | 119.2 | | |
| 235 | S | 39.5 | Very low | 43 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | trans | 95.5 | 144 | 132.7 | -84.7 | 0 | 0 | 0 | 0 | 125.3 | | |
| 236 | K | 41.2 | Very low | 43.4 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | trans | 78.1 | 145.9 | 152.9 | -69.3 | 153.3 | -173 | 174.9 | 0 | 118.1 | | |
| 237 | A | 39.4 | Very low | 43.3 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | cis | -159 | 143.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 238 | S | 38.9 | Very low | 42.9 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | | 67.6 | 152.2 | 72.6 | -40.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 239 | P | 50.7 | Low | 42.6 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | cis | -142.6 | -151.7 | -24.6 | 39 | -16.7 | 0 | 0 | 0 | 114 | | |
| 240 | A | 40.3 | Very low | 42.3 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | | | trans | 85.1 | 147.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 241 | Q | 43.9 | Very low | 42.4 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | cis | -163.2 | 155.7 | -7 | -118.8 | 173.1 | -90.4 | 0 | 0 | 113 | | |
| 242 | D | 39.9 | Very low | 42.1 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | 52.5 | 153.1 | 151.1 | -59.8 | -42.8 | 0 | 0 | 0 | 122.6 | | |
| 243 | G | 39.6 | Very low | 42 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | cis | -171 | 171.6 | 2.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 244 | R | 40.5 | Very low | 41.4 | Very low | 232 Ų | 232 | 127.5 Ų | 127.5 | 88% | 0.875 | 75% | 0.75 | S | S | * | * | | | trans | -87.2 | -162.2 | -178 | -125.6 | -178.4 | 156.2 | -150.5 | -0.7 | 111.1 | | |
| 245 | P | 42.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | cis | -136.4 | -177.1 | -9.5 | 26 | 0.7 | 0 | 0 | 0 | 117 | | |
| 246 | P | 47.3 | Very low | 40.9 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -116 | 179.8 | -174.5 | 43.2 | -34.9 | 0 | 0 | 0 | 116.7 | | |
| 247 | Q | 40.4 | Very low | 41.2 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -174.8 | 161 | 166.4 | -101.4 | 140.5 | 103.8 | 0 | 0 | 110.7 | | |
| 248 | T | 36.8 | Very low | 41.1 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | cis | -172.1 | 154.6 | -29.3 | 23 | 0 | 0 | 0 | 0 | 110.8 | | |
| 249 | A | 39.9 | Very low | 41.4 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | trans | 69.9 | 152.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 250 | A | 41.5 | Very low | 41.3 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | cis | -173 | 160.3 | -23.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 251 | R | 41.1 | Very low | 41.4 | Very low | 224 Ų | 224 | 130.1 Ų | 130.1 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | 73 | 156.7 | 155.2 | -72.5 | -174.1 | 147.7 | 136.5 | 1 | 121.2 | | |
| 252 | E | 36.3 | Very low | 41.2 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | cis | -175 | 135.5 | -20.8 | 179.6 | 169.8 | 140.4 | 0 | 0 | 113.1 | | |
| 253 | A | 39 | Very low | 41.2 | Very low | 86 Ų | 86 | 123 Ų | 123 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | 57.9 | 165.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 254 | T | 39.1 | Very low | 41.1 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | cis | -174.9 | 156.1 | -33.6 | -79.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 255 | S | 34.5 | Very low | 41.3 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | | | trans | 73.1 | 133.3 | 166.8 | 59.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 256 | I | 46.7 | Very low | 41.4 | Very low | 165 Ų | 165 | 121 Ų | 121 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | | | cis | 64.5 | 153.6 | 18.1 | 56.9 | 163.5 | 0 | 0 | 0 | 118.5 | | |
| 257 | P | 45.9 | Very low | 41.4 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | cis | -136.1 | -172 | -5.4 | 36.9 | -17.1 | 0 | 0 | 0 | 116.4 | | |
| 258 | G | 38.6 | Very low | 41.7 | Very low | 58 Ų | 58 | 120.6 Ų | 120.6 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | | | trans | 151.3 | 105.3 | 136.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 259 | F | 44.7 | Very low | 41.8 | Very low | 210 Ų | 210 | 120 Ų | 120 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | | | trans | 93.4 | 149.9 | 138.1 | -54.8 | -68.6 | 0 | 0 | 0 | 124.6 | | |
| 260 | P | 48.7 | Very low | 42.2 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | | | trans | -139.1 | -168.4 | -154.5 | 42.9 | -21 | 0 | 0 | 0 | 117.7 | P78 | P78-P260 HydrophobicContact CB-CG 4.45Å; P78-P260 HydrophobicContact CG-CG 4.26Å |
| 261 | A | 42.5 | Very low | 42.2 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | -158.9 | 168.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 262 | E | 39.2 | Very low | 42.5 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 44% | 0.435 | 74% | 0.735 | S | S | . | * | | | trans | -110.4 | -177.2 | -168.8 | -161.5 | -172.2 | 93 | 0 | 0 | 114.4 | A77 P78 L79 | A77-E262 HydrophobicContact CB-CG 4.35Å; A77-E262 WeakPolarHBondContact CB-OE2 3.2Å; P78-E262 HydrophobicContact CG-CB 4.07Å; P78-E262 VanDerWaalsContact N-OE2 3.08Å; L79-E262 PolarHBondContact N-OE2 2.8Å |
| 263 | G | 39.9 | Very low | 42.5 | Very low | 64 Ų | 64 | 120.4 Ų | 120.4 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | | | trans | 159.9 | 100.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 264 | A | 38.9 | Very low | 42.6 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | | | trans | 70.1 | 151.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 265 | I | 43.2 | Very low | 42.5 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | | | trans | -113.4 | 155.5 | 175.6 | -30.5 | 172 | 0 | 0 | 0 | 108.1 | | |
| 266 | P | 45.4 | Very low | 42.5 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | | | | -161.9 | 135 | 110.1 | 36.1 | -14.3 | 0 | 0 | 0 | 120.1 | | |
| 267 | L | 47 | Very low | 41.8 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | | 68.2 | -174 | 129.2 | -54.9 | 177 | 0 | 0 | 0 | 119.5 | | |
| 268 | P | 45.9 | Very low | 41.2 | Very low | 107 Ų | 107 | 123 Ų | 123 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | | -142.4 | 174.7 | -77.9 | 46 | -30.3 | 0 | 0 | 0 | 118.1 | | |
| 269 | V | 38.9 | Very low | 41.1 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | | | trans | 41.2 | 119.4 | 149.7 | -175.7 | 0 | 0 | 0 | 0 | 121.3 | F271 | V269-F271 HydrophobicContact CG1-CD2 3.69Å; V269-F271 HydrophobicContact CG1-CE2 4.05Å |
| 270 | D | 49.3 | Very low | 40.5 | Very low | 158 Ų | 158 | 119.1 Ų | 119.1 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | | | trans | -141.1 | 128.2 | 131.8 | -93.3 | -44.9 | 0 | 0 | 0 | 106.9 | | |
| 271 | F | 41.9 | Very low | 39.6 | Very low | 162 Ų | 162 | 115.8 Ų | 115.8 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | | | | 92.3 | 118.7 | 50 | -98.8 | -67.5 | 0 | 0 | 0 | 115.4 | V269 | V269-F271 HydrophobicContact CG1-CD2 3.69Å; V269-F271 HydrophobicContact CG1-CE2 4.05Å |
| 272 | L | 46.2 | Very low | 39 | Very low | 156 Ų | 156 | 113.9 Ų | 113.9 | 82% | 0.817 | 67% | 0.665 | S | S | * | * | | | trans | 73.2 | 145.4 | 164.7 | -53.1 | 177.9 | 0 | 0 | 0 | 118.3 | | |
| 273 | S | 37.6 | Very low | 38.7 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | | | cis | -172.3 | 163.7 | -22.8 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 274 | K | 41.3 | Very low | 38.7 | Very low | 189 Ų | 189 | 108.5 Ų | 108.5 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | | | trans | 96.9 | 145.2 | 156.1 | -53.1 | 176.9 | -175.1 | 175.2 | 0 | 120 | | |
| 275 | V | 35.8 | Very low | 38.3 | Very low | 131 Ų | 131 | 107.2 Ų | 107.2 | 79% | 0.794 | 60% | 0.603 | S | S | * | * | | | trans | 75.8 | 83 | 165.1 | -156.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 276 | S | 35.3 | Very low | 37.7 | Very low | 97 Ų | 97 | 101 Ų | 101 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | | | | 23.9 | 126.6 | 119.3 | -47.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 277 | T | 31.7 | Very low | 37.4 | Very low | 119 Ų | 119 | 100.8 Ų | 100.8 | 73% | 0.73 | 58% | 0.576 | S | S | * | * | | | | 69.6 | 127.2 | 85.1 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 278 | E | 32.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 97.4 Ų | 97.4 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | | | cis | -143.5 | 139.2 | 16.1 | -122.5 | 147 | 156.6 | 0 | 0 | 109.3 | N621 | E278-N621 HydrophobicContact CG-CB 4.18Å; E278-N621 VanDerWaalsContact OE1-CB 3.27Å; E278-N621 WeakPolarHBondContact OE1-CB 3.09Å; E278-N621 PolarHBondContact OE1-ND2 2.67Å; E278-N621 PolarHBondContact OE2-ND2 3.48Å |
| 279 | I | 36.6 | Very low | 36.2 | Very low | 76 Ų | 76 | 99 Ų | 99 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | | | | 57.4 | 114.8 | 101.9 | -59 | -173.7 | 0 | 0 | 0 | 115.2 | N621 Q623 | I279-N621 WeakPolarHBondContact CD1-O 3.14Å; I279-N621 HydrophobicContact CG2-CB 4.42Å; I279-Q623 HydrophobicContact CG2-CB 3.58Å |
| 280 | P | 32.2 | Very low | 36 | Very low | 111 Ų | 111 | 97.2 Ų | 97.2 | 72% | 0.721 | 58% | 0.577 | S | S | * | * | | | | -146 | 164.6 | 99.8 | 40.1 | -26.2 | 0 | 0 | 0 | 115.4 | Q623 | P280-Q623 VanDerWaalsContact C-CD 3.44Å; P280-Q623 PolarHBondContact O-NE2 3.24Å |
| 281 | A | 29.7 | Very low | 35.3 | Very low | 35 Ų | 35 | 101.3 Ų | 101.3 | 29% | 0.289 | 58% | 0.581 | S | S | . | * | | | trans | -153 | 143.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q623 | A281-Q623 HydrophobicContact CB-CB 4.15Å; A281-Q623 HydrophobicContact CB-CG 3.48Å; A281-Q623 VanDerWaalsContact CB-CG 3.48Å |
| 282 | S | 31.1 | Very low | 35 | Very low | 46 Ų | 46 | 97.8 Ų | 97.8 | 32% | 0.322 | 58% | 0.582 | S | S | . | * | | | trans | -12.3 | 137 | 133.2 | 52.1 | 0 | 0 | 0 | 0 | 116.7 | S624 | S282-S624 WeakPolarHBondContact O-CB 3.48Å; S282-S624 PolarHBondContact O-OG 2.99Å |
| 283 | E | 32.7 | Very low | 34.5 | Very low | 30 Ų | 30 | 99.2 Ų | 99.2 | 14% | 0.14 | 58% | 0.582 | C | S | . | * | | | | 32.9 | 139.4 | 113.3 | -67.4 | -71.7 | 110.3 | 0 | 0 | 119 | R5 E7 S624 | R5-E283 WeakPolarHBondContact CB-OE2 3.18Å; R5-E283 VanDerWaalsContact CD-CD 3.47Å; R5-E283 WeakPolarHBondContact CD-OE1 3.49Å; R5-E283 WeakPolarHBondContact CD-OE2 3.39Å; R5-E283 IonicContact CZ-OE1 3.93Å; R5-E283 IonicContact NE-OE1 2.74Å; R5-E283 IonicContact NH2-OE1 2.72Å; R5-E283 PolarHBondContact NH2-OE1 3.42Å; E7-E283 HydrophobicContact CB-CG 3.95Å; E7-E283 HydrophobicContact CG-CG 4.31Å; E7-E283 WeakPolarHBondContact OE1-CG 3.28Å; E283-S624 PolarHBondContact O-OG 3.07Å; E283-S624 VanDerWaalsContact O-OG 3.07Å |
| 284 | P | 40.8 | Very low | 34.4 | Very low | 15 Ų | 15 | 97.8 Ų | 97.8 | 10% | 0.097 | 58% | 0.581 | C | S | . | * | | | cis | -75.4 | -158.2 | 2.4 | -23 | 42.2 | 0 | 0 | 0 | 114.7 | R5 C626 | R5-P284 HydrophobicContact CB-CB 3.62Å; R5-P284 PolarHBondContact NH2-O 2.79Å; P284-C626 VanDerWaalsContact CD-SG 3.58Å; P284-C626 HydrophobicContact CG-CB 4.26Å |
| 285 | D | 29 | Very low | 34 | Very low | 75 Ų | 75 | 97.5 Ų | 97.5 | 40% | 0.401 | 58% | 0.583 | S | S | . | * | | | cis | -147.9 | 142.2 | 43.8 | -58.1 | -34 | 0 | 0 | 0 | 114 | E3 R5 | E3-D285 HydrophobicContact CB-CB 4Å; E3-D285 CarbonylContact O-C 3.58Å; E3-D285 WeakPolarHBondContact O-CA 3.24Å; E3-D285 WeakPolarHBondContact O-CB 3.26Å; R5-D285 VanDerWaalsContact NE-C 3.3Å; R5-D285 VanDerWaalsContact NE-N 3.17Å; R5-D285 PolarHBondContact NE-O 3.11Å; R5-D285 PolarHBondContact NH1-O 2.94Å |
| 286 | G | 31.7 | Very low | 33.9 | Very low | 28 Ų | 28 | 98.9 Ų | 98.9 | 29% | 0.289 | 59% | 0.586 | S | S | . | * | | | trans | -95.7 | -123.5 | -174 | 0 | 0 | 0 | 0 | 0 | 119.9 | E3 P4 | E3-G286 WeakPolarHBondContact CB-O 3.34Å; E3-G286 WeakPolarHBondContact CG-O 2.8Å; E3-G286 PolarHBondContact O-N 3.02Å; E3-G286 VanDerWaalsContact O-N 3.09Å; P4-G286 WeakPolarHBondContact O-CA 3.44Å |
| 287 | P | 38.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 98.3 Ų | 98.3 | 69% | 0.688 | 59% | 0.587 | S | S | * | * | | | trans | -141.4 | 148.3 | -172.2 | 41.3 | -24 | 0 | 0 | 0 | 120.2 | P4 | P4-P287 WeakPolarHBondContact O-CD 3.06Š|
| 288 | S | 32.1 | Very low | 33.9 | Very low | 88 Ų | 88 | 98.3 Ų | 98.3 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | | | trans | -166.6 | 136.9 | 157.2 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 289 | V | 35.8 | Very low | 34 | Very low | 140 Ų | 140 | 101.3 Ų | 101.3 | 85% | 0.848 | 61% | 0.608 | S | S | * | * | | | cis | -153.6 | 147.1 | -8.8 | 126.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 290 | G | 33.4 | Very low | 33.9 | Very low | 72 Ų | 72 | 106.8 Ų | 106.8 | 74% | 0.742 | 63% | 0.632 | S | S | * | * | | | trans | 101 | 144.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 291 | R | 34.8 | Very low | 33.7 | Very low | 244 Ų | 244 | 111.3 Ų | 111.3 | 92% | 0.921 | 64% | 0.64 | S | S | * | * | | | cis | -164.6 | 127.2 | -2.5 | 179.3 | -178.5 | -176 | -174.7 | 3.7 | 112.4 | | |
| 292 | A | 35.9 | Very low | 34 | Very low | 88 Ų | 88 | 112.7 Ų | 112.7 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | | | trans | 29.9 | 151.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 293 | K | 35.7 | Very low | 33.8 | Very low | 186 Ų | 186 | 115.4 Ų | 115.4 | 81% | 0.809 | 65% | 0.652 | S | S | * | * | | | cis | -141.9 | 163.9 | 23.1 | -59.9 | 177.7 | 171 | -172.9 | 0 | 110.3 | | |
| 294 | G | 35.6 | Very low | 33.6 | Very low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | | | cis | 95.5 | 146.3 | 13.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 295 | Q | 33.7 | Very low | 33 | Very low | 183 Ų | 183 | 124.3 Ų | 124.3 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | | | cis | -157.5 | 166.9 | -0.1 | -82.2 | 142.4 | -96.7 | 0 | 0 | 108.2 | | |
| 296 | D | 32.9 | Very low | 32.9 | Very low | 160 Ų | 160 | 125 Ų | 125 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | | | trans | -142.2 | 151.9 | 158.5 | -167.7 | 25.5 | 0 | 0 | 0 | 112 | | |
| 297 | A | 35.6 | Very low | 32.8 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 56.2 | 145.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 298 | P | 32.2 | Very low | 32.7 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | | | trans | -110.7 | 146.2 | -166 | 39.2 | -29.8 | 0 | 0 | 0 | 115.4 | | |
| 299 | L | 34.3 | Very low | 32.8 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 93% | 0.932 | 71% | 0.706 | S | S | * | * | | | trans | -123.6 | 109.8 | 158.4 | -76.1 | 168.9 | 0 | 0 | 0 | 107.9 | | |
| 300 | E | 33.3 | Very low | 32.5 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | | | trans | -80 | 128.8 | 172.4 | -76.3 | -164 | 128.9 | 0 | 0 | 110.4 | | |
| 301 | F | 29.1 | Very low | 32.7 | Very low | 206 Ų | 206 | 130.1 Ų | 130.1 | 90% | 0.904 | 70% | 0.698 | S | S | * | * | | | trans | -104.5 | 113 | -178.9 | -144.8 | -90.6 | 0 | 0 | 0 | 108.2 | | |
| 302 | T | 34.6 | Very low | 32.7 | Very low | 64 Ų | 64 | 127.2 Ų | 127.2 | 39% | 0.393 | 69% | 0.694 | S | S | . | * | | | trans | -149.5 | 79.2 | 178.3 | -49.7 | 0 | 0 | 0 | 0 | 112.1 | K366 | T302-K366 HydrophobicContact CG2-CD 3.73Å; T302-K366 HydrophobicContact CG2-CG 3.99Å; T302-K366 WeakPolarHBondContact O-CE 3Å; T302-K366 PolarHBondContact O-NZ 2.71Å |
| 303 | F | 28.7 | Very low | 32.6 | Very low | 104 Ų | 104 | 130 Ų | 130 | 46% | 0.456 | 69% | 0.69 | S | S | . | * | | | trans | 47.3 | 155.2 | 145.9 | 70.2 | -124.5 | 0 | 0 | 0 | 124.1 | G365 K366 | F303-G365 WeakPolarHBondContact CE2-O 3.31Å; F303-G365 WeakPolarHBondContact CZ-O 3.21Å; F303-K366 PolarHBondContact O-NZ 2.92Å |
| 304 | H | 28.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 59% | 0.593 | 68% | 0.684 | S | S | * | * | | | trans | 64.3 | 116 | 166.3 | -52.8 | -39.8 | 0 | 0 | 0 | 116.9 | P363 | H304-P363 HydrophobicContact CB-CB 4.45Å; H304-P363 HydrophobicContact CB-CG 3.73Å |
| 305 | V | 27.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 62% | 0.624 | 69% | 0.688 | S | S | * | * | | | | 78.8 | 97 | 51.4 | 174 | 0 | 0 | 0 | 0 | 110.6 | P363 | V305-P363 WeakPolarHBondContact O-CD 3.38Å; V305-P363 WeakPolarHBondContact O-CG 3.46Å |
| 306 | E | 26.4 | Very low | 31.8 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 43% | 0.425 | 68% | 0.68 | S | S | . | * | | | | -167.9 | 152.2 | 99.3 | -122.7 | 163 | 137.6 | 0 | 0 | 115.6 | A361 A362 | E306-A361 VanDerWaalsContact CD-C 3.42Å; E306-A361 VanDerWaalsContact OE1-C 3.25Å; E306-A361 WeakPolarHBondContact OE1-CA 3.19Å; E306-A361 PolarHBondContact OE1-N 2.73Å; E306-A361 VanDerWaalsContact OE1-N 3.11Å; E306-A362 WeakPolarHBondContact OE2-CA 3.25Å; E306-A362 PolarHBondContact OE2-N 3.12Å |
| 307 | I | 30.3 | Very low | 31.6 | Very low | 81 Ų | 81 | 127.7 Ų | 127.7 | 42% | 0.415 | 67% | 0.674 | S | S | . | * | | | trans | 27.2 | 122 | 150.9 | -68.6 | 159.5 | 0 | 0 | 0 | 120.7 | A360 | I307-A360 HydrophobicContact CD1-CB 3.72Å; I307-A360 WeakPolarHBondContact CD1-O 3.34Å |
| 308 | T | 36.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | | | trans | -78 | 127.1 | 158.8 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 309 | P | 34.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | | | trans | -85.5 | 128.8 | 149.1 | 32.9 | -29.4 | 0 | 0 | 0 | 109.7 | V311 | P309-V311 HydrophobicContact CB-CG2 3.92Å; P309-V311 HydrophobicContact CG-CG2 4.1Å; P309-V311 PolarHBondContact O-N 3.21Å; P309-V311 VanDerWaalsContact O-N 3.17Å |
| 310 | N | 30.7 | Very low | 31.6 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | | | trans | -73 | 103.2 | 167.9 | 173.5 | 33.7 | 0 | 0 | 0 | 109.1 | | |
| 311 | V | 36.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | | | trans | -113 | 79.9 | -178.8 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | P309 K313 | P309-V311 HydrophobicContact CB-CG2 3.92Å; P309-V311 HydrophobicContact CG-CG2 4.1Å; P309-V311 PolarHBondContact O-N 3.21Å; P309-V311 VanDerWaalsContact O-N 3.17Å; V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CB 3.97Å; V311-K313 PolarHBondContact O-N 3.44Å; V311-K313 VanDerWaalsContact O-N 3.1Å |
| 312 | Q | 34.6 | Very low | 32 | Very low | 183 Ų | 183 | 118.7 Ų | 118.7 | 86% | 0.855 | 62% | 0.619 | S | S | * | * | | | trans | -73.6 | 88.8 | 153.2 | -71 | -164.5 | 9.4 | 0 | 0 | 107.8 | E314 | Q312-E314 PolarHBondContact O-N 2.84Š|
| 313 | K | 34.9 | Very low | 32.1 | Very low | 147 Ų | 147 | 117.3 Ų | 117.3 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | | | trans | -75.6 | 114.1 | 179.3 | -164.9 | -173 | -174.5 | -163.7 | 0 | 110.5 | V311 Q315 | V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CB 3.97Å; V311-K313 PolarHBondContact O-N 3.44Å; V311-K313 VanDerWaalsContact O-N 3.1Å; K313-Q315 PolarHBondContact O-N 3.35Å; K313-Q315 VanDerWaalsContact O-N 3.17Å |
| 314 | E | 27.9 | Very low | 32.5 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | | | trans | -60.3 | 110.8 | 162.9 | -174.7 | -172.4 | 172.5 | 0 | 0 | 110.5 | Q312 H317 | Q312-E314 PolarHBondContact O-N 2.84Å; E314-H317 IonicContact OE1-CD2 2.66Å; E314-H317 IonicContact OE1-CE1 2.67Å; E314-H317 IonicContact OE1-NE2 2.66Å; E314-H317 PolarHBondContact OE1-NE2 2.71Å |
| 315 | Q | 28.5 | Very low | 32.9 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | | | trans | -164.9 | 136.5 | 157.5 | -111.8 | 173.9 | -29.2 | 0 | 0 | 108 | K313 | K313-Q315 PolarHBondContact O-N 3.35Å; K313-Q315 VanDerWaalsContact O-N 3.17Å |
| 316 | A | 32.3 | Very low | 33.5 | Very low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | | | cis | -125.6 | 145.3 | 14.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 317 | H | 28.7 | Very low | 34.2 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 74% | 0.741 | 66% | 0.66 | S | S | * | * | | | trans | -75.3 | 128.6 | 152.3 | -71.5 | -105.8 | 0 | 0 | 0 | 108.7 | E314 | E314-H317 IonicContact OE1-CD2 2.66Å; E314-H317 IonicContact OE1-CE1 2.67Å; E314-H317 IonicContact OE1-NE2 2.66Å; E314-H317 PolarHBondContact OE1-NE2 2.71Å |
| 318 | S | 34.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | | | trans | -156.3 | 71.7 | 163.3 | 66.1 | 0 | 0 | 0 | 0 | 112 | | |
| 319 | E | 31.6 | Very low | 35 | Very low | 185 Ų | 185 | 124.8 Ų | 124.8 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | | | trans | 64.8 | 159.8 | 144.9 | -60.3 | 178.1 | 96.7 | 0 | 0 | 120.9 | | |
| 320 | E | 34.5 | Very low | 35.3 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 54% | 0.542 | 69% | 0.69 | S | S | . | * | | | trans | 56.3 | 120.9 | 178.9 | -48.4 | -150 | 91.2 | 0 | 0 | 116.5 | S659 | E320-S659 WeakPolarHBondContact OE1-CB 3.32Å; E320-S659 PolarHBondContact OE1-OG 2.74Å |
| 321 | H | 31.9 | Very low | 36.1 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 32% | 0.319 | 69% | 0.692 | S | S | . | * | | | | -168.5 | 175.5 | 50.5 | -60.9 | 85.7 | 0 | 0 | 0 | 112.1 | S659 L660 G661 N662 | H321-S659 CarbonylContact C-O 3.56Å; H321-S659 WeakPolarHBondContact CA-O 3.25Å; H321-S659 WeakPolarHBondContact CB-O 3.32Å; H321-L660 HydrophobicContact CB-CD2 3.98Å; H321-L660 HydrophobicContact CB-CG 4.35Å; H321-G661 PolarHBondContact CD2-N 2.72Å; H321-N662 PolarHBondContact CD2-N 2.87Å; H321-N662 WeakPolarHBondContact NE2-CB 3.33Å; H321-N662 PolarHBondContact NE2-N 3.47Å; H321-N662 PolarHBondContact NE2-ND2 3.28Å |
| 322 | L | 40.3 | Very low | 36.4 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 63% | 0.628 | 70% | 0.697 | S | S | * | * | | | trans | -153.8 | 119.2 | 166.6 | -158.3 | -66.2 | 0 | 0 | 0 | 114.8 | S659 | L322-S659 PolarHBondContact N-O 3.09Š|
| 323 | G | 35.5 | Very low | 36.8 | Very low | 35 Ų | 35 | 123.1 Ų | 123.1 | 36% | 0.361 | 70% | 0.701 | S | S | . | * | | | trans | -177.9 | 136.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L660 | G323-L660 WeakPolarHBondContact O-CD1 3.26Š|
| 324 | R | 37.6 | Very low | 36.8 | Very low | 240 Ų | 240 | 119.4 Ų | 119.4 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | | | | 69.8 | 121.7 | 53.6 | -164.7 | 172.5 | -166 | -98.2 | 0.2 | 110 | | |
| 325 | A | 37.3 | Very low | 37.6 | Very low | 79 Ų | 79 | 118.3 Ų | 118.3 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | | | cis | -160.6 | -179.7 | 30.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 326 | A | 38.7 | Very low | 37.9 | Very low | 72 Ų | 72 | 119.7 Ų | 119.7 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | | | cis | -178.3 | -164.9 | -17.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 327 | F | 42.6 | Very low | 38.2 | Very low | 189 Ų | 189 | 119.7 Ų | 119.7 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | | | trans | 102.6 | 154.9 | 157 | -51.3 | -63.1 | 0 | 0 | 0 | 116.8 | | |
| 328 | P | 44.9 | Very low | 38.5 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | | -133.7 | -168.8 | -86.9 | 32.7 | -9.9 | 0 | 0 | 0 | 114.9 | | |
| 329 | G | 36.7 | Very low | 38.6 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | trans | -74.3 | -162.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 330 | A | 41.4 | Very low | 39.2 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | | | cis | -160.3 | -145.7 | 12.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 331 | P | 48 | Very low | 39.4 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | | | cis | -136.5 | 177.9 | -19.6 | 41.9 | -24.6 | 0 | 0 | 0 | 116 | | |
| 332 | G | 43 | Very low | 39.7 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | trans | 87.2 | 158 | 151 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 333 | E | 41.3 | Very low | 39.7 | Very low | 201 Ų | 201 | 119.8 Ų | 119.8 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | | | cis | -148.6 | 167.6 | -9 | -61.3 | -165.8 | 136.8 | 0 | 0 | 110.4 | | |
| 334 | G | 36.4 | Very low | 40 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -97.4 | -156.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 335 | P | 43.6 | Very low | 40.3 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | cis | -143.9 | 179.4 | 9.5 | 44 | -24.7 | 0 | 0 | 0 | 118.1 | | |
| 336 | E | 35.7 | Very low | 40.4 | Very low | 184 Ų | 184 | 122.5 Ų | 122.5 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | 38.7 | 119.3 | 148 | -72.3 | -165.4 | 86.5 | 0 | 0 | 126.3 | | |
| 337 | A | 37.1 | Very low | 40.5 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | | | | 68.4 | 107.4 | 119.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 338 | R | 36.4 | Very low | 40.4 | Very low | 254 Ų | 254 | 124.7 Ų | 124.7 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | | | | 177.1 | 158.4 | 118.3 | -94.8 | 167.1 | -179.5 | -151.4 | -1.3 | 111.7 | | |
| 339 | G | 35.4 | Very low | 40.1 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | -90.6 | -163 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 340 | P | 44 | Very low | 40.1 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | cis | -145.5 | 171.7 | 17.6 | 44.8 | -25.9 | 0 | 0 | 0 | 119.2 | | |
| 341 | S | 38.9 | Very low | 40.2 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | 43.5 | 136.5 | 141.1 | 67.6 | 0 | 0 | 0 | 0 | 127 | | |
| 342 | L | 39.6 | Very low | 40.1 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | | | trans | 88.3 | 126.1 | 136 | -86.5 | 161.1 | 0 | 0 | 0 | 123 | | |
| 343 | G | 40.6 | Very low | 39.9 | Very low | 60 Ų | 60 | 130.9 Ų | 130.9 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | | | trans | 91.2 | 96.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 344 | E | 41.3 | Very low | 39.8 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | cis | 67 | 134.6 | 36.7 | -55.7 | 105.2 | -130.1 | 0 | 0 | 114.7 | | |
| 345 | D | 42.5 | Very low | 39.9 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | cis | -165.6 | 170 | -10.3 | 171.1 | 51.4 | 0 | 0 | 0 | 109.6 | | |
| 346 | T | 40.5 | Very low | 39.4 | Very low | 115 Ų | 115 | 126 Ų | 126 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | trans | 177.3 | 102.1 | 145.1 | -67.2 | 0 | 0 | 0 | 0 | 115 | | |
| 347 | K | 41.4 | Very low | 39.4 | Very low | 149 Ų | 149 | 125 Ų | 125 | 65% | 0.648 | 70% | 0.701 | S | S | * | * | | | trans | 66.6 | 146.7 | 144.6 | -58 | 179.4 | 156.1 | -70.7 | 0 | 123.4 | | |
| 348 | E | 39.8 | Very low | 39.4 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | cis | -179 | 167.8 | -10.1 | -97.9 | 149.4 | -175 | 0 | 0 | 108.5 | | |
| 349 | A | 38.5 | Very low | 39.5 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | | | cis | -166.2 | -174.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 350 | D | 37 | Very low | 39.7 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | | | trans | -157.8 | 171 | -168.8 | -176.8 | 37.5 | 0 | 0 | 0 | 118.7 | | |
| 351 | L | 43.8 | Very low | 39.5 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 85% | 0.853 | 68% | 0.679 | S | S | * | * | | | trans | 169.1 | 0 | 158.2 | -91.2 | 168.5 | 0 | 0 | 0 | 119.7 | | |
| 352 | P | 44.4 | Very low | 39.5 | Very low | 56 Ų | 56 | 119 Ų | 119 | 36% | 0.364 | 68% | 0.68 | S | S | . | * | | | | 0 | -145.7 | 0 | 46.4 | -36.5 | 0 | 0 | 0 | 122.6 | Q642 | P352-Q642 PolarHBondContact O-NE2 3.1Š|
| 353 | E | 38.8 | Very low | 39.7 | Very low | 149 Ų | 149 | 115.6 Ų | 115.6 | 70% | 0.696 | 67% | 0.667 | S | S | * | * | | | trans | -129.5 | 0 | -148.4 | -45.4 | -177.2 | 86.6 | 0 | 0 | 122.2 | Q642 | E353-Q642 VanDerWaalsContact CA-NE2 3.33Å; E353-Q642 VanDerWaalsContact O-CG 3.22Å; E353-Q642 WeakPolarHBondContact O-CG 3.34Å; E353-Q642 PolarHBondContact O-NE2 3.32Å |
| 354 | P | 40.8 | Very low | 40 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 60% | 0.597 | 68% | 0.675 | S | S | * | * | | | | 0 | -145.7 | 0 | 44.6 | -17.8 | 0 | 0 | 0 | 124.2 | I643 | P354-I643 CarbonylContact C-O 3.5Å; P354-I643 VanDerWaalsContact CA-O 3.31Å; P354-I643 WeakPolarHBondContact CA-O 3.5Å; P354-I643 VanDerWaalsContact O-O 3.13Å |
| 355 | S | 37.4 | Very low | 40.1 | Very low | 61 Ų | 61 | 117.4 Ų | 117.4 | 43% | 0.427 | 66% | 0.663 | S | S | . | * | | | trans | -126.3 | -175.6 | -146.6 | -29.6 | 0 | 0 | 0 | 0 | 118.6 | V641 I643 | S355-V641 PolarHBondContact OG-O 3.17Å; S355-I643 WeakPolarHBondContact OG-CG1 3.39Å; S355-I643 PolarHBondContact OG-N 3.11Å |
| 356 | E | 33.1 | Very low | 40.6 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | | | cis | -166.5 | -163.4 | -8.2 | -152.5 | -163.7 | 174.1 | 0 | 0 | 110.7 | I643 | E356-I643 HydrophobicContact CB-CD1 4.21Å; E356-I643 HydrophobicContact CG-CD1 3.8Å |
| 357 | K | 36.3 | Very low | 41.2 | Very low | 161 Ų | 161 | 117.8 Ų | 117.8 | 70% | 0.7 | 66% | 0.661 | S | S | * | * | | | cis | -175.1 | 155.3 | 0.7 | -163.7 | -179.2 | -151.2 | 75.7 | 0 | 114.2 | | |
| 358 | Q | 36.8 | Very low | 41.8 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | | | trans | -154.2 | -109.4 | 159.6 | -129.1 | -167.8 | 16.5 | 0 | 0 | 127.7 | | |
| 359 | P | 39.4 | Very low | 42.5 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | | | | -128.3 | -172.4 | -123.6 | 42.8 | -26.7 | 0 | 0 | 0 | 123.6 | | |
| 360 | A | 38.5 | Very low | 43.5 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 57% | 0.57 | 68% | 0.677 | S | S | * | * | | | trans | -156.3 | -165.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | I307 | I307-A360 HydrophobicContact CD1-CB 3.72Å; I307-A360 WeakPolarHBondContact CD1-O 3.34Å |
| 361 | A | 39.5 | Very low | 44 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | | | trans | -174.2 | 169.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E306 | E306-A361 VanDerWaalsContact CD-C 3.42Å; E306-A361 VanDerWaalsContact OE1-C 3.25Å; E306-A361 WeakPolarHBondContact OE1-CA 3.19Å; E306-A361 PolarHBondContact OE1-N 2.73Å; E306-A361 VanDerWaalsContact OE1-N 3.11Å |
| 362 | A | 40.1 | Very low | 44.2 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | | | cis | -164 | 156.4 | -16.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E306 | E306-A362 WeakPolarHBondContact OE2-CA 3.25Å; E306-A362 PolarHBondContact OE2-N 3.12Å |
| 363 | P | 42.5 | Very low | 44.2 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 52% | 0.519 | 70% | 0.696 | S | S | . | * | | | trans | -137.1 | -176.3 | -172.1 | 42.3 | -25.5 | 0 | 0 | 0 | 122.5 | H304 V305 | H304-P363 HydrophobicContact CB-CB 4.45Å; H304-P363 HydrophobicContact CB-CG 3.73Å; V305-P363 WeakPolarHBondContact O-CD 3.38Å; V305-P363 WeakPolarHBondContact O-CG 3.46Å |
| 364 | R | 47.7 | Very low | 44.3 | Very low | 207 Ų | 207 | 124.9 Ų | 124.9 | 78% | 0.781 | 70% | 0.697 | S | S | * | * | | | trans | -154.7 | 154.1 | -171.4 | -163.9 | -164.4 | -84.5 | -145 | 3 | 119.3 | D221 | D221-R364 IonicContact OD1-CZ 3.25Å; D221-R364 IonicContact OD1-NH1 2.71Å; D221-R364 PolarHBondContact OD1-NH1 3.41Å; D221-R364 IonicContact OD1-NH2 2.84Å; D221-R364 PolarHBondContact OD1-NH2 2.87Å; D221-R364 IonicContact OD2-NH1 3.69Å |
| 365 | G | 42.8 | Very low | 44.2 | Very low | 46 Ų | 46 | 129.4 Ų | 129.4 | 47% | 0.474 | 71% | 0.708 | S | S | . | * | | | trans | 114.9 | 132.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 124.5 | F303 | F303-G365 WeakPolarHBondContact CE2-O 3.31Å; F303-G365 WeakPolarHBondContact CZ-O 3.21Å |
| 366 | K | 53.9 | Low | 44.2 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 61% | 0.613 | 73% | 0.726 | S | S | * | * | | | trans | -163.3 | 0 | -176.9 | -45.8 | -178.3 | -171.2 | -178.4 | 0 | 112.1 | T302 F303 | T302-K366 HydrophobicContact CG2-CD 3.73Å; T302-K366 HydrophobicContact CG2-CG 3.99Å; T302-K366 WeakPolarHBondContact O-CE 3Å; T302-K366 PolarHBondContact O-NZ 2.71Å; F303-K366 PolarHBondContact O-NZ 2.92Å |
| 367 | P | 52.2 | Low | 44.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | | | | 0 | 0 | 0 | 44 | -20.6 | 0 | 0 | 0 | 117.5 | | |
| 368 | V | 53.8 | Low | 44.7 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | | 0 | 144.5 | 0 | 176.9 | 0 | 0 | 0 | 0 | 123.7 | | |
| 369 | S | 55.3 | Low | 44.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | | | trans | -170.7 | 172.7 | 165.7 | 73 | 0 | 0 | 0 | 0 | 121.1 | | |
| 370 | R | 58.5 | Low | 45.2 | Very low | 250 Ų | 250 | 135.4 Ų | 135.4 | 94% | 0.943 | 75% | 0.751 | S | S | * | * | | | trans | -151.3 | 121.1 | 165.4 | -86 | -166.6 | -177.3 | -164.9 | -1.1 | 118.8 | | |
| 371 | V | 48.2 | Very low | 45.5 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | | | trans | -138.6 | -98.2 | 179.6 | -144.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 372 | P | 49 | Very low | 45.8 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | | | | -129 | 173.5 | -127.4 | 39.6 | -22.8 | 0 | 0 | 0 | 121.6 | | |
| 373 | Q | 43.6 | Very low | 46.4 | Very low | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | 176.6 | 175.3 | 171.1 | -101.8 | 153.3 | 100.4 | 0 | 0 | 114.1 | | |
| 374 | L | 40.8 | Very low | 46.5 | Very low | 137 Ų | 137 | 151 Ų | 151 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | cis | -168.8 | 172.7 | -36.4 | -120.1 | -171.5 | 0 | 0 | 0 | 114.7 | | |
| 375 | K | 39 | Very low | 46.5 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | 89.6 | 150.8 | 159.7 | -109.5 | 71.9 | 177.5 | -174 | 0 | 123.4 | | |
| 376 | A | 36.6 | Very low | 46.6 | Very low | 99 Ų | 99 | 149 Ų | 149 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -166.3 | 175.9 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 377 | R | 41.1 | Very low | 46.2 | Very low | 241 Ų | 241 | 145.1 Ų | 145.1 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | 162.8 | 98.3 | 140.2 | -175.3 | 175.6 | -176.3 | 175.1 | 1.2 | 119.7 | | |
| 378 | M | 38.7 | Very low | 46.1 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | | 59.3 | 149.4 | 125.7 | -128.5 | 172.6 | 101 | 0 | 0 | 128.2 | | |
| 379 | V | 39.8 | Very low | 45.9 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | 95.1 | 157.3 | 159.1 | -153.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 380 | S | 47.9 | Very low | 46.1 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -151.3 | 160.4 | -146.9 | 57.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 381 | K | 44.8 | Very low | 46 | Very low | 214 Ų | 214 | 139.5 Ų | 139.5 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | | | trans | -169.9 | -177.7 | 150.2 | -118.2 | 179.3 | -178.4 | -177.9 | 0 | 115.2 | | |
| 382 | S | 44.7 | Very low | 46.1 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -158.2 | 169.2 | -165 | 54.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 383 | K | 54.2 | Low | 45.9 | Very low | 175 Ų | 175 | 142 Ų | 142 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | 89.5 | 161.9 | 145.7 | -173.1 | 171 | 171 | 176.9 | 0 | 124.1 | | |
| 384 | D | 43.5 | Very low | 46 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | 74.6 | 159.6 | 154.4 | -89.7 | -11.9 | 0 | 0 | 0 | 123.6 | | |
| 385 | G | 47.4 | Very low | 46 | Very low | 56 Ų | 56 | 141.4 Ų | 141.4 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | | | cis | 172.4 | -172 | -2.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 386 | T | 44.7 | Very low | 46 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | | | trans | 92.7 | 152.5 | 176.8 | -43.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 387 | G | 47.3 | Very low | 46.1 | Very low | 59 Ų | 59 | 138.3 Ų | 138.3 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | cis | 149.7 | 164 | -13.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 388 | S | 49.6 | Very low | 46.1 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | 79 | 160.1 | 162.6 | 78.4 | 0 | 0 | 0 | 0 | 122 | | |
| 389 | D | 48.9 | Very low | 46.1 | Very low | 110 Ų | 110 | 134 Ų | 134 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | | | cis | -172 | -179.2 | -30.5 | -99 | -61.2 | 0 | 0 | 0 | 113.6 | R472 | D389-R472 IonicContact OD1-CZ 3.97Å; D389-R472 IonicContact OD1-NH1 3.24Å; D389-R472 PolarHBondContact OD1-NH1 3.32Å; D389-R472 IonicContact OD2-CZ 2.66Å; D389-R472 VanDerWaalsContact OD2-CZ 3.24Å; D389-R472 IonicContact OD2-NH1 2.61Å; D389-R472 PolarHBondContact OD2-NH1 3.07Å; D389-R472 IonicContact OD2-NH2 3.53Å; D389-R472 PolarHBondContact OD2-NH2 2.94Å |
| 390 | D | 58.8 | Low | 46.1 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | trans | 122.3 | 115.3 | 137.6 | -101.8 | -15.5 | 0 | 0 | 0 | 128.8 | | |
| 391 | K | 56.5 | Low | 45.6 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 83.4 | 106 | 136.2 | -80 | 162.4 | -178.3 | 80.4 | 0 | 129.8 | | |
| 392 | K | 51.7 | Low | 45.5 | Very low | 203 Ų | 203 | 132 Ų | 132 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | | 100.5 | 94.4 | 114.1 | -158.9 | 179.5 | 179.6 | -175.6 | 0 | 127.3 | | |
| 393 | A | 44.2 | Very low | 45.2 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | | 50.1 | 137.9 | 128.3 | 0 | 0 | 0 | 0 | 0 | 128.8 | | |
| 394 | K | 46.2 | Very low | 44.8 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | | | | 158.2 | 110.2 | 110.2 | -167.4 | 174.4 | -175.8 | -173.9 | 0 | 119.8 | | |
| 395 | T | 40.1 | Very low | 44.7 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | 62.3 | 121.3 | 137.7 | -48.1 | 0 | 0 | 0 | 0 | 127.3 | | |
| 396 | S | 39.9 | Very low | 44.4 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | 95.1 | 114.7 | 138.2 | -86.6 | 0 | 0 | 0 | 0 | 128.4 | | |
| 397 | T | 38.9 | Very low | 44.3 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | | 87.6 | 120.8 | 116.7 | -52.6 | 0 | 0 | 0 | 0 | 124.9 | | |
| 398 | R | 39.4 | Very low | 44 | Very low | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | | | trans | 85.6 | 122.6 | 148.5 | -92 | -174.5 | 178.3 | -171.9 | -1 | 125 | | |
| 399 | S | 39.5 | Very low | 43.2 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | | 102.3 | 115.2 | 118.6 | -77.7 | 0 | 0 | 0 | 0 | 125.1 | | |
| 400 | S | 40.6 | Very low | 42.8 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | | 89 | 85.3 | 123.4 | -57 | 0 | 0 | 0 | 0 | 124 | | |
| 401 | A | 37 | Very low | 42.1 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | 27.5 | 139.7 | 124 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 402 | K | 41.6 | Very low | 41.3 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | | -173.4 | 112.3 | 115.1 | -101.3 | 167.4 | -176.1 | -178.6 | 0 | 116.4 | | |
| 403 | T | 39.3 | Very low | 40.5 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | | | trans | 28 | 124.8 | 135 | -31.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 404 | L | 44.8 | Very low | 39.9 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | | 165.7 | 102.5 | 117.3 | -86.2 | 171.7 | 0 | 0 | 0 | 110.1 | | |
| 405 | K | 43.1 | Very low | 39.7 | Very low | 173 Ų | 173 | 142 Ų | 142 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | | 64.8 | 94.7 | 95.5 | -70.9 | -167.4 | -175.5 | -175.4 | 0 | 116.1 | | |
| 406 | N | 40.7 | Very low | 39.9 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | | -176.2 | 162.7 | 108 | -85.6 | -12.1 | 0 | 0 | 0 | 112.6 | | |
| 407 | R | 42.2 | Very low | 40 | Very low | 226 Ų | 226 | 142.7 Ų | 142.7 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -143.7 | 163.7 | -169.5 | 179.9 | 178.3 | 179.2 | -153.9 | -1.1 | 105.9 | | |
| 408 | P | 40.1 | Very low | 40 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | | | cis | -131.5 | 171.1 | 18.3 | 12.2 | 16.3 | 0 | 0 | 0 | 119.3 | | |
| 409 | C | 33.2 | Very low | 40 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | 38.3 | 125.4 | 139.8 | -53.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 410 | L | 41.6 | Very low | 40.2 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | | -159.2 | 161 | 93.5 | -95.1 | 170.6 | 0 | 0 | 0 | 110.5 | | |
| 411 | S | 42.8 | Very low | 40.3 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -105.4 | -174.1 | -173.6 | -40.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 412 | P | 40.9 | Very low | 40.9 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | cis | -132.6 | 163.6 | -18.1 | 38.7 | -23.7 | 0 | 0 | 0 | 114.9 | | |
| 413 | K | 33.5 | Very low | 41.1 | Very low | 204 Ų | 204 | 134.2 Ų | 134.2 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | | | trans | 168.8 | 128.3 | 138.2 | -98.1 | 165.8 | -177.1 | 178.5 | 0 | 114.9 | | |
| 414 | H | 32.9 | Very low | 41.3 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | 61.4 | 176.1 | 156.2 | -116.2 | -129.9 | 0 | 0 | 0 | 117.1 | | |
| 415 | P | 42.5 | Very low | 41.1 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | cis | -132 | 176.1 | 2.9 | 42.7 | -25.8 | 0 | 0 | 0 | 118.5 | | |
| 416 | T | 44.1 | Very low | 41.3 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | -57.5 | 157.8 | 159.2 | 1.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 417 | P | 41.8 | Very low | 41.5 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | | | | -147.2 | -176.8 | 88.1 | 36.1 | -16.5 | 0 | 0 | 0 | 113.8 | | |
| 418 | G | 38.4 | Very low | 41.8 | Very low | 60 Ų | 60 | 127.2 Ų | 127.2 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | | | cis | 136.5 | 164.4 | -4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 419 | S | 40.1 | Very low | 42 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | 68.2 | 159.3 | -171.2 | 84.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 420 | S | 42.9 | Very low | 42.2 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | cis | -155.8 | 166 | 11.1 | -6.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 421 | D | 42.4 | Very low | 42 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | cis | -179.2 | -173.3 | -12.8 | -118.1 | -100.9 | 0 | 0 | 0 | 106.4 | | |
| 422 | P | 50.5 | Low | 41.4 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | cis | -136.3 | -166.3 | -14.7 | 32.8 | -9.8 | 0 | 0 | 0 | 114.8 | | |
| 423 | L | 44.8 | Very low | 41.5 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | 105.9 | 142 | 134.9 | -102.7 | 171.8 | 0 | 0 | 0 | 121.8 | | |
| 424 | I | 44.8 | Very low | 41.6 | Very low | 160 Ų | 160 | 124 Ų | 124 | 82% | 0.821 | 76% | 0.758 | S | S | * | * | | | trans | 77.5 | 86.3 | 175.9 | -47.2 | -174.2 | 0 | 0 | 0 | 116.4 | | |
| 425 | Q | 39.1 | Very low | 42.1 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | trans | -107.1 | -169.3 | 165 | -114.2 | -172.2 | -8.5 | 0 | 0 | 108.3 | | |
| 426 | P | 49 | Very low | 42 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | cis | -132.9 | 173.7 | -34.9 | 35.9 | -20 | 0 | 0 | 0 | 112.9 | | |
| 427 | S | 44.7 | Very low | 41.8 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | -154 | 132.4 | 151.7 | -77.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 428 | S | 47.2 | Very low | 42 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -100.6 | -173 | -177.9 | -32 | 0 | 0 | 0 | 0 | 110.4 | | |
| 429 | P | 45.3 | Very low | 42.3 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | cis | -135.7 | -164.1 | -12.8 | 34.5 | -12.6 | 0 | 0 | 0 | 113.6 | | |
| 430 | A | 37.4 | Very low | 42.4 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | trans | 94.3 | 122 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 431 | V | 37 | Very low | 42 | Very low | 142 Ų | 142 | 131 Ų | 131 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | 75.6 | 116.8 | 135.1 | 176.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 432 | C | 30.7 | Very low | 42.3 | Very low | 114 Ų | 114 | 130 Ų | 130 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -92 | -178.4 | 160.9 | -17 | 0 | 0 | 0 | 0 | 110.3 | | |
| 433 | P | 41.7 | Very low | 41.8 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | | | cis | -130.3 | 164.9 | -20.4 | 39.1 | -24.4 | 0 | 0 | 0 | 113.8 | | |
| 434 | E | 35.7 | Very low | 41.6 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | 61.7 | 148.7 | 168.5 | -122.7 | -179.7 | 126.5 | 0 | 0 | 116.9 | P436 | E434-P436 WeakPolarHBondContact OE1-CD 3.11Š|
| 435 | P | 44 | Very low | 41.4 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | | | | -149.7 | 164.8 | 88.1 | 39.9 | -23.5 | 0 | 0 | 0 | 115.9 | | |
| 436 | P | 39.8 | Very low | 41.6 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | trans | -86.6 | 147.4 | 164 | 34.9 | -31.9 | 0 | 0 | 0 | 112 | E434 | E434-P436 WeakPolarHBondContact OE1-CD 3.11Š|
| 437 | S | 39.9 | Very low | 41.2 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -162.6 | 139.6 | 173.2 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 438 | S | 46.3 | Very low | 41 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | cis | -171.5 | -169 | -14.4 | 58.3 | 0 | 0 | 0 | 0 | 106 | | |
| 439 | P | 44.4 | Very low | 40.5 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | | | cis | -136.9 | -175.9 | -4.8 | 32.5 | -9.2 | 0 | 0 | 0 | 115.9 | | |
| 440 | K | 43.4 | Very low | 40.2 | Very low | 192 Ų | 192 | 126.1 Ų | 126.1 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | | | trans | 106.7 | 106.8 | 153.8 | -60.1 | 172.1 | -176.7 | 174.4 | 0 | 119.2 | | |
| 441 | Y | 34.9 | Very low | 40.3 | Very low | 217 Ų | 217 | 128.1 Ų | 128.1 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | 94.5 | 133.1 | 133.2 | -120.3 | -124.4 | 0 | 0 | 0 | 122.3 | | |
| 442 | V | 48.2 | Very low | 40.2 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | | | trans | 57.6 | 96.9 | 159.5 | -69.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 443 | S | 40.2 | Very low | 40.4 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | | 74.6 | 114 | 110.2 | -157.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 444 | S | 40.3 | Very low | 40.1 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | 70.1 | 153.5 | 134.7 | 71.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 445 | V | 40.6 | Very low | 40.3 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | cis | -142.7 | 146.5 | 12.1 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 446 | T | 43.9 | Very low | 39.8 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | -3.4 | 144.2 | 155.3 | -18.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 447 | S | 39.9 | Very low | 40.1 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | | -176 | 146.8 | 55.9 | -53 | 0 | 0 | 0 | 0 | 118.2 | | |
| 448 | R | 40.7 | Very low | 39.9 | Very low | 224 Ų | 224 | 130.9 Ų | 130.9 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | 65.3 | 143.1 | 133.2 | -73.9 | 172.7 | -168.7 | -128.7 | 0.8 | 122.2 | | |
| 449 | T | 36.5 | Very low | 39.6 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | cis | -169 | 149.9 | -18.2 | 8.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 450 | G | 38.5 | Very low | 39 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | 87.9 | 158.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 451 | S | 39.8 | Very low | 38.4 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | cis | -159.9 | 167.5 | -16 | -161.8 | 0 | 0 | 0 | 0 | 111 | | |
| 452 | S | 36 | Very low | 38.5 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -91.4 | 147 | -168.1 | 55.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 453 | G | 34.1 | Very low | 37.9 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | -98.9 | -162.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 454 | A | 36 | Very low | 37.8 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -167.6 | 165 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 455 | K | 38.3 | Very low | 37.5 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | 68.3 | 153.8 | 160.4 | -74.6 | -175.3 | 172.2 | -99.1 | 0 | 118.7 | | |
| 456 | E | 33.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 55% | 0.551 | 77% | 0.766 | S | S | * | * | | | cis | -172.2 | 165.2 | -19.7 | -174.8 | 175.6 | 115.8 | 0 | 0 | 109.6 | | |
| 457 | M | 46.8 | Very low | 36.7 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | 63.6 | 149.9 | 155.8 | 49.1 | -178.3 | 150.6 | 0 | 0 | 121.1 | | |
| 458 | K | 34.7 | Very low | 36.4 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | cis | -179.6 | 128.3 | -15.1 | 167.5 | -178.5 | -177.6 | 177.1 | 0 | 111.3 | | |
| 459 | L | 39.9 | Very low | 36.2 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | 41.6 | 156.8 | 149.6 | -48 | 172.3 | 0 | 0 | 0 | 120.3 | | |
| 460 | K | 32.6 | Very low | 36.1 | Very low | 198 Ų | 198 | 127 Ų | 127 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | cis | -172.5 | 159.3 | 27.9 | -160 | 172.8 | 176.7 | 178.4 | 0 | 112.3 | | |
| 461 | G | 30.6 | Very low | 36.4 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | trans | 98.7 | 131.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 462 | A | 37.9 | Very low | 36.2 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | cis | 74 | 134.2 | 25.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 463 | D | 35.8 | Very low | 36 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | cis | -132.4 | 163.4 | 4.1 | -86 | -80.8 | 0 | 0 | 0 | 109.9 | | |
| 464 | G | 36.6 | Very low | 36.1 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | | | | 75 | 152 | 84.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 465 | K | 35.2 | Very low | 36.4 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | | | cis | -174.6 | 143.1 | -4.1 | -115.9 | 173.2 | -176.7 | 160.5 | 0 | 109.2 | | |
| 466 | T | 32.1 | Very low | 36.8 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | | | trans | 65.6 | 162.7 | 146.8 | 62.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 467 | K | 34.8 | Very low | 37.3 | Very low | 169 Ų | 169 | 121.3 Ų | 121.3 | 74% | 0.735 | 71% | 0.709 | S | S | * | * | | | cis | -168.6 | 163.1 | -14 | -112.1 | 171.2 | 175.5 | -171.4 | 0 | 110.6 | | |
| 468 | I | 35 | Very low | 36.9 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | | | trans | 58.3 | 121.7 | 143.1 | -66.6 | 167.4 | 0 | 0 | 0 | 117.5 | | |
| 469 | A | 34.5 | Very low | 37.5 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | | | cis | 83.2 | 146.6 | 36.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 470 | T | 35.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | | | trans | 129.1 | 124.8 | 155.3 | -52.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 471 | P | 44.1 | Very low | 37.5 | Very low | 120 Ų | 120 | 110.9 Ų | 110.9 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | | | trans | -101.4 | -144.9 | 176.1 | 42.1 | -37.1 | 0 | 0 | 0 | 111.9 | | |
| 472 | R | 35.6 | Very low | 38.1 | Very low | 189 Ų | 189 | 117.2 Ų | 117.2 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | | | trans | 83.9 | 146.8 | 173.9 | -158.8 | 172.2 | 173.5 | -156 | -5.4 | 113.8 | D389 | D389-R472 IonicContact OD1-CZ 3.97Å; D389-R472 IonicContact OD1-NH1 3.24Å; D389-R472 PolarHBondContact OD1-NH1 3.32Å; D389-R472 IonicContact OD2-CZ 2.66Å; D389-R472 VanDerWaalsContact OD2-CZ 3.24Å; D389-R472 IonicContact OD2-NH1 2.61Å; D389-R472 PolarHBondContact OD2-NH1 3.07Å; D389-R472 IonicContact OD2-NH2 3.53Å; D389-R472 PolarHBondContact OD2-NH2 2.94Å |
| 473 | G | 32.7 | Very low | 38 | Very low | 70 Ų | 70 | 117 Ų | 117 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | | | cis | -169 | -176.1 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 474 | A | 35.9 | Very low | 37.9 | Very low | 56 Ų | 56 | 117.2 Ų | 117.2 | 46% | 0.463 | 70% | 0.704 | S | S | . | * | | | trans | -119.6 | 155.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H603 | A474-H603 VanDerWaalsContact CB-CE1 3.45Å; A474-H603 WeakPolarHBondContact CB-CE1 3.21Å; A474-H603 WeakPolarHBondContact CB-NE2 3.47Å |
| 475 | A | 41.7 | Very low | 38 | Very low | 48 Ų | 48 | 117.9 Ų | 117.9 | 40% | 0.397 | 70% | 0.702 | S | S | . | * | | | trans | 68.8 | -179.7 | 158 | 0 | 0 | 0 | 0 | 0 | 114.6 | N600 | A475-N600 VanDerWaalsContact CA-CG 3.41Å; A475-N600 WeakPolarHBondContact CA-ND2 3.07Å; A475-N600 WeakPolarHBondContact CA-OD1 3.45Å; A475-N600 PolarHBondContact N-OD1 2.89Å; A475-N600 PolarHBondContact O-ND2 2.83Å; A475-N600 VanDerWaalsContact O-ND2 3.11Å |
| 476 | P | 47.8 | Very low | 38.1 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 60% | 0.597 | 71% | 0.705 | S | S | * | * | | | cis | -121.3 | -106.4 | -0.1 | 22.9 | 3 | 0 | 0 | 0 | 117.8 | | |
| 477 | P | 44.8 | Very low | 38.6 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 62% | 0.617 | 71% | 0.708 | S | S | * | * | | | | -131.1 | -171 | -119.9 | 42.7 | -25.4 | 0 | 0 | 0 | 116.7 | S597 | P477-S597 PolarHBondContact O-OG 2.66Š|
| 478 | G | 37.7 | Very low | 39.1 | Very low | 63 Ų | 63 | 117.9 Ų | 117.9 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | | | trans | 98.6 | 149.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 479 | Q | 48.2 | Very low | 39.5 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | | | cis | -152.9 | 155.3 | -3.3 | -95.3 | -165.9 | 12.2 | 0 | 0 | 110.5 | | |
| 480 | K | 37.7 | Very low | 39.6 | Very low | 187 Ų | 187 | 117 Ų | 117 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | | | trans | 52 | 130.2 | 149.8 | -65.6 | 166.9 | 179.3 | 158.6 | 0 | 120.8 | | |
| 481 | G | 33.9 | Very low | 39.9 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | | | | 114.4 | 103.8 | 114.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 482 | Q | 43.8 | Very low | 39.9 | Very low | 199 Ų | 199 | 121.4 Ų | 121.4 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | | | trans | 65.6 | 149.7 | 143.4 | -63.4 | 177.3 | -95.1 | 0 | 0 | 121.9 | | |
| 483 | A | 36.2 | Very low | 40.7 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | | | trans | 72.2 | 101.9 | 147 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 484 | N | 32.1 | Very low | 41.3 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | | | | 66.2 | 87 | 112.4 | -163.5 | 23.6 | 0 | 0 | 0 | 121.2 | | |
| 485 | A | 38.7 | Very low | 41.5 | Very low | 82 Ų | 82 | 122 Ų | 122 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | | | trans | 64.7 | 173.3 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 486 | T | 37.3 | Very low | 41.6 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | trans | 77.8 | 128.4 | 172.2 | -46.6 | 0 | 0 | 0 | 0 | 115 | | |
| 487 | R | 42.6 | Very low | 41.3 | Very low | 208 Ų | 208 | 130 Ų | 130 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | cis | -168.6 | 150.2 | -16.1 | -119.8 | -174.4 | 170.4 | -142.2 | -0.6 | 108.6 | | |
| 488 | I | 45.8 | Very low | 41 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | 44.6 | 127.6 | 132.8 | -65 | 174 | 0 | 0 | 0 | 118.3 | | |
| 489 | P | 44.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | | -149.6 | 123.2 | 71.7 | 35.2 | -13.1 | 0 | 0 | 0 | 120.6 | | |
| 490 | A | 36.7 | Very low | 41 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | trans | 15.8 | 144.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 491 | K | 40.9 | Very low | 40.9 | Very low | 216 Ų | 216 | 128.6 Ų | 128.6 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | | | | -148.9 | 121.6 | 125 | -107.5 | 165.3 | -174.1 | 179.9 | 0 | 112.9 | | |
| 492 | T | 43.9 | Very low | 41.2 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | -83.6 | -172.4 | -177.2 | 25.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 493 | P | 51.5 | Low | 40.9 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | cis | -134.8 | -143.5 | -28.3 | 37.5 | -14.9 | 0 | 0 | 0 | 109.8 | | |
| 494 | P | 46.1 | Very low | 41 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | cis | -128.6 | 176.4 | -19.4 | 40 | -22.5 | 0 | 0 | 0 | 116.1 | | |
| 495 | A | 40 | Very low | 41.3 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | -129.1 | 171.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 496 | P | 44.6 | Very low | 41.3 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | trans | -123.8 | -179.3 | 133.7 | 40.7 | -31.3 | 0 | 0 | 0 | 109.9 | | |
| 497 | K | 40 | Very low | 41.4 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | cis | -127.7 | -139.7 | 11.8 | -61.9 | 174.3 | 179.2 | 180 | 0 | 110.9 | | |
| 498 | T | 39.6 | Very low | 41.4 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -169.9 | 170.2 | -159.5 | 24.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 499 | P | 41 | Very low | 41.3 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | cis | -129.3 | -135.5 | -16.8 | 31.8 | -6.2 | 0 | 0 | 0 | 111.9 | | |
| 500 | P | 43.6 | Very low | 41.3 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | | -131.4 | 169.8 | -108.9 | 42.2 | -23.9 | 0 | 0 | 0 | 117.4 | | |
| 501 | S | 36.2 | Very low | 41.8 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | | 159.7 | 158.6 | 121.5 | -160.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 502 | S | 41 | Very low | 42.6 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | trans | 6.1 | 128.6 | 162.9 | 57.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 503 | A | 37.4 | Very low | 42.9 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | | 65.8 | 139.8 | 58.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 504 | T | 36.9 | Very low | 42.5 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | cis | -156.3 | -177.6 | 7.5 | -12.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 505 | K | 39.3 | Very low | 42.1 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | | | trans | -54.6 | 145.8 | -178.5 | -57.2 | 177.4 | 176 | -179.5 | 0 | 116.8 | | |
| 506 | Q | 38.5 | Very low | 42.3 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | 54.8 | 141 | 134.8 | -80.5 | -168.9 | -5 | 0 | 0 | 124 | | |
| 507 | V | 39.1 | Very low | 41.8 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | 68.3 | 76.8 | 147.1 | -176.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 508 | Q | 42.6 | Very low | 41.7 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | | 55 | 117.8 | 110.6 | -162.5 | 174.2 | 121.9 | 0 | 0 | 121.2 | | |
| 509 | R | 43.2 | Very low | 41.2 | Very low | 217 Ų | 217 | 138.3 Ų | 138.3 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | | | trans | 78.3 | 92.2 | 152.6 | -74.6 | 171.2 | -172.4 | -136.1 | 1.1 | 120.8 | | |
| 510 | R | 44.3 | Very low | 40.8 | Very low | 236 Ų | 236 | 144 Ų | 144 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | | 54.1 | 150 | 112 | -91.2 | -156.5 | 155 | -154.9 | -1.8 | 121.2 | | |
| 511 | P | 48.2 | Very low | 40.5 | Very low | 101 Ų | 101 | 142 Ų | 142 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | | | cis | -138.3 | -138.4 | -43.1 | 44 | -22.2 | 0 | 0 | 0 | 111.3 | | |
| 512 | P | 56.9 | Low | 40.5 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | trans | -129.7 | -145.8 | -136.7 | 40.2 | -12.6 | 0 | 0 | 0 | 111.3 | | |
| 513 | P | 51.4 | Low | 40.8 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | cis | -137.2 | -170.5 | -11.8 | 40.8 | -21.2 | 0 | 0 | 0 | 116.4 | | |
| 514 | A | 42 | Very low | 41 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | 103.6 | 145.1 | 145 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 515 | G | 38.4 | Very low | 41.1 | Very low | 76 Ų | 76 | 149.5 Ų | 149.5 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | 93.8 | 94.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 516 | P | 45.1 | Very low | 41.2 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | trans | -111.3 | 164 | 174.7 | 39.7 | -32.1 | 0 | 0 | 0 | 115.1 | | |
| 517 | R | 34.1 | Very low | 41.3 | Very low | 246 Ų | 246 | 141.8 Ų | 141.8 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | | | trans | 75.1 | 143.5 | 175.5 | -48.5 | 173.4 | -178.2 | 177.9 | -0.6 | 113 | | |
| 518 | S | 36.5 | Very low | 41.4 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | cis | -152.4 | -178 | 27.2 | -153.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 519 | E | 30.6 | Very low | 41.5 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | 2.3 | 161.3 | 163 | -67.4 | -164.7 | 140.7 | 0 | 0 | 124.9 | | |
| 520 | R | 31.3 | Very low | 41.6 | Very low | 236 Ų | 236 | 141.4 Ų | 141.4 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | | | trans | 91 | 122.5 | 145.6 | -163.3 | 177.8 | -64.9 | -155.7 | -1.1 | 117.3 | | |
| 521 | G | 36.8 | Very low | 41.4 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | 171.5 | 74.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 522 | E | 36 | Very low | 41.4 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -70.5 | 177.2 | 158.8 | -115.4 | -160.5 | 114.6 | 0 | 0 | 111 | | |
| 523 | P | 48.7 | Very low | 40.8 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | cis | -134.4 | 174.8 | -6.8 | 37.1 | -18.9 | 0 | 0 | 0 | 115.4 | | |
| 524 | P | 41.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | | | trans | -98.6 | 141.6 | 167.7 | 35.8 | -31 | 0 | 0 | 0 | 113.7 | | |
| 525 | K | 38.9 | Very low | 40.6 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | -171.9 | 152.8 | 160.7 | -110 | 144.7 | -171.1 | 168.4 | 0 | 117.1 | | |
| 526 | S | 41.3 | Very low | 40.6 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | 69 | 144.2 | 163.5 | 67.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 527 | G | 40.8 | Very low | 40.8 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | 168.7 | -22.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 528 | D | 41.5 | Very low | 41.7 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | 44.9 | 99.8 | 162.5 | -92.9 | 28 | 0 | 0 | 0 | 121.3 | | |
| 529 | R | 44.3 | Very low | 41.9 | Very low | 232 Ų | 232 | 132.8 Ų | 132.8 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | | 176.2 | 151.5 | 101.7 | -93.4 | 163.3 | -173.2 | -156.8 | -1.1 | 115.8 | | |
| 530 | S | 44.1 | Very low | 42.5 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -51.7 | 162.1 | 174.2 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 531 | G | 41.9 | Very low | 43.4 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | cis | 170.3 | 173.7 | 6.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 532 | Y | 48.2 | Very low | 43.6 | Very low | 218 Ų | 218 | 126.4 Ų | 126.4 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | cis | -155 | 137.4 | 18.2 | -156.3 | -105.4 | 0 | 0 | 0 | 111.4 | | |
| 533 | S | 43.7 | Very low | 44 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | trans | 48.8 | 111.8 | 155.9 | -56 | 0 | 0 | 0 | 0 | 122.5 | | |
| 534 | S | 45.9 | Very low | 43.9 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -75.3 | 160 | 167 | -50.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 535 | P | 43.3 | Very low | 44.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -75.5 | 156.4 | 167 | 33.3 | -35.8 | 0 | 0 | 0 | 112.2 | | |
| 536 | G | 38.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | trans | -149.6 | 141.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 537 | S | 48.5 | Very low | 44.9 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | | | trans | -174.4 | 164.3 | 177 | -72.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 538 | P | 52.4 | Low | 45.5 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | | -120.2 | -176.5 | -50.9 | 38.5 | -25.5 | 0 | 0 | 0 | 111.1 | | |
| 539 | G | 41.4 | Very low | 45.8 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | -154.8 | 155.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 540 | T | 42.5 | Very low | 46.3 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | -145.3 | -170.2 | -174.4 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 541 | P | 51.3 | Low | 46.6 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | | -124.8 | 175.9 | -67.9 | 38 | -24.1 | 0 | 0 | 0 | 113.2 | | |
| 542 | G | 41.4 | Very low | 47.1 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | 144.4 | 156.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 543 | S | 44.2 | Very low | 47.7 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | | | trans | 77.2 | 154.3 | 161.7 | -65.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 544 | R | 45.4 | Very low | 48.5 | Very low | 251 Ų | 251 | 128.8 Ų | 128.8 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | | | trans | -124.5 | 148.2 | -163.2 | -64.9 | 166.2 | 162 | 170.3 | -7.8 | 112.8 | | |
| 545 | S | 51.4 | Low | 48.4 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -152.1 | 175.4 | 148.4 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 546 | R | 48.9 | Very low | 48.7 | Very low | 225 Ų | 225 | 133.9 Ų | 133.9 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | | | trans | -133.9 | 135.9 | -159.6 | -48.3 | 173.5 | -177.6 | 167 | -1.1 | 114.3 | | |
| 547 | T | 44.1 | Very low | 49.6 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 57.7 | 168 | 140.6 | 52.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 548 | P | 52.6 | Low | 50 | Low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | cis | -131.1 | -170.4 | -15.6 | 26.8 | -2.9 | 0 | 0 | 0 | 114.8 | | |
| 549 | S | 47.6 | Very low | 49.9 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | 102.2 | 141.1 | 149.9 | -51 | 0 | 0 | 0 | 0 | 120.1 | | |
| 550 | L | 54.6 | Low | 50.5 | Low | 146 Ų | 146 | 143.2 Ų | 143.2 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -113.9 | 173.8 | -178.8 | -141.3 | 78.6 | 0 | 0 | 0 | 109.6 | | |
| 551 | P | 51.4 | Low | 51 | Low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | | -147.1 | 166.8 | 67.7 | 35.9 | -14.2 | 0 | 0 | 0 | 118.2 | | |
| 552 | T | 52.3 | Low | 51.1 | Low | 117 Ų | 117 | 141.8 Ų | 141.8 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | trans | -82 | -171.5 | 168.2 | 9.8 | 0 | 0 | 0 | 0 | 112 | | |
| 553 | P | 61 | Low | 51.8 | Low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | cis | -138.3 | -143.5 | 16.5 | 46.4 | -24.5 | 0 | 0 | 0 | 112.5 | | |
| 554 | P | 58.7 | Low | 52.8 | Low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | cis | -131 | -178.3 | -18.5 | 38.5 | -19.3 | 0 | 0 | 0 | 116.7 | | |
| 555 | T | 45 | Very low | 53.3 | Low | 138 Ų | 138 | 143.4 Ų | 143.4 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -121.5 | 150.8 | -170.9 | -52.1 | 0 | 0 | 0 | 0 | 114 | | |
| 556 | R | 49.7 | Very low | 53.4 | Low | 216 Ų | 216 | 144 Ų | 144 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | | | trans | -163.5 | 155.2 | 155 | -93.7 | -178.5 | -175 | -116.8 | 7.8 | 110.4 | | |
| 557 | E | 57 | Low | 54.1 | Low | 112 Ų | 112 | 138.7 Ų | 138.7 | 52% | 0.523 | 78% | 0.781 | S | S | . | * | | | cis | -163.9 | 161.6 | -31.7 | 65 | -179.3 | 101.3 | 0 | 0 | 110.9 | K559 | E557-K559 IonicContact OE2-NZ 3.14Å; E557-K559 PolarHBondContact OE2-NZ 2.68Å; E557-K559 VanDerWaalsContact OE2-NZ 3.14Å |
| 558 | P | 58.1 | Low | 54.9 | Low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | trans | -118.6 | 160 | -174.2 | 40.7 | -31.6 | 0 | 0 | 0 | 116.2 | | |
| 559 | K | 50.4 | Low | 55 | Low | 176 Ų | 176 | 142.9 Ų | 142.9 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | trans | -166.6 | 149.9 | 162.6 | -98.8 | 127.1 | -159.7 | 166.7 | 0 | 117.2 | E557 | E557-K559 IonicContact OE2-NZ 3.14Å; E557-K559 PolarHBondContact OE2-NZ 2.68Å; E557-K559 VanDerWaalsContact OE2-NZ 3.14Å |
| 560 | K | 53.3 | Low | 56.1 | Low | 193 Ų | 193 | 142.6 Ų | 142.6 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | 73.3 | 78.3 | 153.1 | -70.8 | -173.5 | 174.7 | -175 | 0 | 122.9 | | |
| 561 | V | 52.3 | Low | 56.9 | Low | 134 Ų | 134 | 141.8 Ų | 141.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | | 27.7 | 127 | 115.3 | -172.8 | 0 | 0 | 0 | 0 | 120.3 | V563 | V561-V563 HydrophobicContact CG1-CG2 4.09Š|
| 562 | A | 53.6 | Low | 57.4 | Low | 102 Ų | 102 | 141.8 Ų | 141.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -137.4 | 150.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 563 | V | 56.6 | Low | 58 | Low | 119 Ų | 119 | 141.4 Ų | 141.4 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | trans | -115.3 | 122.4 | -169.8 | 176.3 | 0 | 0 | 0 | 0 | 112 | V561 | V561-V563 HydrophobicContact CG1-CG2 4.09Š|
| 564 | V | 65 | Low | 58.1 | Low | 142 Ų | 142 | 140.6 Ų | 140.6 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | -139.5 | 146 | 168.4 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 565 | R | 56.1 | Low | 58.1 | Low | 230 Ų | 230 | 145.1 Ų | 145.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | -89.6 | 164.7 | -177.5 | -75.2 | 174.1 | 154.4 | 102.5 | -6.1 | 112.6 | | |
| 566 | T | 52.7 | Low | 59.1 | Low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -81.4 | 156.5 | -163.8 | 45.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 567 | P | 63.2 | Low | 59.4 | Low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | | -119.6 | 161.3 | 121.5 | -3.7 | 24 | 0 | 0 | 0 | 112.8 | | |
| 568 | P | 61 | Low | 59.5 | Low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | trans | -74.2 | 152.1 | 178.4 | 31.4 | -35.1 | 0 | 0 | 0 | 112.8 | | |
| 569 | K | 55.8 | Low | 59.8 | Low | 209 Ų | 209 | 150.5 Ų | 150.5 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -84.2 | 144.9 | 177.4 | -69.7 | -179.5 | 178.2 | 177.7 | 0 | 111.8 | | |
| 570 | S | 70.3 | Confident | 60.2 | Low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | | | trans | -143.6 | 142.3 | 162.7 | -68.3 | 0 | 0 | 0 | 0 | 108.6 | S572 | S570-S572 PolarHBondContact O-N 3.35Š|
| 571 | P | 72.4 | Confident | 60.7 | Low | 130 Ų | 130 | 144.4 Ų | 144.4 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 123 | -175.7 | 28.9 | -33.4 | 0 | 0 | 0 | 111.3 | | |
| 572 | S | 60.3 | Low | 61.1 | Low | 127 Ų | 127 | 143.5 Ų | 143.5 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 134.2 | 173 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | S570 | S570-S572 PolarHBondContact O-N 3.35Š|
| 573 | S | 65.3 | Low | 61.9 | Low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 126.5 | -170.5 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 574 | A | 63.5 | Low | 62.8 | Low | 97 Ų | 97 | 144.5 Ų | 144.5 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 117 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S576 | A574-S576 PolarHBondContact O-N 3.18Š|
| 575 | K | 57.7 | Low | 63.5 | Low | 216 Ų | 216 | 146.2 Ų | 146.2 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | | | trans | -81.1 | 96.1 | 174.8 | -70.4 | 175.1 | -179.6 | 171.2 | 0 | 110.7 | | |
| 576 | S | 66.8 | Low | 64.8 | Low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | | | trans | -110.8 | 129.9 | 161.3 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | A574 | A574-S576 PolarHBondContact O-N 3.18Š|
| 577 | R | 56.4 | Low | 66.2 | Low | 238 Ų | 238 | 139.3 Ų | 139.3 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | | | trans | -133.6 | 89.9 | -178.1 | -175.1 | -173 | -176.4 | -172.8 | 2.2 | 109.4 | | |
| 578 | L | 58.2 | Low | 67.3 | Low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -111.2 | 160.4 | 166.9 | -74.5 | 171.1 | 0 | 0 | 0 | 110.4 | | |
| 579 | Q | 64 | Low | 68.3 | Low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -108.6 | 144.2 | -153.2 | -59.5 | 170.7 | -2.8 | 0 | 0 | 111.8 | | |
| 580 | T | 60.2 | Low | 69.7 | Low | 149 Ų | 149 | 139.1 Ų | 139.1 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | -128.3 | 112.1 | 175.5 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 581 | A | 63.1 | Low | 70.4 | Confident | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -159 | 153.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 582 | P | 62.1 | Low | 71 | Confident | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | S | Bend | cis | -124.7 | 149.5 | 25.1 | 38.1 | -23.8 | 0 | 0 | 0 | 116.3 | | |
| 583 | V | 68.7 | Low | 72.2 | Confident | 125 Ų | 125 | 139.4 Ų | 139.4 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | | | trans | 58.2 | 120.3 | 155.3 | -178.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 584 | P | 76.9 | Confident | 73.2 | Confident | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 144.4 | 168.9 | 30.7 | -34.6 | 0 | 0 | 0 | 110.8 | | |
| 585 | M | 79.5 | Confident | 74 | Confident | 179 Ų | 179 | 145.6 Ų | 145.6 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.8 | 178.1 | -68.5 | -163.8 | -62.2 | 0 | 0 | 111.4 | | |
| 586 | P | 82.3 | Confident | 75 | Confident | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.4 | -179.2 | 27.4 | -34.7 | 0 | 0 | 0 | 111.3 | | |
| 587 | D | 82.6 | Confident | 75.5 | Confident | 110 Ų | 110 | 133.3 Ų | 133.3 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 119.9 | -164.9 | -160.6 | 40.9 | 0 | 0 | 0 | 113.9 | K589 | D587-K589 WeakPolarHBondContact OD1-CE 3.43Å; D587-K589 WeakPolarHBondContact OD1-CG 3.36Å; D587-K589 IonicContact OD1-NZ 3.54Å |
| 588 | L | 85.7 | Confident | 76.6 | Confident | 130 Ų | 130 | 126.3 Ų | 126.3 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | | | trans | -108.6 | 6.8 | -172 | -62.1 | -179.5 | 0 | 0 | 0 | 114.6 | N590 V591 | L588-N590 PolarHBondContact O-N 3.05Å; L588-V591 HydrophobicContact CB-CG2 4.46Å; L588-V591 WeakPolarHBondContact O-CG2 3.45Å; L588-V591 PolarHBondContact O-N 3.07Å |
| 589 | K | 83.3 | Confident | 77.8 | Confident | 173 Ų | 173 | 125.5 Ų | 125.5 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -12.4 | -168.8 | -48.4 | -174.7 | -156 | -162.7 | 0 | 115 | D587 | D587-K589 WeakPolarHBondContact OD1-CE 3.43Å; D587-K589 WeakPolarHBondContact OD1-CG 3.36Å; D587-K589 IonicContact OD1-NZ 3.54Å |
| 590 | N | 84.2 | Confident | 78.7 | Confident | 139 Ų | 139 | 118.2 Ų | 118.2 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 12.9 | -174 | -66 | -58.8 | 0 | 0 | 0 | 114.2 | L588 K592 | L588-N590 PolarHBondContact O-N 3.05Å; N590-K592 PolarHBondContact O-N 3.07Å |
| 591 | V | 86.1 | Confident | 79.8 | Confident | 119 Ų | 119 | 118.1 Ų | 118.1 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | | | trans | -68.5 | 113.1 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 110 | L588 | L588-V591 HydrophobicContact CB-CG2 4.46Å; L588-V591 WeakPolarHBondContact O-CG2 3.45Å; L588-V591 PolarHBondContact O-N 3.07Å |
| 592 | K | 84 | Confident | 80.9 | Confident | 183 Ų | 183 | 123.2 Ų | 123.2 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | | | trans | -94.9 | 157.2 | 178.4 | -63.3 | -176.7 | -177.9 | -179.8 | 0 | 112 | N590 | N590-K592 PolarHBondContact O-N 3.07Š|
| 593 | S | 85.6 | Confident | 82 | Confident | 74 Ų | 74 | 122.3 Ų | 122.3 | 52% | 0.517 | 64% | 0.643 | S | S | . | * | | | trans | -62.8 | 140.8 | 174.3 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | I595 | S593-I595 PolarHBondContact O-N 3.29Š|
| 594 | K | 85.5 | Confident | 82.6 | Confident | 221 Ų | 221 | 124.7 Ų | 124.7 | 96% | 0.961 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -82.1 | 9.1 | 168.5 | -62.1 | -176.1 | 179.9 | -179.7 | 0 | 113.2 | | |
| 595 | I | 82 | Confident | 82.9 | Confident | 115 Ų | 115 | 124.4 Ų | 124.4 | 59% | 0.59 | 64% | 0.644 | S | S | * | * | | | trans | -108.2 | 123.1 | -177.8 | -61 | 172.6 | 0 | 0 | 0 | 107.4 | S593 S597 | S593-I595 PolarHBondContact O-N 3.29Å; I595-S597 VanDerWaalsContact C-N 3.31Å; I595-S597 WeakPolarHBondContact CG2-OG 3.07Å; I595-S597 PolarHBondContact O-N 3.1Å |
| 596 | G | 78.8 | Confident | 83.3 | Confident | 35 Ų | 35 | 119.7 Ų | 119.7 | 36% | 0.361 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -70.5 | -16.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T598 E599 | G596-T598 PolarHBondContact O-N 2.66Å; G596-E599 WeakPolarHBondContact O-CB 3.09Å; G596-E599 WeakPolarHBondContact O-CG 3.24Å; G596-E599 PolarHBondContact O-N 2.76Å |
| 597 | S | 76.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 118.4 Ų | 118.4 | 21% | 0.21 | 65% | 0.648 | C | S | . | * | G | 310 helix | trans | -53.1 | -19.6 | -169.6 | -41.2 | 0 | 0 | 0 | 0 | 115.6 | P477 I595 E599 N600 | P477-S597 PolarHBondContact O-OG 2.66Å; I595-S597 VanDerWaalsContact C-N 3.31Å; I595-S597 WeakPolarHBondContact CG2-OG 3.07Å; I595-S597 PolarHBondContact O-N 3.1Å; S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 PolarHBondContact O-N 2.86Å; S597-N600 PolarHBondContact O-N 3.34Å |
| 598 | T | 80.5 | Confident | 83.6 | Confident | 91 Ų | 91 | 116.8 Ų | 116.8 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -63.2 | -24.3 | 169.2 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | G596 N600 L601 | G596-T598 PolarHBondContact O-N 2.66Å; T598-N600 VanDerWaalsContact C-N 3.32Å; T598-L601 WeakPolarHBondContact O-CD1 3.41Å; T598-L601 WeakPolarHBondContact O-CG 3.37Å |
| 599 | E | 82.8 | Confident | 83.4 | Confident | 143 Ų | 143 | 120.9 Ų | 120.9 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -74.3 | -27 | 175.2 | 78.5 | -153.1 | 143.1 | 0 | 0 | 111.9 | G596 S597 | G596-E599 WeakPolarHBondContact O-CB 3.09Å; G596-E599 WeakPolarHBondContact O-CG 3.24Å; G596-E599 PolarHBondContact O-N 2.76Å; S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 PolarHBondContact O-N 2.86Å |
| 600 | N | 83.2 | Confident | 83.3 | Confident | 32 Ų | 32 | 119.3 Ų | 119.3 | 17% | 0.171 | 68% | 0.675 | C | S | . | * | G | 310 helix | trans | -90.3 | 1.1 | -173.3 | -73.9 | -61 | 0 | 0 | 0 | 114.2 | A475 S597 T598 K602 H603 | A475-N600 VanDerWaalsContact CA-CG 3.41Å; A475-N600 WeakPolarHBondContact CA-ND2 3.07Å; A475-N600 WeakPolarHBondContact CA-OD1 3.45Å; A475-N600 PolarHBondContact N-OD1 2.89Å; A475-N600 PolarHBondContact O-ND2 2.83Å; A475-N600 VanDerWaalsContact O-ND2 3.11Å; S597-N600 PolarHBondContact O-N 3.34Å; T598-N600 VanDerWaalsContact C-N 3.32Å; N600-K602 PolarHBondContact O-N 3.08Å; N600-H603 PolarHBondContact O-N 3.05Å |
| 601 | L | 83.5 | Confident | 83.3 | Confident | 146 Ų | 146 | 120.9 Ų | 120.9 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -58.8 | -17.4 | 177.5 | -63.1 | 174 | 0 | 0 | 0 | 114.1 | T598 | T598-L601 WeakPolarHBondContact O-CD1 3.41Å; T598-L601 WeakPolarHBondContact O-CG 3.37Å |
| 602 | K | 85.9 | Confident | 83.1 | Confident | 201 Ų | 201 | 122 Ų | 122 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -99.1 | -4.2 | 176.9 | -61.2 | -174.8 | -179.9 | -176.2 | 0 | 113.7 | N600 Q604 | N600-K602 PolarHBondContact O-N 3.08Å; K602-Q604 PolarHBondContact O-N 3.4Å |
| 603 | H | 83.8 | Confident | 83.1 | Confident | 95 Ų | 95 | 119.8 Ų | 119.8 | 44% | 0.44 | 67% | 0.674 | S | S | . | * | | | trans | -85.5 | 92 | 179.3 | -177.2 | 66.9 | 0 | 0 | 0 | 110.7 | A474 N600 | A474-H603 VanDerWaalsContact CB-CE1 3.45Å; A474-H603 WeakPolarHBondContact CB-CE1 3.21Å; A474-H603 WeakPolarHBondContact CB-NE2 3.47Å; N600-H603 PolarHBondContact O-N 3.05Å |
| 604 | Q | 83.1 | Confident | 82.9 | Confident | 175 Ų | 175 | 123.3 Ų | 123.3 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 135.5 | 154.7 | -68.7 | -178.9 | -7.7 | 0 | 0 | 108.4 | K602 G606 | K602-Q604 PolarHBondContact O-N 3.4Å; Q604-G606 PolarHBondContact O-N 2.83Å |
| 605 | P | 83.1 | Confident | 82.9 | Confident | 110 Ų | 110 | 121.4 Ų | 121.4 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 130.5 | 172.4 | 28.6 | -33.4 | 0 | 0 | 0 | 109.3 | G607 | P605-G607 PolarHBondContact O-N 2.95Š|
| 606 | G | 86.3 | Confident | 83 | Confident | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q604 | Q604-G606 PolarHBondContact O-N 2.83Š|
| 607 | G | 86.5 | Confident | 83.2 | Confident | 83 Ų | 83 | 131.4 Ų | 131.4 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 168.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P605 | P605-G607 PolarHBondContact O-N 2.95Š|
| 608 | G | 86.1 | Confident | 83.4 | Confident | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | | | trans | -130.7 | 143.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 609 | K | 81.4 | Confident | 83.5 | Confident | 217 Ų | 217 | 137.8 Ų | 137.8 | 94% | 0.943 | 74% | 0.741 | S | S | * | * | | | trans | -91.8 | 133.9 | 168.1 | -71.4 | -170.2 | 175.7 | -172.1 | 0 | 109 | | |
| 610 | V | 81.4 | Confident | 83.5 | Confident | 139 Ų | 139 | 134.8 Ų | 134.8 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | | | trans | -128.1 | 129.5 | 170.2 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 611 | Q | 83.1 | Confident | 83.5 | Confident | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | trans | -122.5 | 132 | 177.8 | -173.1 | 174.5 | 7.2 | 0 | 0 | 108.5 | | |
| 612 | I | 82.8 | Confident | 83.5 | Confident | 142 Ų | 142 | 134.8 Ų | 134.8 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | | | trans | -99.4 | 123.9 | 178.9 | -58.3 | 176.6 | 0 | 0 | 0 | 107.7 | | |
| 613 | I | 82.8 | Confident | 83.3 | Confident | 137 Ų | 137 | 128.1 Ų | 128.1 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | | | trans | -99.3 | 103.8 | -178.8 | -57.8 | 175.1 | 0 | 0 | 0 | 108.6 | K615 | I613-K615 HydrophobicContact CG2-CG 4.44Å; I613-K615 PolarHBondContact O-N 3.17Å |
| 614 | N | 81.9 | Confident | 83.4 | Confident | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | | | trans | -83.3 | 102.7 | 174.8 | -71.6 | -2.4 | 0 | 0 | 0 | 110.2 | | |
| 615 | K | 85.7 | Confident | 83.5 | Confident | 182 Ų | 182 | 124.5 Ų | 124.5 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 121.7 | 160.5 | -68.4 | -170.8 | 176 | -171.9 | 0 | 108.3 | I613 | I613-K615 HydrophobicContact CG2-CG 4.44Å; I613-K615 PolarHBondContact O-N 3.17Å |
| 616 | K | 83.7 | Confident | 83.2 | Confident | 213 Ų | 213 | 122 Ų | 122 | 93% | 0.926 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131 | 168.3 | -63.9 | -176.5 | 179.6 | -177 | 0 | 107.9 | | |
| 617 | L | 82.5 | Confident | 82.9 | Confident | 147 Ų | 147 | 120 Ų | 120 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 140.3 | 163.9 | -61.5 | 179.3 | 0 | 0 | 0 | 107.6 | | |
| 618 | D | 82.3 | Confident | 82.4 | Confident | 129 Ų | 129 | 119.5 Ų | 119.5 | 69% | 0.69 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 136.1 | 167.9 | -158.2 | -19.5 | 0 | 0 | 0 | 109.2 | S620 | D618-S620 VanDerWaalsContact OD1-CB 3.32Å; D618-S620 WeakPolarHBondContact OD1-CB 3.17Å; D618-S620 PolarHBondContact OD1-N 3.49Å; D618-S620 PolarHBondContact OD1-OG 3.08Å |
| 619 | L | 82.6 | Confident | 82 | Confident | 125 Ų | 125 | 118.8 Ų | 118.8 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | | | trans | -138.4 | 11 | -178.5 | -63.2 | 174.7 | 0 | 0 | 0 | 111.2 | N621 V622 | L619-N621 PolarHBondContact O-N 3.43Å; L619-V622 HydrophobicContact CB-CG2 4.35Å; L619-V622 HydrophobicContact CD2-CG2 4.34Å; L619-V622 WeakPolarHBondContact O-CG2 3.01Å; L619-V622 PolarHBondContact O-N 3.08Å |
| 620 | S | 81.1 | Confident | 82.1 | Confident | 80 Ų | 80 | 115.2 Ų | 115.2 | 56% | 0.559 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -40.9 | 177.7 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | D618 V622 | D618-S620 VanDerWaalsContact OD1-CB 3.32Å; D618-S620 WeakPolarHBondContact OD1-CB 3.17Å; D618-S620 PolarHBondContact OD1-N 3.49Å; D618-S620 PolarHBondContact OD1-OG 3.08Å; S620-V622 VanDerWaalsContact C-N 3.26Å; S620-V622 PolarHBondContact O-N 3.03Å; S620-V622 VanDerWaalsContact O-N 3.16Å |
| 621 | N | 83.2 | Confident | 82 | Confident | 74 Ų | 74 | 113.7 Ų | 113.7 | 40% | 0.396 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | 38 | -174.6 | -55.4 | -13.7 | 0 | 0 | 0 | 112.8 | E278 I279 L619 | E278-N621 HydrophobicContact CG-CB 4.18Å; E278-N621 VanDerWaalsContact OE1-CB 3.27Å; E278-N621 WeakPolarHBondContact OE1-CB 3.09Å; E278-N621 PolarHBondContact OE1-ND2 2.67Å; E278-N621 PolarHBondContact OE2-ND2 3.48Å; I279-N621 WeakPolarHBondContact CD1-O 3.14Å; I279-N621 HydrophobicContact CG2-CB 4.42Å; L619-N621 PolarHBondContact O-N 3.43Å |
| 622 | V | 83.4 | Confident | 82 | Confident | 105 Ų | 105 | 110.4 Ų | 110.4 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | | | trans | -109.7 | 106.1 | 179.1 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | L619 S620 | L619-V622 HydrophobicContact CB-CG2 4.35Å; L619-V622 HydrophobicContact CD2-CG2 4.34Å; L619-V622 WeakPolarHBondContact O-CG2 3.01Å; L619-V622 PolarHBondContact O-N 3.08Å; S620-V622 VanDerWaalsContact C-N 3.26Å; S620-V622 PolarHBondContact O-N 3.03Å; S620-V622 VanDerWaalsContact O-N 3.16Å |
| 623 | Q | 83.3 | Confident | 82.2 | Confident | 60 Ų | 60 | 113.4 Ų | 113.4 | 28% | 0.28 | 59% | 0.591 | S | S | . | * | | | trans | -102.3 | 129.8 | -177.2 | 150.8 | 165.4 | 34.1 | 0 | 0 | 111.6 | I279 P280 A281 | I279-Q623 HydrophobicContact CG2-CB 3.58Å; P280-Q623 VanDerWaalsContact C-CD 3.44Å; P280-Q623 PolarHBondContact O-NE2 3.24Å; A281-Q623 HydrophobicContact CB-CB 4.15Å; A281-Q623 HydrophobicContact CB-CG 3.48Å; A281-Q623 VanDerWaalsContact CB-CG 3.48Å |
| 624 | S | 84.3 | Confident | 82.3 | Confident | 22 Ų | 22 | 112.1 Ų | 112.1 | 15% | 0.154 | 58% | 0.582 | C | S | . | * | | | trans | -62.1 | 161.6 | 169.6 | 114.4 | 0 | 0 | 0 | 0 | 110.9 | S282 E283 C626 | S282-S624 WeakPolarHBondContact O-CB 3.48Å; S282-S624 PolarHBondContact O-OG 2.99Å; E283-S624 PolarHBondContact O-OG 3.07Å; E283-S624 VanDerWaalsContact O-OG 3.07Å; S624-C626 PolarHBondContact OG-N 3.16Å |
| 625 | K | 85 | Confident | 82.3 | Confident | 173 Ų | 173 | 111.2 Ų | 111.2 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | | | trans | -117.5 | 20.4 | 177.6 | -57.4 | -64.1 | 168.2 | -175.2 | 0 | 112.5 | | |
| 626 | C | 78.5 | Confident | 82.1 | Confident | 58 Ų | 58 | 107.2 Ų | 107.2 | 39% | 0.392 | 57% | 0.574 | S | S | . | * | | | trans | -100 | 104 | 174.8 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | P284 S624 S628 | P284-C626 VanDerWaalsContact CD-SG 3.58Å; P284-C626 HydrophobicContact CG-CB 4.26Å; S624-C626 PolarHBondContact OG-N 3.16Å; C626-S628 PolarHBondContact O-N 3.36Å |
| 627 | G | 79.3 | Confident | 82.1 | Confident | 39 Ų | 39 | 101 Ų | 101 | 40% | 0.402 | 57% | 0.571 | S | S | . | * | | | trans | -69.7 | 34.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | K629 D630 | G627-K629 PolarHBondContact O-N 2.98Å; G627-K629 VanDerWaalsContact O-N 3.12Å; G627-D630 VanDerWaalsContact CA-OD2 3.26Å; G627-D630 WeakPolarHBondContact CA-OD2 3.43Å; G627-D630 VanDerWaalsContact O-CB 3.3Å; G627-D630 WeakPolarHBondContact O-CB 3.44Å; G627-D630 PolarHBondContact O-N 2.88Å |
| 628 | S | 75.5 | Confident | 82 | Confident | 71 Ų | 71 | 97.1 Ų | 97.1 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -23.1 | -176.8 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | C626 | C626-S628 PolarHBondContact O-N 3.36Š|
| 629 | K | 78.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 94.7 Ų | 94.7 | 27% | 0.265 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.2 | -10.8 | 178.1 | -62 | -153.1 | 175.5 | -170.9 | 0 | 114.3 | E7 G627 N631 I632 | E7-K629 WeakPolarHBondContact OE2-CE 3.37Å; E7-K629 IonicContact OE2-NZ 3.39Å; E7-K629 PolarHBondContact OE2-NZ 3.22Å; G627-K629 PolarHBondContact O-N 2.98Å; G627-K629 VanDerWaalsContact O-N 3.12Å; K629-N631 PolarHBondContact O-N 2.98Å; K629-N631 VanDerWaalsContact O-N 3.17Å; K629-I632 HydrophobicContact CB-CD1 3.66Å; K629-I632 HydrophobicContact CB-CG1 4.44Å; K629-I632 HydrophobicContact CD-CD1 4.05Å; K629-I632 HydrophobicContact CG-CD1 3.84Å; K629-I632 WeakPolarHBondContact O-CG1 3.18Å; K629-I632 PolarHBondContact O-N 3.5Å |
| 630 | D | 82 | Confident | 81.2 | Confident | 142 Ų | 142 | 94.9 Ų | 94.9 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -27 | -170.4 | -59.7 | -3.4 | 0 | 0 | 0 | 112.2 | G627 | G627-D630 VanDerWaalsContact CA-OD2 3.26Å; G627-D630 WeakPolarHBondContact CA-OD2 3.43Å; G627-D630 VanDerWaalsContact O-CB 3.3Å; G627-D630 WeakPolarHBondContact O-CB 3.44Å; G627-D630 PolarHBondContact O-N 2.88Å |
| 631 | N | 79.5 | Confident | 81.1 | Confident | 108 Ų | 108 | 96.6 Ų | 96.6 | 58% | 0.578 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 17.3 | -175.6 | -152.3 | 34.5 | 0 | 0 | 0 | 114.8 | K629 K633 H634 | K629-N631 PolarHBondContact O-N 2.98Å; K629-N631 VanDerWaalsContact O-N 3.17Å; N631-K633 PolarHBondContact O-N 3.41Å; N631-K633 VanDerWaalsContact O-N 3.07Å; N631-H634 WeakPolarHBondContact ND2-CB 3.32Å; N631-H634 WeakPolarHBondContact O-CB 3.4Å; N631-H634 PolarHBondContact O-N 3.22Å; N631-H634 VanDerWaalsContact OD1-CB 3.3Å; N631-H634 WeakPolarHBondContact OD1-CB 3.48Å |
| 632 | I | 83.4 | Confident | 81 | Confident | 104 Ų | 104 | 98.1 Ų | 98.1 | 53% | 0.533 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -27.1 | -179.7 | -70.8 | 169.3 | 0 | 0 | 0 | 112.7 | K629 H634 | K629-I632 HydrophobicContact CB-CD1 3.66Å; K629-I632 HydrophobicContact CB-CG1 4.44Å; K629-I632 HydrophobicContact CD-CD1 4.05Å; K629-I632 HydrophobicContact CG-CD1 3.84Å; K629-I632 WeakPolarHBondContact O-CG1 3.18Å; K629-I632 PolarHBondContact O-N 3.5Å; I632-H634 VanDerWaalsContact C-N 3.28Å; I632-H634 PolarHBondContact O-N 3.03Å |
| 633 | K | 86.7 | Confident | 80.9 | Confident | 204 Ų | 204 | 96.7 Ų | 96.7 | 89% | 0.887 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -4.1 | -179.8 | -60.9 | -178.3 | -178.5 | 179.2 | 0 | 114.1 | N631 V635 | N631-K633 PolarHBondContact O-N 3.41Å; N631-K633 VanDerWaalsContact O-N 3.07Å; K633-V635 PolarHBondContact O-N 2.84Å |
| 634 | H | 85.3 | Confident | 80.9 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 51% | 0.514 | 59% | 0.585 | S | S | . | * | | | trans | -83.4 | 99.5 | 179.5 | 178.9 | 79.4 | 0 | 0 | 0 | 111 | N631 I632 P636 | N631-H634 WeakPolarHBondContact ND2-CB 3.32Å; N631-H634 WeakPolarHBondContact O-CB 3.4Å; N631-H634 PolarHBondContact O-N 3.22Å; N631-H634 VanDerWaalsContact OD1-CB 3.3Å; N631-H634 WeakPolarHBondContact OD1-CB 3.48Å; I632-H634 VanDerWaalsContact C-N 3.28Å; I632-H634 PolarHBondContact O-N 3.03Å; H634-P636 WeakPolarHBondContact O-CD 3.47Å |
| 635 | V | 82.4 | Confident | 80.9 | Confident | 128 Ų | 128 | 102.9 Ų | 102.9 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | | | trans | -69.1 | 119.6 | 156.1 | -178 | 0 | 0 | 0 | 0 | 106.9 | K633 G637 | K633-V635 PolarHBondContact O-N 2.84Å; V635-G637 PolarHBondContact O-N 3.33Å |
| 636 | P | 82 | Confident | 80.9 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 63% | 0.63 | 59% | 0.587 | S | S | * | * | | | trans | -65.4 | 130.2 | 177.2 | 27.3 | -33.6 | 0 | 0 | 0 | 109.8 | H634 G638 | H634-P636 WeakPolarHBondContact O-CD 3.47Å; P636-G638 PolarHBondContact O-N 3.45Å; P636-G638 VanDerWaalsContact O-N 3.07Å |
| 637 | G | 82.6 | Confident | 81.2 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | | | trans | -65.9 | 107 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V635 | V635-G637 PolarHBondContact O-N 3.33Š|
| 638 | G | 81 | Confident | 81.4 | Confident | 65 Ų | 65 | 103.5 Ų | 103.5 | 67% | 0.67 | 61% | 0.611 | S | S | * | * | | | trans | -95.8 | 147.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P636 S640 | P636-G638 PolarHBondContact O-N 3.45Å; P636-G638 VanDerWaalsContact O-N 3.07Å; G638-S640 PolarHBondContact O-N 3.11Å |
| 639 | G | 76.5 | Confident | 81.7 | Confident | 77 Ų | 77 | 105.6 Ų | 105.6 | 79% | 0.794 | 62% | 0.616 | S | S | * | * | | | trans | -71.2 | 117.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | V641 | G639-V641 PolarHBondContact O-N 2.97Š|
| 640 | S | 70.6 | Confident | 81.9 | Confident | 130 Ų | 130 | 108.7 Ų | 108.7 | 91% | 0.909 | 64% | 0.635 | S | S | * | * | | | trans | -71 | 95.2 | 173.2 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | G638 | G638-S640 PolarHBondContact O-N 3.11Š|
| 641 | V | 79.4 | Confident | 81.6 | Confident | 116 Ų | 116 | 105.8 Ų | 105.8 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | | | trans | -99.7 | 118.7 | 168.5 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | S355 G639 | S355-V641 PolarHBondContact OG-O 3.17Å; G639-V641 PolarHBondContact O-N 2.97Å |
| 642 | Q | 81.7 | Confident | 81.4 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 50% | 0.495 | 64% | 0.638 | S | S | . | * | | | trans | -91.3 | 115.5 | 177.9 | -177.8 | 173.3 | -2.6 | 0 | 0 | 109.7 | P352 E353 | P352-Q642 PolarHBondContact O-NE2 3.1Å; E353-Q642 VanDerWaalsContact CA-NE2 3.33Å; E353-Q642 VanDerWaalsContact O-CG 3.22Å; E353-Q642 WeakPolarHBondContact O-CG 3.34Å; E353-Q642 PolarHBondContact O-NE2 3.32Å |
| 643 | I | 80.9 | Confident | 81.2 | Confident | 74 Ų | 74 | 110.6 Ų | 110.6 | 38% | 0.379 | 65% | 0.648 | S | S | . | * | | | trans | -87.3 | 139 | 168.2 | -61.9 | 179.7 | 0 | 0 | 0 | 108.1 | P354 S355 E356 | P354-I643 CarbonylContact C-O 3.5Å; P354-I643 VanDerWaalsContact CA-O 3.31Å; P354-I643 WeakPolarHBondContact CA-O 3.5Å; P354-I643 VanDerWaalsContact O-O 3.13Å; S355-I643 WeakPolarHBondContact OG-CG1 3.39Å; S355-I643 PolarHBondContact OG-N 3.11Å; E356-I643 HydrophobicContact CB-CD1 4.21Å; E356-I643 HydrophobicContact CG-CD1 3.8Å |
| 644 | V | 83 | Confident | 80.6 | Confident | 56 Ų | 56 | 106.7 Ų | 106.7 | 34% | 0.339 | 64% | 0.641 | S | S | . | * | | | trans | -109.3 | 129.7 | -176.8 | -123 | 0 | 0 | 0 | 0 | 108.1 | E53 | E53-V644 HydrophobicContact CB-CB 3.84Å; E53-V644 HydrophobicContact CB-CG1 4.27Å |
| 645 | Y | 84.6 | Confident | 80.1 | Confident | 156 Ų | 156 | 106.3 Ų | 106.3 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | | | trans | -138 | 117.7 | -172.4 | 157.7 | -105.2 | 0 | 0 | 0 | 112.8 | T52 E53 | T52-Y645 WeakPolarHBondContact CB-O 3.12Å; T52-Y645 WeakPolarHBondContact CG2-O 3.41Å; E53-Y645 VanDerWaalsContact CB-N 3.31Å; E53-Y645 WeakPolarHBondContact OE1-CA 3.29Å |
| 646 | K | 86.2 | Confident | 79.8 | Confident | 75 Ų | 75 | 110.3 Ų | 110.3 | 33% | 0.326 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -100.4 | 129.8 | 175.3 | -85 | 177.4 | -110.3 | -71.2 | 0 | 110.8 | T52 E53 D54 | T52-K646 VanDerWaalsContact C-CG 3.43Å; T52-K646 WeakPolarHBondContact O-CG 3.2Å; T52-K646 PolarHBondContact O-NZ 3.01Å; T52-K646 WeakPolarHBondContact OG1-CG 3.27Å; E53-K646 HydrophobicContact CB-CB 4.15Å; E53-K646 HydrophobicContact CB-CG 3.81Å; E53-K646 HydrophobicContact CG-CB 3.61Å; E53-K646 HydrophobicContact CG-CD 3.87Å; E53-K646 HydrophobicContact CG-CG 3.49Å; E53-K646 VanDerWaalsContact CG-CG 3.49Å; E53-K646 PolarHBondContact O-NZ 3.05Å; E53-K646 PolarHBondContact OE1-N 3.32Å; D54-K646 VanDerWaalsContact CG-NZ 3.26Å; D54-K646 WeakPolarHBondContact OD1-CE 3.38Å; D54-K646 IonicContact OD1-NZ 2.71Å; D54-K646 PolarHBondContact OD1-NZ 3.4Å; D54-K646 VanDerWaalsContact OD2-CE 3.25Å; D54-K646 WeakPolarHBondContact OD2-CE 3.43Å; D54-K646 IonicContact OD2-NZ 3.68Å; D54-K646 PolarHBondContact OD2-NZ 2.93Å |
| 647 | P | 83.1 | Confident | 79.2 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 52% | 0.519 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 134.1 | 163.8 | 32.7 | -31 | 0 | 0 | 0 | 110.3 | T52 | T52-P647 WeakPolarHBondContact OG1-CD 2.94Š|
| 648 | V | 84 | Confident | 78.3 | Confident | 128 Ų | 128 | 109.6 Ų | 109.6 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 119.4 | 167.2 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 649 | D | 82.9 | Confident | 77.7 | Confident | 115 Ų | 115 | 108.7 Ų | 108.7 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 131.1 | 179.5 | 179.4 | 34.8 | 0 | 0 | 0 | 112.9 | S651 | D649-S651 WeakPolarHBondContact OD1-CB 3.17Å; D649-S651 PolarHBondContact OD1-N 2.67Å; D649-S651 PolarHBondContact OD1-OG 3.23Å; D649-S651 VanDerWaalsContact OD2-CB 3.31Å; D649-S651 WeakPolarHBondContact OD2-CB 3.36Å; D649-S651 PolarHBondContact OD2-OG 2.76Å |
| 650 | L | 82.3 | Confident | 77.2 | Confident | 126 Ų | 126 | 108.2 Ų | 108.2 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | | | trans | -118.1 | 13.6 | 176.6 | -59.5 | 178.5 | 0 | 0 | 0 | 112.9 | K652 V653 | L650-K652 PolarHBondContact O-N 3Å; L650-V653 WeakPolarHBondContact O-CG2 3.17Å; L650-V653 PolarHBondContact O-N 2.83Å |
| 651 | S | 75.9 | Confident | 77.1 | Confident | 81 Ų | 81 | 104 Ų | 104 | 57% | 0.566 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.4 | -21.1 | -174.5 | 59.8 | 0 | 0 | 0 | 0 | 117.4 | D649 | D649-S651 WeakPolarHBondContact OD1-CB 3.17Å; D649-S651 PolarHBondContact OD1-N 2.67Å; D649-S651 PolarHBondContact OD1-OG 3.23Å; D649-S651 VanDerWaalsContact OD2-CB 3.31Å; D649-S651 WeakPolarHBondContact OD2-CB 3.36Å; D649-S651 PolarHBondContact OD2-OG 2.76Å |
| 652 | K | 75.7 | Confident | 76.4 | Confident | 191 Ų | 191 | 103.4 Ų | 103.4 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -4.7 | -177.4 | -66.7 | 161.5 | -171.8 | 162.1 | 0 | 113.6 | L650 | L650-K652 PolarHBondContact O-N 3Š|
| 653 | V | 77.6 | Confident | 75.8 | Confident | 122 Ų | 122 | 103.7 Ų | 103.7 | 74% | 0.739 | 59% | 0.586 | S | S | * | * | | | trans | -82.9 | 116 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | L650 | L650-V653 WeakPolarHBondContact O-CG2 3.17Å; L650-V653 PolarHBondContact O-N 2.83Å |
| 654 | T | 75.7 | Confident | 75.5 | Confident | 122 Ų | 122 | 107.7 Ų | 107.7 | 75% | 0.748 | 60% | 0.602 | S | S | * | * | | | trans | -115.3 | 130.8 | 177.3 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 655 | S | 75 | Confident | 75.2 | Confident | 103 Ų | 103 | 112 Ų | 112 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | | | trans | -77.4 | 140.8 | 178.2 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 656 | K | 74.8 | Confident | 74.8 | Confident | 213 Ų | 213 | 113.6 Ų | 113.6 | 93% | 0.926 | 63% | 0.629 | S | S | * | * | | | trans | -98.5 | 10.2 | 175.4 | -64 | -170.3 | 177.6 | -177.6 | 0 | 114.6 | | |
| 657 | C | 70.7 | Confident | 74.1 | Confident | 107 Ų | 107 | 115.2 Ų | 115.2 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | | | trans | -76.3 | 139.8 | 173.7 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 658 | G | 63.7 | Low | 73.6 | Confident | 58 Ų | 58 | 115.5 Ų | 115.5 | 60% | 0.598 | 67% | 0.665 | S | S | * | * | | | trans | -177.5 | 66.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 659 | S | 67.3 | Low | 73.1 | Confident | 46 Ų | 46 | 113.5 Ų | 113.5 | 32% | 0.322 | 67% | 0.669 | S | S | . | * | | | trans | -77 | 146.7 | 149.6 | 60.7 | 0 | 0 | 0 | 0 | 108.9 | E320 H321 L322 | E320-S659 WeakPolarHBondContact OE1-CB 3.32Å; E320-S659 PolarHBondContact OE1-OG 2.74Å; H321-S659 CarbonylContact C-O 3.56Å; H321-S659 WeakPolarHBondContact CA-O 3.25Å; H321-S659 WeakPolarHBondContact CB-O 3.32Å; L322-S659 PolarHBondContact N-O 3.09Å |
| 660 | L | 65.9 | Low | 72.3 | Confident | 68 Ų | 68 | 111.7 Ų | 111.7 | 36% | 0.356 | 68% | 0.678 | S | S | . | * | | | trans | -136.4 | 87.9 | 159 | -151.8 | -147.9 | 0 | 0 | 0 | 110.1 | H321 G323 I663 | H321-L660 HydrophobicContact CB-CD2 3.98Å; H321-L660 HydrophobicContact CB-CG 4.35Å; G323-L660 WeakPolarHBondContact O-CD1 3.26Å; L660-I663 HydrophobicContact CD1-CD1 3.88Å; L660-I663 HydrophobicContact CD2-CB 4.37Å; L660-I663 HydrophobicContact CD2-CD1 3.79Å; L660-I663 HydrophobicContact CD2-CG1 3.65Å; L660-I663 HydrophobicContact CD2-CG2 4.04Å |
| 661 | G | 68.2 | Low | 71.4 | Confident | 40 Ų | 40 | 111.3 Ų | 111.3 | 41% | 0.412 | 67% | 0.673 | S | S | . | * | | | trans | -96.4 | -66.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H321 | H321-G661 PolarHBondContact CD2-N 2.72Š|
| 662 | N | 64.7 | Low | 71.1 | Confident | 104 Ų | 104 | 112.4 Ų | 112.4 | 56% | 0.556 | 68% | 0.676 | S | S | * | * | | | trans | -108.8 | 23 | -142.8 | -56.4 | -52.7 | 0 | 0 | 0 | 117.1 | H321 H664 | H321-N662 PolarHBondContact CD2-N 2.87Å; H321-N662 WeakPolarHBondContact NE2-CB 3.33Å; H321-N662 PolarHBondContact NE2-N 3.47Å; H321-N662 PolarHBondContact NE2-ND2 3.28Å; N662-H664 PolarHBondContact O-N 2.74Å |
| 663 | I | 69 | Low | 71.1 | Confident | 113 Ų | 113 | 108.3 Ų | 108.3 | 58% | 0.579 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -5.5 | 174.7 | 44.9 | 175.9 | 0 | 0 | 0 | 115.3 | L660 | L660-I663 HydrophobicContact CD1-CD1 3.88Å; L660-I663 HydrophobicContact CD2-CB 4.37Å; L660-I663 HydrophobicContact CD2-CD1 3.79Å; L660-I663 HydrophobicContact CD2-CG1 3.65Å; L660-I663 HydrophobicContact CD2-CG2 4.04Å |
| 664 | H | 75.9 | Confident | 70.7 | Confident | 157 Ų | 157 | 108 Ų | 108 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 7.6 | -173 | -56.9 | 122.6 | 0 | 0 | 0 | 115.1 | N662 | N662-H664 PolarHBondContact O-N 2.74Š|
| 665 | H | 76 | Confident | 70.4 | Confident | 147 Ų | 147 | 106.7 Ų | 106.7 | 68% | 0.681 | 64% | 0.642 | S | S | * | * | | | trans | -71.2 | 129.2 | 174.7 | 179.9 | -105 | 0 | 0 | 0 | 112.2 | | |
| 666 | K | 75.6 | Confident | 70.2 | Confident | 189 Ų | 189 | 105.6 Ų | 105.6 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | | | trans | -121.1 | 113.2 | 170.7 | -67.7 | -65.6 | -173.3 | -178.4 | 0 | 109.3 | | |
| 667 | P | 71.5 | Confident | 70.3 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 71% | 0.714 | 62% | 0.619 | S | S | * | * | | | trans | -71.4 | 138.4 | 177.3 | 29.1 | -33.5 | 0 | 0 | 0 | 111.1 | | |
| 668 | G | 73.6 | Confident | 70.2 | Confident | 86 Ų | 86 | 104.7 Ų | 104.7 | 89% | 0.887 | 62% | 0.62 | S | S | * | * | | | trans | -99.9 | 127.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 669 | G | 73 | Confident | 70.7 | Confident | 85 Ų | 85 | 107 Ų | 107 | 88% | 0.876 | 62% | 0.618 | S | S | * | * | | | trans | 177.5 | 156.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 670 | G | 66.5 | Low | 70.8 | Confident | 77 Ų | 77 | 109.6 Ų | 109.6 | 79% | 0.794 | 63% | 0.629 | S | S | * | * | | | trans | 134.1 | -0.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | V672 | G670-V672 PolarHBondContact O-N 2.79Š|
| 671 | Q | 63.3 | Low | 71 | Confident | 119 Ų | 119 | 112.4 Ų | 112.4 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | | | trans | -78.1 | 21.6 | -171.7 | -153.3 | 97.4 | 57.8 | 0 | 0 | 115.4 | G28 | G28-Q671 VanDerWaalsContact CA-O 3.32Å; G28-Q671 WeakPolarHBondContact CA-O 3.3Å; G28-Q671 PolarHBondContact N-O 2.66Å |
| 672 | V | 70 | Confident | 71 | Confident | 104 Ų | 104 | 118.1 Ų | 118.1 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | | | trans | -140.4 | 106.4 | -176 | -173.6 | 0 | 0 | 0 | 0 | 111 | G670 | G670-V672 PolarHBondContact O-N 2.79Š|
| 673 | E | 74.3 | Confident | 71.1 | Confident | 105 Ų | 105 | 120.4 Ų | 120.4 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | | | trans | -73 | 161 | 168.9 | 179.8 | 179.4 | 148.3 | 0 | 0 | 111.4 | K24 D25 Q26 | K24-E673 PolarHBondContact N-OE1 3.17Å; D25-E673 PolarHBondContact N-OE1 3.28Å; D25-E673 WeakPolarHBondContact O-CB 3.45Å; D25-E673 WeakPolarHBondContact O-CG 3.4Å; Q26-E673 WeakPolarHBondContact CA-O 3.46Å; Q26-E673 VanDerWaalsContact CG-O 3.29Å; Q26-E673 WeakPolarHBondContact CG-O 3.37Å; Q26-E673 PolarHBondContact N-O 3.29Å |
| 674 | V | 69.8 | Low | 71.2 | Confident | 116 Ų | 116 | 125.7 Ų | 125.7 | 70% | 0.703 | 68% | 0.676 | S | S | * | * | | | trans | -129.1 | 125.9 | -176.8 | -179.8 | 0 | 0 | 0 | 0 | 112.7 | S676 | V674-S676 PolarHBondContact O-N 2.57Å; V674-S676 VanDerWaalsContact O-N 3.1Å |
| 675 | K | 70.7 | Confident | 71.1 | Confident | 93 Ų | 93 | 123.5 Ų | 123.5 | 40% | 0.404 | 67% | 0.674 | S | S | . | * | | | trans | -73.9 | 88.8 | -177.6 | -124.1 | -171.4 | -172.5 | 138.5 | 0 | 113.7 | K24 D25 | K24-K675 HydrophobicContact CB-CD 4.26Å; K24-K675 HydrophobicContact CB-CG 3.52Å; K24-K675 HydrophobicContact CD-CB 4.47Å; K24-K675 HydrophobicContact CD-CD 4.19Å; K24-K675 HydrophobicContact CD-CG 3.7Å; K24-K675 VanDerWaalsContact CE-C 3.41Å; K24-K675 WeakPolarHBondContact CE-O 2.99Å; K24-K675 HydrophobicContact CG-CB 4.41Å; K24-K675 HydrophobicContact CG-CG 3.67Å; K24-K675 WeakPolarHBondContact O-CE 3.41Å; D25-K675 HydrophobicContact CB-CD 3.87Å; D25-K675 HydrophobicContact CB-CG 3.77Å; D25-K675 VanDerWaalsContact CG-CE 3.42Å; D25-K675 VanDerWaalsContact CG-CG 3.42Å; D25-K675 VanDerWaalsContact CG-NZ 3.27Å; D25-K675 WeakPolarHBondContact OD1-CB 3.44Å; D25-K675 VanDerWaalsContact OD1-CD 3.26Å; D25-K675 WeakPolarHBondContact OD1-CD 3.36Å; D25-K675 WeakPolarHBondContact OD1-CG 3.11Å; D25-K675 VanDerWaalsContact OD2-CD 3.24Å; D25-K675 WeakPolarHBondContact OD2-CD 3.4Å; D25-K675 VanDerWaalsContact OD2-CE 3.28Å; D25-K675 WeakPolarHBondContact OD2-CE 3.09Å; D25-K675 IonicContact OD2-NZ 3.76Å; D25-K675 PolarHBondContact OD2-NZ 2.95Å |
| 676 | S | 69.8 | Low | 71.1 | Confident | 81 Ų | 81 | 124.5 Ų | 124.5 | 57% | 0.566 | 68% | 0.679 | S | S | * | * | | | trans | -86.5 | 123.6 | 170 | 77.5 | 0 | 0 | 0 | 0 | 113.3 | K24 V674 | K24-S676 WeakPolarHBondContact CD-O 3.4Å; K24-S676 WeakPolarHBondContact CE-O 3.45Å; K24-S676 WeakPolarHBondContact CG-O 3.5Å; V674-S676 PolarHBondContact O-N 2.57Å; V674-S676 VanDerWaalsContact O-N 3.1Å |
| 677 | E | 76.4 | Confident | 71.4 | Confident | 127 Ų | 127 | 120.1 Ų | 120.1 | 59% | 0.593 | 67% | 0.672 | S | S | * | * | | | trans | -123.9 | 112.3 | 177.3 | 156.5 | 170.7 | 179.7 | 0 | 0 | 109.8 | K24 L679 | K24-E677 HydrophobicContact CD-CB 3.9Å; K24-E677 IonicContact NZ-OE2 2.71Å; K24-E677 PolarHBondContact NZ-OE2 2.98Å; E677-L679 HydrophobicContact CG-CD2 3.98Å; E677-L679 HydrophobicContact CG-CG 3.97Å; E677-L679 PolarHBondContact O-N 3.33Å |
| 678 | K | 69.7 | Low | 72 | Confident | 173 Ų | 173 | 125.2 Ų | 125.2 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | | | trans | -90.9 | 88.6 | -175.2 | -60.1 | 177.2 | -176.3 | 177.3 | 0 | 107.5 | D680 | K678-D680 VanDerWaalsContact C-N 3.31Å; K678-D680 PolarHBondContact O-N 3.34Å |
| 679 | L | 73.4 | Confident | 72.1 | Confident | 108 Ų | 108 | 127.4 Ų | 127.4 | 57% | 0.565 | 67% | 0.673 | S | S | * | * | | | trans | -77.7 | 83.6 | 172 | -66.1 | -178.1 | 0 | 0 | 0 | 109.6 | E677 F681 | E677-L679 HydrophobicContact CG-CD2 3.98Å; E677-L679 HydrophobicContact CG-CG 3.97Å; E677-L679 PolarHBondContact O-N 3.33Å; L679-F681 HydrophobicContact CB-CD2 4.05Å; L679-F681 HydrophobicContact CB-CE2 3.56Å; L679-F681 HydrophobicContact CB-CZ 4.2Å; L679-F681 HydrophobicContact CD1-CE2 4Å; L679-F681 HydrophobicContact CD1-CZ 4.2Å; L679-F681 HydrophobicContact CG-CE2 4.39Å; L679-F681 VanDerWaalsContact O-CD2 3.29Å; L679-F681 WeakPolarHBondContact O-CD2 3.3Å; L679-F681 PolarHBondContact O-N 2.92Å; L679-F681 VanDerWaalsContact O-N 3.07Å |
| 680 | D | 70.2 | Confident | 72.4 | Confident | 100 Ų | 100 | 125.4 Ų | 125.4 | 54% | 0.535 | 65% | 0.653 | S | S | . | * | | | trans | -72.7 | 97.2 | 175.3 | -84.2 | -70.2 | 0 | 0 | 0 | 111.3 | K678 K682 | K678-D680 VanDerWaalsContact C-N 3.31Å; K678-D680 PolarHBondContact O-N 3.34Å; D680-K682 WeakPolarHBondContact OD1-CD 3.3Å; D680-K682 WeakPolarHBondContact OD1-CE 3.48Å; D680-K682 IonicContact OD1-NZ 3.21Å; D680-K682 PolarHBondContact OD1-NZ 2.65Å |
| 681 | F | 69.9 | Low | 73 | Confident | 126 Ų | 126 | 126.2 Ų | 126.2 | 55% | 0.553 | 65% | 0.646 | S | S | * | * | | | trans | -88.5 | -1.5 | 176.4 | -73.6 | -70.8 | 0 | 0 | 0 | 114.4 | L679 D683 R684 V685 | L679-F681 HydrophobicContact CB-CD2 4.05Å; L679-F681 HydrophobicContact CB-CE2 3.56Å; L679-F681 HydrophobicContact CB-CZ 4.2Å; L679-F681 HydrophobicContact CD1-CE2 4Å; L679-F681 HydrophobicContact CD1-CZ 4.2Å; L679-F681 HydrophobicContact CG-CE2 4.39Å; L679-F681 VanDerWaalsContact O-CD2 3.29Å; L679-F681 WeakPolarHBondContact O-CD2 3.3Å; L679-F681 PolarHBondContact O-N 2.92Å; L679-F681 VanDerWaalsContact O-N 3.07Å; F681-D683 VanDerWaalsContact C-N 3.35Å; F681-D683 PolarHBondContact O-N 3.32Å; F681-R684 PolarHBondContact O-N 3.44Å; F681-V685 HydrophobicContact CB-CG2 3.95Å; F681-V685 PolarHBondContact O-N 2.61Å |
| 682 | K | 66.9 | Low | 73.7 | Confident | 160 Ų | 160 | 126 Ų | 126 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -45.5 | -51.4 | -168.8 | -69.1 | 164.1 | 179.7 | 149.4 | 0 | 113.5 | D680 R684 | D680-K682 WeakPolarHBondContact OD1-CD 3.3Å; D680-K682 WeakPolarHBondContact OD1-CE 3.48Å; D680-K682 IonicContact OD1-NZ 3.21Å; D680-K682 PolarHBondContact OD1-NZ 2.65Å; K682-R684 PolarHBondContact O-N 2.98Å |
| 683 | D | 67.2 | Low | 74.3 | Confident | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -87.9 | -5.4 | -172 | -45.2 | -44.6 | 0 | 0 | 0 | 114 | F681 | F681-D683 VanDerWaalsContact C-N 3.35Å; F681-D683 PolarHBondContact O-N 3.32Å |
| 684 | R | 71.9 | Confident | 74.5 | Confident | 223 Ų | 223 | 128.5 Ų | 128.5 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -110 | -6.8 | -174.4 | -66.1 | -170.4 | 177.1 | -152.2 | -0.5 | 114.3 | F681 K682 | F681-R684 PolarHBondContact O-N 3.44Å; K682-R684 PolarHBondContact O-N 2.98Å |
| 685 | V | 74.3 | Confident | 75.1 | Confident | 111 Ų | 111 | 129.2 Ų | 129.2 | 67% | 0.673 | 66% | 0.66 | S | S | * | * | | | trans | -100.8 | 91.9 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | F681 | F681-V685 HydrophobicContact CB-CG2 3.95Å; F681-V685 PolarHBondContact O-N 2.61Å |
| 686 | Q | 76.2 | Confident | 75.6 | Confident | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | | | trans | -93.7 | 144.3 | 172.2 | -66.7 | -177.6 | -9 | 0 | 0 | 111.7 | | |
| 687 | S | 80 | Confident | 76.3 | Confident | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | | | trans | -71.2 | 126.2 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | I689 | S687-I689 PolarHBondContact O-N 2.71Å; S687-I689 VanDerWaalsContact O-N 3.12Å |
| 688 | K | 84.4 | Confident | 76.5 | Confident | 216 Ų | 216 | 133.4 Ų | 133.4 | 94% | 0.939 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -83.9 | 29.3 | 177.7 | -61.2 | -178.8 | -179 | 175.8 | 0 | 113 | | |
| 689 | I | 75.7 | Confident | 76.9 | Confident | 133 Ų | 133 | 130.1 Ų | 130.1 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -130.3 | 123.7 | -172.1 | -57.5 | 177.1 | 0 | 0 | 0 | 108.4 | S687 S691 | S687-I689 PolarHBondContact O-N 2.71Å; S687-I689 VanDerWaalsContact O-N 3.12Å; I689-S691 PolarHBondContact O-N 3.49Å |
| 690 | G | 80.5 | Confident | 77 | Confident | 43 Ų | 43 | 129.3 Ų | 129.3 | 44% | 0.443 | 70% | 0.702 | S | S | . | * | | | trans | -73.5 | 60.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L692 D693 | G690-L692 PolarHBondContact O-N 2.8Å; G690-D693 WeakPolarHBondContact CA-OD1 3.47Å; G690-D693 PolarHBondContact O-N 3.19Å |
| 691 | S | 77.9 | Confident | 77.4 | Confident | 94 Ų | 94 | 126.9 Ų | 126.9 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -19.9 | -178.8 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | I689 | I689-S691 PolarHBondContact O-N 3.49Š|
| 692 | L | 79 | Confident | 77.5 | Confident | 115 Ų | 115 | 124.6 Ų | 124.6 | 60% | 0.602 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 5.6 | -176.5 | -54.2 | -175.9 | 0 | 0 | 0 | 113.6 | G690 N694 I695 | G690-L692 PolarHBondContact O-N 2.8Å; L692-N694 PolarHBondContact O-N 2.82Å; L692-I695 HydrophobicContact CB-CB 4.46Å; L692-I695 HydrophobicContact CB-CG2 4.45Å; L692-I695 HydrophobicContact CD2-CD1 4.43Å; L692-I695 VanDerWaalsContact O-CB 3.31Å; L692-I695 WeakPolarHBondContact O-CB 2.91Å; L692-I695 WeakPolarHBondContact O-CG2 3.31Å; L692-I695 PolarHBondContact O-N 3.07Å |
| 693 | D | 82.4 | Confident | 77.5 | Confident | 123 Ų | 123 | 124.8 Ų | 124.8 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -21 | -172.2 | -67.5 | 5.3 | 0 | 0 | 0 | 114.3 | G690 | G690-D693 WeakPolarHBondContact CA-OD1 3.47Å; G690-D693 PolarHBondContact O-N 3.19Å |
| 694 | N | 79 | Confident | 77.8 | Confident | 138 Ų | 138 | 126.9 Ų | 126.9 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 7 | 179 | -63.4 | -78.2 | 0 | 0 | 0 | 114.2 | L692 T696 H697 | L692-N694 PolarHBondContact O-N 2.82Å; N694-T696 PolarHBondContact O-N 3.26Å; N694-H697 WeakPolarHBondContact O-CB 3Å; N694-H697 PolarHBondContact O-N 2.84Å; N694-H697 VanDerWaalsContact O-N 3.08Å |
| 695 | I | 82.1 | Confident | 78 | Confident | 130 Ų | 130 | 124.9 Ų | 124.9 | 67% | 0.667 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -21.6 | -175 | -161.7 | 173 | 0 | 0 | 0 | 113.5 | L692 H697 | L692-I695 HydrophobicContact CB-CB 4.46Å; L692-I695 HydrophobicContact CB-CG2 4.45Å; L692-I695 HydrophobicContact CD2-CD1 4.43Å; L692-I695 VanDerWaalsContact O-CB 3.31Å; L692-I695 WeakPolarHBondContact O-CB 2.91Å; L692-I695 WeakPolarHBondContact O-CG2 3.31Å; L692-I695 PolarHBondContact O-N 3.07Å; I695-H697 VanDerWaalsContact C-N 3.29Å; I695-H697 PolarHBondContact O-N 3.16Å |
| 696 | T | 81.3 | Confident | 78.1 | Confident | 121 Ų | 121 | 126.5 Ų | 126.5 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 1 | 179.2 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | N694 V698 | N694-T696 PolarHBondContact O-N 3.26Å; T696-V698 PolarHBondContact O-N 2.77Å; T696-V698 VanDerWaalsContact O-N 3.08Å |
| 697 | H | 83.3 | Confident | 77.9 | Confident | 145 Ų | 145 | 125.1 Ų | 125.1 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | | | trans | -74.5 | 95.9 | 177.4 | 177.1 | -80.8 | 0 | 0 | 0 | 112.1 | N694 I695 | N694-H697 WeakPolarHBondContact O-CB 3Å; N694-H697 PolarHBondContact O-N 2.84Å; N694-H697 VanDerWaalsContact O-N 3.08Å; I695-H697 VanDerWaalsContact C-N 3.29Å; I695-H697 PolarHBondContact O-N 3.16Å |
| 698 | V | 81 | Confident | 77.5 | Confident | 124 Ų | 124 | 126 Ų | 126 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | | | trans | -76.5 | 128.3 | 168.7 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | T696 G700 | T696-V698 PolarHBondContact O-N 2.77Å; T696-V698 VanDerWaalsContact O-N 3.08Å; V698-G700 PolarHBondContact O-N 3.29Å |
| 699 | P | 79.3 | Confident | 76.9 | Confident | 103 Ų | 103 | 122.8 Ų | 122.8 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | | | trans | -68.9 | 112.6 | -178.1 | 27.1 | -34.3 | 0 | 0 | 0 | 112.1 | G701 | P699-G701 PolarHBondContact O-N 2.67Š|
| 700 | G | 75.6 | Confident | 76.6 | Confident | 92 Ų | 92 | 125.2 Ų | 125.2 | 95% | 0.948 | 71% | 0.713 | S | S | * | * | | | trans | -72.6 | 42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V698 | V698-G700 PolarHBondContact O-N 3.29Š|
| 701 | G | 78.1 | Confident | 76 | Confident | 48 Ų | 48 | 129 Ų | 129 | 50% | 0.495 | 72% | 0.722 | S | S | . | * | | | trans | -99.4 | -174.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P699 N703 | P699-G701 PolarHBondContact O-N 2.67Å; G701-N703 PolarHBondContact O-N 2.92Å |
| 702 | G | 70.7 | Confident | 75.4 | Confident | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 74.6 | -46.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | K704 | G702-K704 PolarHBondContact O-N 2.88Š|
| 703 | N | 67.7 | Low | 74.7 | Confident | 163 Ų | 163 | 131.7 Ų | 131.7 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | | | trans | -73.2 | -2.7 | -165 | -62.5 | -4 | 0 | 0 | 0 | 115.5 | G701 K705 | G701-N703 PolarHBondContact O-N 2.92Å; N703-K705 PolarHBondContact O-N 2.83Å |
| 704 | K | 74.5 | Confident | 73.9 | Confident | 197 Ų | 197 | 137.9 Ų | 137.9 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | | | trans | -97.2 | 87.6 | 177.3 | -71.1 | -177.5 | -179.6 | 175.5 | 0 | 110.5 | G702 I706 | G702-K704 PolarHBondContact O-N 2.88Å; K704-I706 PolarHBondContact O-N 3.05Å |
| 705 | K | 75.4 | Confident | 73.2 | Confident | 182 Ų | 182 | 139.7 Ų | 139.7 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | -60 | 117.3 | 171.8 | -172.3 | 179.8 | -176.7 | -176.8 | 0 | 110 | N703 E707 | N703-K705 PolarHBondContact O-N 2.83Å; K705-E707 PolarHBondContact O-N 3.12Å |
| 706 | I | 75.9 | Confident | 72.2 | Confident | 145 Ų | 145 | 140.2 Ų | 140.2 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | | | trans | -81.1 | 110.5 | 171.4 | -59.6 | 177 | 0 | 0 | 0 | 107.8 | K704 T708 | K704-I706 PolarHBondContact O-N 3.05Å; I706-T708 PolarHBondContact O-N 3.21Å |
| 707 | E | 72.6 | Confident | 71.3 | Confident | 139 Ų | 139 | 137.6 Ų | 137.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | trans | -76.5 | 86.1 | 178.6 | -64.5 | -168.4 | 157 | 0 | 0 | 111.3 | K705 H709 | K705-E707 PolarHBondContact O-N 3.12Å; E707-H709 VanDerWaalsContact C-N 3.31Å; E707-H709 PolarHBondContact O-N 3.02Å; E707-H709 PolarHBondContact O-ND1 3.07Å |
| 708 | T | 71.1 | Confident | 70.3 | Confident | 116 Ų | 116 | 139.7 Ų | 139.7 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | trans | -69.4 | 85.6 | 174.5 | 30.3 | 0 | 0 | 0 | 0 | 111.3 | I706 K710 | I706-T708 PolarHBondContact O-N 3.21Å; T708-K710 PolarHBondContact O-N 3.36Å |
| 709 | H | 71.4 | Confident | 69.8 | Low | 148 Ų | 148 | 138.1 Ų | 138.1 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | -66 | 80.1 | 161.7 | -73.7 | 84.6 | 0 | 0 | 0 | 109.8 | E707 L711 | E707-H709 VanDerWaalsContact C-N 3.31Å; E707-H709 PolarHBondContact O-N 3.02Å; E707-H709 PolarHBondContact O-ND1 3.07Å; H709-L711 PolarHBondContact O-N 3.17Å |
| 710 | K | 69.9 | Low | 69.2 | Low | 185 Ų | 185 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -66.1 | 96.8 | 170.2 | -85 | -170.6 | 173.5 | -178 | 0 | 109.2 | T708 T712 | T708-K710 PolarHBondContact O-N 3.36Å; K710-T712 PolarHBondContact O-N 3.07Å |
| 711 | L | 68 | Low | 69 | Low | 122 Ų | 122 | 143.6 Ų | 143.6 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | | | trans | -73.3 | 107.2 | 176.1 | -67.3 | 161.7 | 0 | 0 | 0 | 110.1 | H709 F713 | H709-L711 PolarHBondContact O-N 3.17Å; L711-F713 HydrophobicContact CB-CD2 3.76Å; L711-F713 HydrophobicContact CB-CE1 4.31Å; L711-F713 HydrophobicContact CB-CE2 3.4Å; L711-F713 HydrophobicContact CB-CG 4.38Å; L711-F713 HydrophobicContact CB-CZ 3.71Å; L711-F713 HydrophobicContact CD1-CE2 3.72Å; L711-F713 HydrophobicContact CD1-CZ 3.82Å; L711-F713 HydrophobicContact CD2-CZ 4.08Å; L711-F713 HydrophobicContact CG-CE2 4.07Å; L711-F713 HydrophobicContact CG-CZ 4.07Å; L711-F713 PolarHBondContact O-N 3.42Å |
| 712 | T | 64.9 | Low | 68.5 | Low | 121 Ų | 121 | 148 Ų | 148 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | -80.2 | 56.1 | -174.7 | 42.7 | 0 | 0 | 0 | 0 | 113.2 | K710 R714 | K710-T712 PolarHBondContact O-N 3.07Å; T712-R714 PolarHBondContact O-N 3.37Å |
| 713 | F | 64.3 | Low | 68 | Low | 145 Ų | 145 | 151.2 Ų | 151.2 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 4.2 | -177.8 | -62.7 | -52.6 | 0 | 0 | 0 | 115.8 | L711 A717 | L711-F713 HydrophobicContact CB-CD2 3.76Å; L711-F713 HydrophobicContact CB-CE1 4.31Å; L711-F713 HydrophobicContact CB-CE2 3.4Å; L711-F713 HydrophobicContact CB-CG 4.38Å; L711-F713 HydrophobicContact CB-CZ 3.71Å; L711-F713 HydrophobicContact CD1-CE2 3.72Å; L711-F713 HydrophobicContact CD1-CZ 3.82Å; L711-F713 HydrophobicContact CD2-CZ 4.08Å; L711-F713 HydrophobicContact CG-CE2 4.07Å; L711-F713 HydrophobicContact CG-CZ 4.07Å; L711-F713 PolarHBondContact O-N 3.42Å; F713-A717 WeakPolarHBondContact O-CB 3.4Å |
| 714 | R | 65.8 | Low | 67.8 | Low | 253 Ų | 253 | 147.3 Ų | 147.3 | 96% | 0.955 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -15.5 | -171.7 | -73.7 | -175.6 | 68.1 | 164.3 | -1.2 | 115.9 | T712 | T712-R714 PolarHBondContact O-N 3.37Š|
| 715 | E | 64.5 | Low | 67.4 | Low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | -43.9 | -171.9 | -170.1 | 171 | -154.7 | 0 | 0 | 113 | | |
| 716 | N | 61.9 | Low | 67.1 | Low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -86.8 | -3 | 179.6 | -76.8 | -72 | 0 | 0 | 0 | 114.4 | K718 | N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 PolarHBondContact O-N 3.22Å |
| 717 | A | 60.8 | Low | 66.8 | Low | 66 Ų | 66 | 140.8 Ų | 140.8 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | | | trans | -82.5 | 71.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F713 A719 | F713-A717 WeakPolarHBondContact O-CB 3.4Å; A717-A719 PolarHBondContact O-N 3.39Å |
| 718 | K | 63.8 | Low | 66.5 | Low | 189 Ų | 189 | 139.3 Ų | 139.3 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | trans | -63.5 | 125.3 | 165.7 | -72 | -164.6 | 175.2 | -171.4 | 0 | 109.7 | N716 K720 | N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 PolarHBondContact O-N 3.22Å; K718-K720 PolarHBondContact O-N 3.06Å |
| 719 | A | 69.6 | Low | 66 | Low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | | | trans | -63 | 102.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A717 T721 | A717-A719 PolarHBondContact O-N 3.39Å; A719-T721 PolarHBondContact O-N 3.34Å |
| 720 | K | 67.7 | Low | 65.5 | Low | 207 Ų | 207 | 144.9 Ų | 144.9 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | | | trans | -81.8 | 47.4 | 167.9 | -69.7 | -170.5 | 175 | -174.9 | 0 | 111 | K718 D722 | K718-K720 PolarHBondContact O-N 3.06Å; K720-D722 VanDerWaalsContact C-N 3.29Å; K720-D722 PolarHBondContact O-N 3.27Å; K720-D722 VanDerWaalsContact O-N 3.16Å |
| 721 | T | 71.2 | Confident | 64.7 | Low | 103 Ų | 103 | 139.4 Ų | 139.4 | 63% | 0.632 | 73% | 0.728 | S | S | * | * | | | trans | -85.3 | 79.6 | 171.5 | -51.3 | 0 | 0 | 0 | 0 | 107.9 | A719 H723 | A719-T721 PolarHBondContact O-N 3.34Å; T721-H723 PolarHBondContact O-N 2.7Å; T721-H723 PolarHBondContact O-ND1 2.89Å |
| 722 | D | 67.1 | Low | 64.1 | Low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | -55.9 | 135.1 | 160.5 | -172.3 | 14.8 | 0 | 0 | 0 | 108.4 | K720 G724 | K720-D722 VanDerWaalsContact C-N 3.29Å; K720-D722 PolarHBondContact O-N 3.27Å; K720-D722 VanDerWaalsContact O-N 3.16Å; D722-G724 PolarHBondContact O-N 2.77Å |
| 723 | H | 58.9 | Low | 63 | Low | 146 Ų | 146 | 139.7 Ų | 139.7 | 68% | 0.676 | 74% | 0.736 | S | S | * | * | | | trans | -82.3 | 79.1 | -179.5 | -61.7 | 22.3 | 0 | 0 | 0 | 106.1 | T721 A725 | T721-H723 PolarHBondContact O-N 2.7Å; T721-H723 PolarHBondContact O-ND1 2.89Å; H723-A725 CarbonylContact O-C 3.25Å; H723-A725 PolarHBondContact O-N 2.84Å; H723-A725 VanDerWaalsContact O-O 3.12Å |
| 724 | G | 63.9 | Low | 62.5 | Low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -65.5 | 27.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117 | D722 | D722-G724 PolarHBondContact O-N 2.77Š|
| 725 | A | 67.2 | Low | 61.6 | Low | 67 Ų | 67 | 132.1 Ų | 132.1 | 55% | 0.554 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -136.7 | 129 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108 | H723 I727 | H723-A725 CarbonylContact O-C 3.25Å; H723-A725 PolarHBondContact O-N 2.84Å; H723-A725 VanDerWaalsContact O-O 3.12Å; A725-I727 WeakPolarHBondContact O-CG1 3.49Å; A725-I727 PolarHBondContact O-N 2.83Å |
| 726 | E | 68.7 | Low | 60.7 | Low | 184 Ų | 184 | 126.4 Ų | 126.4 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | | | trans | -68.3 | 91.4 | 173 | -66.1 | -174.7 | 152.1 | 0 | 0 | 109.9 | V728 | E726-V728 VanDerWaalsContact C-N 3.25Å; E726-V728 HydrophobicContact CB-CG2 4.32Å; E726-V728 PolarHBondContact O-N 3Å |
| 727 | I | 68.5 | Low | 59.6 | Low | 137 Ų | 137 | 127.2 Ų | 127.2 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | | | trans | -77.2 | 76.8 | 179.4 | -43.5 | -175.7 | 0 | 0 | 0 | 109.7 | A725 Y729 | A725-I727 WeakPolarHBondContact O-CG1 3.49Å; A725-I727 PolarHBondContact O-N 2.83Å; I727-Y729 VanDerWaalsContact C-N 3.27Å; I727-Y729 PolarHBondContact O-N 3.34Å |
| 728 | V | 68.4 | Low | 59 | Low | 108 Ų | 108 | 130.4 Ų | 130.4 | 66% | 0.655 | 74% | 0.74 | S | S | * | * | | | trans | -71.6 | 78.3 | 179.1 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | E726 K730 | E726-V728 VanDerWaalsContact C-N 3.25Å; E726-V728 HydrophobicContact CB-CG2 4.32Å; E726-V728 PolarHBondContact O-N 3Å; V728-K730 HydrophobicContact CG1-CD 3.93Å; V728-K730 HydrophobicContact CG1-CG 4.03Å; V728-K730 PolarHBondContact O-N 3.48Å |
| 729 | Y | 59.5 | Low | 58 | Low | 194 Ų | 194 | 126.7 Ų | 126.7 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | | | trans | -81.4 | 82.1 | 177.9 | -164.3 | -111.3 | 0 | 0 | 0 | 112 | I727 S731 | I727-Y729 VanDerWaalsContact C-N 3.27Å; I727-Y729 PolarHBondContact O-N 3.34Å; Y729-S731 VanDerWaalsContact C-N 3.33Å; Y729-S731 WeakPolarHBondContact CD1-OG 3.15Å; Y729-S731 VanDerWaalsContact CE1-OG 3.25Å; Y729-S731 WeakPolarHBondContact CE1-OG 3.31Å; Y729-S731 PolarHBondContact O-N 3.42Å; Y729-S731 VanDerWaalsContact O-N 3.08Å |
| 730 | K | 61.2 | Low | 57.4 | Low | 187 Ų | 187 | 128.2 Ų | 128.2 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | -79.6 | 75.4 | 172 | -77.7 | 166.2 | 59.2 | -179.8 | 0 | 111.3 | V728 | V728-K730 HydrophobicContact CG1-CD 3.93Å; V728-K730 HydrophobicContact CG1-CG 4.03Å; V728-K730 PolarHBondContact O-N 3.48Å |
| 731 | S | 53.8 | Low | 56.9 | Low | 69 Ų | 69 | 129.4 Ų | 129.4 | 48% | 0.483 | 74% | 0.739 | S | S | . | * | | | trans | -88.9 | 133.1 | 165 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | Y729 | Y729-S731 VanDerWaalsContact C-N 3.33Å; Y729-S731 WeakPolarHBondContact CD1-OG 3.15Å; Y729-S731 VanDerWaalsContact CE1-OG 3.25Å; Y729-S731 WeakPolarHBondContact CE1-OG 3.31Å; Y729-S731 PolarHBondContact O-N 3.42Å; Y729-S731 VanDerWaalsContact O-N 3.08Å |
| 732 | P | 54 | Low | 55.8 | Low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | | | trans | -68.3 | 152.6 | 174.2 | -20.7 | 33.7 | 0 | 0 | 0 | 114.5 | | |
| 733 | V | 42.7 | Very low | 55.2 | Low | 134 Ų | 134 | 133.6 Ų | 133.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | 6.4 | 150.5 | 144.1 | -160.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 734 | V | 52.7 | Low | 54.5 | Low | 121 Ų | 121 | 131.7 Ų | 131.7 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | 85 | 97.4 | 177.4 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 735 | S | 47.3 | Very low | 54 | Low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | | 65.1 | 127.6 | 68.1 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 736 | G | 45.6 | Very low | 53.2 | Low | 54 Ų | 54 | 139.2 Ų | 139.2 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | | | trans | 133.9 | 47.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | T738 | G736-T738 PolarHBondContact O-N 3.31Š|
| 737 | D | 39 | Very low | 52.1 | Low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | | 40.8 | 73.9 | 129.8 | -31.4 | -29.7 | 0 | 0 | 0 | 118 | | |
| 738 | T | 48.4 | Very low | 51.1 | Low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -165.1 | 130.1 | 149.6 | 10.1 | 0 | 0 | 0 | 0 | 110.5 | G736 P740 | G736-T738 PolarHBondContact O-N 3.31Å; T738-P740 VanDerWaalsContact O-CD 3.24Å; T738-P740 WeakPolarHBondContact O-CD 3.16Å |
| 739 | S | 42.9 | Very low | 50.1 | Low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -77.1 | 116.4 | -171.5 | -174.1 | 0 | 0 | 0 | 0 | 112.7 | R741 | S739-R741 PolarHBondContact O-N 3.44Å; S739-R741 VanDerWaalsContact O-N 3.11Å |
| 740 | P | 57.3 | Low | 49.9 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -73 | 104.5 | 179.9 | -17 | 33.2 | 0 | 0 | 0 | 111.2 | T738 H742 | T738-P740 VanDerWaalsContact O-CD 3.24Å; T738-P740 WeakPolarHBondContact O-CD 3.16Å; P740-H742 PolarHBondContact O-N 2.82Å |
| 741 | R | 56.2 | Low | 49.5 | Very low | 232 Ų | 232 | 128 Ų | 128 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | | | trans | -70 | 114.1 | 176.1 | -73.7 | 179.2 | 168.8 | 156.7 | -3.5 | 110.1 | S739 | S739-R741 PolarHBondContact O-N 3.44Å; S739-R741 VanDerWaalsContact O-N 3.11Å |
| 742 | H | 49.5 | Very low | 49.7 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | | | trans | -65.4 | 143.7 | -177.8 | -160.8 | -83.7 | 0 | 0 | 0 | 111.9 | P740 | P740-H742 PolarHBondContact O-N 2.82Š|
| 743 | L | 53.5 | Low | 49.5 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -84.3 | 148.7 | -167.5 | -66.1 | 171.3 | 0 | 0 | 0 | 114 | | |
| 744 | S | 44.3 | Very low | 50.1 | Low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 41.1 | 93.7 | 150.4 | 61.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 745 | N | 52.7 | Low | 50.3 | Low | 172 Ų | 172 | 130.4 Ų | 130.4 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | | | trans | -111.8 | 140.8 | 140.3 | -86.7 | -36.6 | 0 | 0 | 0 | 108.4 | | |
| 746 | V | 50.9 | Low | 50.7 | Low | 133 Ų | 133 | 130.3 Ų | 130.3 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -95.9 | 151.2 | -174.7 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 747 | S | 45.5 | Very low | 51.5 | Low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 17.5 | 144.4 | 149.2 | -64.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 748 | S | 48.6 | Very low | 52.9 | Low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | cis | -166.5 | 152.5 | -8.3 | -87.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 749 | T | 47.1 | Very low | 54 | Low | 150 Ų | 150 | 126.6 Ų | 126.6 | 92% | 0.92 | 73% | 0.734 | S | S | * | * | | | trans | -110.8 | 112.8 | 168.2 | 44.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 750 | G | 55.2 | Low | 55.2 | Low | 85 Ų | 85 | 127 Ų | 127 | 88% | 0.876 | 73% | 0.727 | S | S | * | * | | | trans | -99 | 119.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 751 | S | 53.3 | Low | 55.8 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | | | trans | -137.2 | 156 | 159 | -164.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 752 | I | 56.6 | Low | 56.6 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | | | trans | -114.7 | 134.1 | -174.8 | -174.2 | 168.4 | 0 | 0 | 0 | 110.1 | | |
| 753 | D | 50.4 | Low | 58.1 | Low | 126 Ų | 126 | 114 Ų | 114 | 67% | 0.674 | 69% | 0.687 | S | S | * | * | | | trans | -130.8 | 176 | 171.1 | -85.8 | -60.8 | 0 | 0 | 0 | 108.9 | | |
| 754 | M | 54.6 | Low | 59.5 | Low | 123 Ų | 123 | 110 Ų | 110 | 61% | 0.606 | 68% | 0.675 | S | S | * | * | | | trans | 99.7 | 51.1 | -173.9 | -54 | 175.3 | 61.5 | 0 | 0 | 117.8 | T71 | T71-M754 WeakPolarHBondContact CA-O 3.22Å; T71-M754 HydrophobicContact CG2-CB 4.25Å; T71-M754 HydrophobicContact CG2-CE 4.26Å; T71-M754 HydrophobicContact CG2-CG 4.44Å |
| 755 | V | 57 | Low | 61.3 | Low | 86 Ų | 86 | 110.9 Ų | 110.9 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -142.3 | 137.3 | 151.7 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | P70 T71 A72 | P70-V755 HydrophobicContact CB-CG1 4.03Å; P70-V755 HydrophobicContact CB-CG2 4.23Å; P70-V755 HydrophobicContact CG-CG1 4.15Å; P70-V755 HydrophobicContact CG-CG2 3.86Å; T71-V755 VanDerWaalsContact C-C 3.45Å; T71-V755 CarbonylContact O-C 3.46Å; A72-V755 VanDerWaalsContact CA-O 3.25Å; A72-V755 WeakPolarHBondContact CA-O 3.14Å; A72-V755 VanDerWaalsContact CB-N 3.32Å; A72-V755 VanDerWaalsContact CB-O 3.32Å; A72-V755 WeakPolarHBondContact CB-O 2.87Å |
| 756 | D | 55.4 | Low | 62.7 | Low | 117 Ų | 117 | 109.1 Ų | 109.1 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | B | Isolated β-bridge | trans | 65.4 | 96.2 | -178.7 | -60.9 | -28.7 | 0 | 0 | 0 | 121.7 | T71 A72 E73 | T71-D756 CarbonylContact O-C 3.17Å; T71-D756 VanDerWaalsContact O-C 3.25Å; T71-D756 WeakPolarHBondContact O-CA 3.25Å; T71-D756 PolarHBondContact O-N 2.78Å; A72-D756 VanDerWaalsContact C-C 3.41Å; A72-D756 CarbonylContact C-O 3.46Å; A72-D756 WeakPolarHBondContact CA-O 3.18Å; E73-D756 CarbonylContact C-O 3.36Å; E73-D756 PolarHBondContact N-O 3.4Å |
| 757 | S | 63.4 | Low | 64.4 | Low | 44 Ų | 44 | 107 Ų | 107 | 31% | 0.308 | 65% | 0.645 | S | S | . | * | | | trans | -96.2 | 146.7 | 176.1 | -147.5 | 0 | 0 | 0 | 0 | 113.4 | T71 A72 E73 Q759 L760 | T71-S757 PolarHBondContact O-N 3.39Å; A72-S757 WeakPolarHBondContact O-CA 3.08Å; A72-S757 WeakPolarHBondContact O-CB 3.29Å; A72-S757 PolarHBondContact O-OG 2.8Å; E73-S757 CarbonylContact O-C 3.37Å; E73-S757 VanDerWaalsContact O-CA 3.3Å; E73-S757 WeakPolarHBondContact O-CA 3.17Å; S757-Q759 VanDerWaalsContact C-N 3.33Å; S757-Q759 PolarHBondContact O-N 2.71Å; S757-L760 PolarHBondContact O-N 2.85Å |
| 758 | P | 67.6 | Low | 66.4 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.2 | -10.3 | -156.2 | 31 | -24 | 0 | 0 | 0 | 113.2 | E73 L760 | E73-P758 WeakPolarHBondContact O-CD 3.29Å; E73-P758 WeakPolarHBondContact O-CG 3.45Å; E73-P758 VanDerWaalsContact O-N 3.14Å; P758-L760 VanDerWaalsContact C-N 3.26Å; P758-L760 PolarHBondContact O-N 2.58Å |
| 759 | Q | 71.9 | Confident | 68.1 | Low | 156 Ų | 156 | 102.1 Ų | 102.1 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.8 | -17.9 | 176.2 | -63.1 | -175.9 | -5.3 | 0 | 0 | 113.1 | S757 T762 | S757-Q759 VanDerWaalsContact C-N 3.33Å; S757-Q759 PolarHBondContact O-N 2.71Å; Q759-T762 PolarHBondContact O-OG1 2.79Å |
| 760 | L | 68.4 | Low | 70 | Confident | 118 Ų | 118 | 97.5 Ų | 97.5 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.5 | -31.3 | 179.1 | -61.8 | 179.7 | 0 | 0 | 0 | 112.6 | S757 P758 | S757-L760 PolarHBondContact O-N 2.85Å; P758-L760 VanDerWaalsContact C-N 3.26Å; P758-L760 PolarHBondContact O-N 2.58Å |
| 761 | A | 69.5 | Low | 71.5 | Confident | 71 Ų | 71 | 97.1 Ų | 97.1 | 59% | 0.587 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.3 | -39.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A764 D765 | A761-A764 PolarHBondContact O-N 3.09Å; A761-D765 PolarHBondContact O-N 2.78Å |
| 762 | T | 73.5 | Confident | 73 | Confident | 98 Ų | 98 | 94.9 Ų | 94.9 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.1 | -31.7 | -179 | 34.1 | 0 | 0 | 0 | 0 | 113.3 | Q759 A764 E766 | Q759-T762 PolarHBondContact O-OG1 2.79Å; T762-A764 VanDerWaalsContact C-N 3.33Å; T762-E766 PolarHBondContact O-N 3.16Å; T762-E766 VanDerWaalsContact O-N 3.07Å |
| 763 | L | 81.2 | Confident | 74.3 | Confident | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -33.1 | 174.3 | -69.8 | 170.9 | 0 | 0 | 0 | 112.3 | V767 | L763-V767 WeakPolarHBondContact O-CB 3.48Å; L763-V767 VanDerWaalsContact O-CG2 3.29Å; L763-V767 WeakPolarHBondContact O-CG2 3.45Å; L763-V767 PolarHBondContact O-N 2.69Å; L763-V767 VanDerWaalsContact O-N 3.09Å |
| 764 | A | 81.4 | Confident | 75.7 | Confident | 59 Ų | 59 | 97.5 Ų | 97.5 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A761 T762 V767 S768 | A761-A764 PolarHBondContact O-N 3.09Å; T762-A764 VanDerWaalsContact C-N 3.33Å; A764-V767 PolarHBondContact O-N 3.04Å; A764-S768 PolarHBondContact O-N 2.82Å; A764-S768 PolarHBondContact O-OG 3.45Å |
| 765 | D | 82.5 | Confident | 76.7 | Confident | 123 Ų | 123 | 95.1 Ų | 95.1 | 66% | 0.658 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -39.6 | 177.1 | -105.8 | -0.8 | 0 | 0 | 0 | 112.5 | A761 S768 A769 | A761-D765 PolarHBondContact O-N 2.78Å; D765-S768 PolarHBondContact O-N 3.07Å; D765-A769 VanDerWaalsContact O-CB 3.28Å; D765-A769 WeakPolarHBondContact O-CB 3.5Å; D765-A769 PolarHBondContact O-N 2.99Å |
| 766 | E | 83.7 | Confident | 76.4 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69 | -34.2 | 179 | -170.4 | 166.8 | -144.8 | 0 | 0 | 112.3 | T762 S770 | T762-E766 PolarHBondContact O-N 3.16Å; T762-E766 VanDerWaalsContact O-N 3.07Å; E766-S770 VanDerWaalsContact O-CB 3.27Å; E766-S770 WeakPolarHBondContact O-CB 3.27Å; E766-S770 PolarHBondContact O-N 2.85Å; E766-S770 PolarHBondContact O-OG 3.07Å |
| 767 | V | 85.6 | Confident | 77.4 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.1 | -49 | 169.7 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | L763 A764 A769 S770 L771 | L763-V767 WeakPolarHBondContact O-CB 3.48Å; L763-V767 VanDerWaalsContact O-CG2 3.29Å; L763-V767 WeakPolarHBondContact O-CG2 3.45Å; L763-V767 PolarHBondContact O-N 2.69Å; L763-V767 VanDerWaalsContact O-N 3.09Å; A764-V767 PolarHBondContact O-N 3.04Å; V767-A769 PolarHBondContact O-N 3.17Å; V767-S770 WeakPolarHBondContact O-CB 3.43Å; V767-S770 PolarHBondContact O-N 3.39Å; V767-S770 VanDerWaalsContact O-N 3.07Å; V767-L771 HydrophobicContact CG1-CD1 4.14Å; V767-L771 WeakPolarHBondContact O-CD1 3.28Å; V767-L771 PolarHBondContact O-N 3.45Å |
| 768 | S | 86.9 | Confident | 78.2 | Confident | 73 Ų | 73 | 101.2 Ų | 101.2 | 51% | 0.51 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.4 | -44 | 178.4 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | A764 D765 S770 L771 A772 | A764-S768 PolarHBondContact O-N 2.82Å; A764-S768 PolarHBondContact O-OG 3.45Å; D765-S768 PolarHBondContact O-N 3.07Å; S768-S770 PolarHBondContact O-N 3.35Å; S768-L771 PolarHBondContact O-N 3.01Å; S768-A772 PolarHBondContact O-N 3.33Å |
| 769 | A | 85.2 | Confident | 78.8 | Confident | 45 Ų | 45 | 102.9 Ų | 102.9 | 37% | 0.372 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.5 | -22.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D765 V767 K773 | D765-A769 VanDerWaalsContact O-CB 3.28Å; D765-A769 WeakPolarHBondContact O-CB 3.5Å; D765-A769 PolarHBondContact O-N 2.99Å; V767-A769 PolarHBondContact O-N 3.17Å; A769-K773 WeakPolarHBondContact O-CB 3.36Å; A769-K773 WeakPolarHBondContact O-CD 3.24Å; A769-K773 VanDerWaalsContact O-CG 3.24Å; A769-K773 WeakPolarHBondContact O-CG 3.4Å; A769-K773 PolarHBondContact O-N 3.39Å |
| 770 | S | 87.1 | Confident | 79.2 | Confident | 53 Ų | 53 | 99.8 Ų | 99.8 | 37% | 0.371 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -79.1 | -38.1 | 173.8 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | E766 V767 S768 K773 Q774 | E766-S770 VanDerWaalsContact O-CB 3.27Å; E766-S770 WeakPolarHBondContact O-CB 3.27Å; E766-S770 PolarHBondContact O-N 2.85Å; E766-S770 PolarHBondContact O-OG 3.07Å; V767-S770 WeakPolarHBondContact O-CB 3.43Å; V767-S770 PolarHBondContact O-N 3.39Å; V767-S770 VanDerWaalsContact O-N 3.07Å; S768-S770 PolarHBondContact O-N 3.35Å; S770-K773 PolarHBondContact O-N 2.97Å; S770-Q774 WeakPolarHBondContact O-CG 3.43Å; S770-Q774 PolarHBondContact O-N 3.36Å; S770-Q774 VanDerWaalsContact O-N 3.17Å |
| 771 | L | 86.2 | Confident | 79.9 | Confident | 77 Ų | 77 | 98.7 Ų | 98.7 | 40% | 0.403 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.6 | -48.9 | 169.3 | -94.2 | 71 | 0 | 0 | 0 | 111.1 | V767 S768 K773 Q774 G775 L776 | V767-L771 HydrophobicContact CG1-CD1 4.14Å; V767-L771 WeakPolarHBondContact O-CD1 3.28Å; V767-L771 PolarHBondContact O-N 3.45Å; S768-L771 PolarHBondContact O-N 3.01Å; L771-K773 PolarHBondContact O-N 3.24Å; L771-K773 VanDerWaalsContact O-N 3.17Å; L771-Q774 CarbonylContact O-C 3.49Å; L771-Q774 WeakPolarHBondContact O-CA 3.49Å; L771-Q774 PolarHBondContact O-N 3.17Å; L771-G775 PolarHBondContact O-N 3.11Å; L771-G775 VanDerWaalsContact O-N 3.11Å; L771-L776 CarbonylContact C-O 3.49Å; L771-L776 HydrophobicContact CB-CB 3.96Å; L771-L776 HydrophobicContact CD2-CB 4.25Å; L771-L776 HydrophobicContact CG-CB 4.08Å; L771-L776 HydrophobicContact CG-CD1 4.28Å; L771-L776 PolarHBondContact O-N 2.82Å; L771-L776 VanDerWaalsContact O-N 3.11Å |
| 772 | A | 85.4 | Confident | 80.5 | Confident | 70 Ų | 70 | 100.5 Ų | 100.5 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.1 | -31.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | S768 L776 | S768-A772 PolarHBondContact O-N 3.33Å; A772-L776 WeakPolarHBondContact CA-O 3.37Å; A772-L776 PolarHBondContact N-O 3.11Å |
| 773 | K | 84.6 | Confident | 81 | Confident | 179 Ų | 179 | 100.7 Ų | 100.7 | 78% | 0.778 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -76.5 | -19.4 | 172.5 | -77.1 | 169.6 | -174.9 | 166.2 | 0 | 114.1 | A769 S770 L771 | A769-K773 WeakPolarHBondContact O-CB 3.36Å; A769-K773 WeakPolarHBondContact O-CD 3.24Å; A769-K773 VanDerWaalsContact O-CG 3.24Å; A769-K773 WeakPolarHBondContact O-CG 3.4Å; A769-K773 PolarHBondContact O-N 3.39Å; S770-K773 PolarHBondContact O-N 2.97Å; L771-K773 PolarHBondContact O-N 3.24Å; L771-K773 VanDerWaalsContact O-N 3.17Å |
| 774 | Q | 79 | Confident | 81 | Confident | 159 Ų | 159 | 100.5 Ų | 100.5 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -91.6 | -3.6 | 173.5 | -70.7 | -176.1 | -0.1 | 0 | 0 | 113 | S770 L771 | S770-Q774 WeakPolarHBondContact O-CG 3.43Å; S770-Q774 PolarHBondContact O-N 3.36Å; S770-Q774 VanDerWaalsContact O-N 3.17Å; L771-Q774 CarbonylContact O-C 3.49Å; L771-Q774 WeakPolarHBondContact O-CA 3.49Å; L771-Q774 PolarHBondContact O-N 3.17Å |
| 775 | G | 74.5 | Confident | 81 | Confident | 73 Ų | 73 | 104 Ų | 104 | 75% | 0.753 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.9 | 26.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L771 | L771-G775 PolarHBondContact O-N 3.11Å; L771-G775 VanDerWaalsContact O-N 3.11Å |
| 776 | L | 51.5 | Low | 80.9 | Confident | 171 Ų | 171 | 102.3 Ų | 102.3 | 90% | 0.895 | 60% | 0.598 | S | S | * | * | | | trans | -105.9 | 0 | 172 | -93.8 | 159.3 | 0 | 0 | 0 | 110.8 | L771 A772 | L771-L776 CarbonylContact C-O 3.49Å; L771-L776 HydrophobicContact CB-CB 3.96Å; L771-L776 HydrophobicContact CD2-CB 4.25Å; L771-L776 HydrophobicContact CG-CB 4.08Å; L771-L776 HydrophobicContact CG-CD1 4.28Å; L771-L776 PolarHBondContact O-N 2.82Å; L771-L776 VanDerWaalsContact O-N 3.11Å; A772-L776 WeakPolarHBondContact CA-O 3.37Å; A772-L776 PolarHBondContact N-O 3.11Å |