| 1 | M | 48.5 | Very low | 38.6 | Very low | 217 Ų | 217 | 153.2 Ų | 153.2 | 100% | 1.069 | 73% | 0.729 | S | S | * | * | | | | 0 | 104.4 | 0 | -70.8 | 139.4 | 61 | 0 | 0 | 105.6 | | |
| 2 | I | 39.5 | Very low | 38.2 | Very low | 166 Ų | 166 | 155 Ų | 155 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | -154.4 | 100.4 | -166.6 | -60.7 | -176.4 | 0 | 0 | 0 | 102.9 | | |
| 3 | E | 35.3 | Very low | 38.2 | Very low | 129 Ų | 129 | 156.6 Ų | 156.6 | 60% | 0.603 | 73% | 0.726 | S | S | * | * | | | cis | 65.9 | 116.6 | 23.1 | -117 | 173.4 | -158.1 | 0 | 0 | 109.9 | | |
| 4 | F | 28.7 | Very low | 38 | Very low | 166 Ų | 166 | 157.5 Ų | 157.5 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | | | cis | -147.4 | -176 | 38.6 | -91.9 | -87.1 | 0 | 0 | 0 | 114.1 | | |
| 5 | Y | 38.4 | Very low | 37.7 | Very low | 192 Ų | 192 | 153.5 Ų | 153.5 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | | | trans | -22 | 156.2 | 143.9 | -89.5 | -119.6 | 0 | 0 | 0 | 115.4 | E7 | Y5-E7 HydrophobicContact CD1-CB 4.38Š|
| 6 | D | 31.9 | Very low | 37.5 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | | | | -137.5 | 136 | 122.6 | -156.7 | -7.8 | 0 | 0 | 0 | 111.6 | E8 | D6-E8 VanDerWaalsContact OD1-CB 3.27Å; D6-E8 WeakPolarHBondContact OD1-CB 3.25Å; D6-E8 PolarHBondContact OD1-N 3.41Å |
| 7 | E | 47.7 | Very low | 37.3 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | | | trans | -112.5 | 10.8 | 173.7 | -135.9 | -174.4 | -161.5 | 0 | 0 | 111.4 | Y5 N9 | Y5-E7 HydrophobicContact CD1-CB 4.38Å; E7-N9 PolarHBondContact O-N 2.94Å |
| 8 | E | 32.1 | Very low | 37.1 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 64% | 0.64 | 71% | 0.714 | S | S | * | * | | | trans | -77.6 | 93.2 | -175.3 | -82.8 | -98.2 | 70.5 | 0 | 0 | 115 | D6 | D6-E8 VanDerWaalsContact OD1-CB 3.27Å; D6-E8 WeakPolarHBondContact OD1-CB 3.25Å; D6-E8 PolarHBondContact OD1-N 3.41Å |
| 9 | N | 35.1 | Very low | 36.9 | Very low | 73 Ų | 73 | 148.1 Ų | 148.1 | 39% | 0.39 | 70% | 0.7 | S | S | . | * | | | | 102.3 | 108.6 | 110.5 | -141.6 | -67 | 0 | 0 | 0 | 119 | E7 R11 | E7-N9 PolarHBondContact O-N 2.94Å; N9-R11 PolarHBondContact ND2-NH2 3.49Å; N9-R11 PolarHBondContact O-N 2.74Å; N9-R11 PolarHBondContact OD1-NE 3.05Å; N9-R11 PolarHBondContact OD1-NH2 3.09Å |
| 10 | P | 51.3 | Low | 36.7 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | | | trans | -79.5 | 107.9 | 175.5 | 31.9 | -33.7 | 0 | 0 | 0 | 112.4 | | |
| 11 | R | 36.1 | Very low | 36.6 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | | | trans | -123.7 | 115 | 169.7 | -70.4 | 177.4 | -153.8 | -179.1 | 14 | 109.4 | N9 | N9-R11 PolarHBondContact ND2-NH2 3.49Å; N9-R11 PolarHBondContact O-N 2.74Å; N9-R11 PolarHBondContact OD1-NE 3.05Å; N9-R11 PolarHBondContact OD1-NH2 3.09Å |
| 12 | K | 34.2 | Very low | 35.6 | Very low | 175 Ų | 175 | 143 Ų | 143 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | | | | 62.4 | 126.2 | 84.9 | -69.8 | 178.3 | -175.1 | 168.9 | 0 | 110.7 | | |
| 13 | R | 37.3 | Very low | 35.7 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | | | cis | -170.7 | 155.3 | 5 | -127.6 | 158.8 | 92.2 | -106.1 | 14.2 | 108.8 | | |
| 14 | R | 35.8 | Very low | 35.7 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | | | trans | 48.4 | 118.5 | 135.5 | -82.9 | -177.1 | -172.1 | -166.8 | 0.7 | 117.4 | | |
| 15 | S | 32.7 | Very low | 35.9 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | | | | 105.6 | -162.2 | 79.4 | 71.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 16 | Y | 34.6 | Very low | 35.6 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | | | cis | -141.5 | 124.8 | -9.5 | -130.8 | -104.7 | 0 | 0 | 0 | 100.2 | | |
| 17 | S | 34.1 | Very low | 35.5 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | | | | 115.9 | -171.9 | 62.2 | 63 | 0 | 0 | 0 | 0 | 110.5 | | |
| 18 | F | 34.4 | Very low | 34.5 | Very low | 192 Ų | 192 | 128.9 Ų | 128.9 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | | | trans | 85.1 | 129.2 | 149.8 | -133.2 | -101 | 0 | 0 | 0 | 116.3 | | |
| 19 | S | 32.7 | Very low | 34.4 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 46% | 0.455 | 73% | 0.726 | S | S | . | * | | | cis | -159.8 | 147 | -19.1 | -100.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 20 | Q | 33.7 | Very low | 34.2 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | | 64.3 | 95.6 | 59.9 | -168 | -169 | 51.9 | 0 | 0 | 114.1 | | |
| 21 | T | 34.1 | Very low | 33.2 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | | | trans | -138.4 | 123.7 | 144.3 | 35.1 | 0 | 0 | 0 | 0 | 109 | | |
| 22 | A | 28.3 | Very low | 32.8 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | -92.1 | 168.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 23 | P | 42 | Very low | 32.7 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | | | | -152 | 162 | 83.3 | 39.5 | -20.8 | 0 | 0 | 0 | 116.7 | | |
| 24 | L | 33.7 | Very low | 32.3 | Very low | 159 Ų | 159 | 123 Ų | 123 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | 42.7 | 147.8 | 131 | -57.3 | 174.1 | 0 | 0 | 0 | 121.8 | | |
| 25 | L | 32.9 | Very low | 31.9 | Very low | 160 Ų | 160 | 118.3 Ų | 118.3 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | cis | -171.6 | 148.3 | -15.3 | 178.6 | 66.1 | 0 | 0 | 0 | 110 | | |
| 26 | G | 33.5 | Very low | 32 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | | | trans | 98.9 | 131 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 27 | G | 28.7 | Very low | 31.5 | Very low | 86 Ų | 86 | 115.3 Ų | 115.3 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | | | cis | 159.7 | 153.6 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 28 | G | 26.8 | Very low | 32 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | | | cis | -146.5 | -150.3 | -10.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 29 | V | 30.1 | Very low | 31.9 | Very low | 147 Ų | 147 | 110.4 Ų | 110.4 | 89% | 0.891 | 73% | 0.729 | S | S | * | * | | | cis | -153.4 | 131.3 | 3.6 | 172.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 30 | G | 30.8 | Very low | 31.7 | Very low | 82 Ų | 82 | 111.7 Ų | 111.7 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | trans | 70.5 | 139.2 | 162 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 31 | G | 29.6 | Very low | 31.7 | Very low | 70 Ų | 70 | 108 Ų | 108 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | cis | 177.2 | 160.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 32 | E | 29.1 | Very low | 31.6 | Very low | 210 Ų | 210 | 104.7 Ų | 104.7 | 98% | 0.981 | 70% | 0.701 | S | S | * | * | | | trans | 64.4 | 170.8 | 170.8 | -53.1 | -158.5 | 134.9 | 0 | 0 | 118.5 | | |
| 33 | G | 31.1 | Very low | 31.6 | Very low | 65 Ų | 65 | 107.3 Ų | 107.3 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | | | trans | -179.5 | -149.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 34 | L | 29.7 | Very low | 30.9 | Very low | 164 Ų | 164 | 108.3 Ų | 108.3 | 86% | 0.859 | 70% | 0.7 | S | S | * | * | | | trans | 76.6 | 169.2 | -180 | -59.2 | 175.2 | 0 | 0 | 0 | 117.3 | P36 | L34-P36 VanDerWaalsContact O-CD 3.3Å; L34-P36 WeakPolarHBondContact O-CD 3.3Å |
| 35 | C | 26.5 | Very low | 30.9 | Very low | 70 Ų | 70 | 109.9 Ų | 109.9 | 47% | 0.473 | 70% | 0.701 | S | S | . | * | | | trans | -92.2 | 110.9 | -158.6 | -57.5 | 0 | 0 | 0 | 0 | 115.2 | Q37 A490 R491 | C35-Q37 PolarHBondContact O-N 2.6Å; C35-Q37 VanDerWaalsContact O-N 3.12Å; C35-A490 WeakPolarHBondContact O-CB 3.36Å; C35-R491 WeakPolarHBondContact CA-O 3.32Å; C35-R491 WeakPolarHBondContact CB-O 3.35Å; C35-R491 PolarHBondContact SG-O 3.32Å |
| 36 | P | 35 | Very low | 30.5 | Very low | 66 Ų | 66 | 107.3 Ų | 107.3 | 43% | 0.429 | 70% | 0.696 | S | S | . | * | | | trans | -78.9 | 29 | -177.6 | 2.9 | -2 | 0 | 0 | 0 | 118.9 | L34 P38 G488 S489 A490 | L34-P36 VanDerWaalsContact O-CD 3.3Å; L34-P36 WeakPolarHBondContact O-CD 3.3Å; P36-P38 VanDerWaalsContact O-CA 3.27Å; P36-P38 WeakPolarHBondContact O-CA 2.99Å; P36-G488 CarbonylContact O-C 3.52Å; P36-S489 WeakPolarHBondContact CB-O 3.45Å; P36-S489 WeakPolarHBondContact CG-O 3.18Å; P36-S489 CarbonylContact O-C 3.49Å; P36-S489 WeakPolarHBondContact O-CA 3.22Å; P36-S489 PolarHBondContact O-N 3.35Å; P36-A490 VanDerWaalsContact C-C 3.43Å; P36-A490 CarbonylContact C-O 3.47Å; P36-A490 HydrophobicContact CB-CB 2.28Å; P36-A490 HydrophobicContact CG-CB 2.29Å; P36-A490 WeakPolarHBondContact O-CA 3.25Å; P36-A490 PolarHBondContact O-N 3.3Å |
| 37 | Q | 24.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 110.8 Ų | 110.8 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | | | trans | -101.7 | 105.9 | -146 | -156 | 176.7 | -100.7 | 0 | 0 | 116.4 | C35 A490 | C35-Q37 PolarHBondContact O-N 2.6Å; C35-Q37 VanDerWaalsContact O-N 3.12Å; Q37-A490 VanDerWaalsContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CB-O 3.23Å; Q37-A490 WeakPolarHBondContact CG-O 3.44Å; Q37-A490 PolarHBondContact N-O 3.28Å |
| 38 | P | 45.3 | Very low | 30.6 | Very low | 108 Ų | 108 | 112.7 Ų | 112.7 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | | | cis | -108.7 | -168.9 | -24.8 | 42.4 | -30.4 | 0 | 0 | 0 | 111.4 | P36 | P36-P38 VanDerWaalsContact O-CA 3.27Å; P36-P38 WeakPolarHBondContact O-CA 2.99Å |
| 39 | P | 32.3 | Very low | 30.5 | Very low | 64 Ų | 64 | 115.1 Ų | 115.1 | 42% | 0.416 | 70% | 0.696 | S | S | . | * | | | trans | -143.5 | 173.9 | 131.7 | 41.6 | -30 | 0 | 0 | 0 | 114.7 | N487 G488 | P39-N487 WeakPolarHBondContact CG-O 3.45Å; P39-G488 WeakPolarHBondContact CD-O 3.36Å |
| 40 | S | 27 | Very low | 30.4 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | | | trans | -110.2 | 149.2 | -173.3 | 54.1 | 0 | 0 | 0 | 0 | 114 | | |
| 41 | H | 35.3 | Very low | 30.2 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 45% | 0.454 | 69% | 0.69 | S | S | . | * | | | trans | 62.6 | 132.5 | 165.9 | -62.5 | -48.7 | 0 | 0 | 0 | 119.2 | K43 G486 | H41-K43 HydrophobicContact CB-CB 4.34Å; H41-K43 HydrophobicContact CB-CD 4.4Å; H41-K43 VanDerWaalsContact CE1-CE 3.48Å; H41-K43 WeakPolarHBondContact CE1-CE 3.39Å; H41-K43 PolarHBondContact CE1-NZ 2.63Å; H41-K43 PolarHBondContact NE2-NZ 2.74Å; H41-G486 PolarHBondContact O-N 2.84Å |
| 42 | P | 30.7 | Very low | 30.1 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 49% | 0.487 | 69% | 0.691 | S | S | . | * | | | | -83 | 174 | 68.5 | -30 | 40.8 | 0 | 0 | 0 | 118.2 | N487 | P42-N487 WeakPolarHBondContact CD-OD1 3.44Š|
| 43 | K | 28.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 110.8 Ų | 110.8 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | | | cis | 58.3 | 122.4 | -36.7 | -60.6 | 171.1 | -177.2 | 163 | 0 | 118.5 | H41 | H41-K43 HydrophobicContact CB-CB 4.34Å; H41-K43 HydrophobicContact CB-CD 4.4Å; H41-K43 VanDerWaalsContact CE1-CE 3.48Å; H41-K43 WeakPolarHBondContact CE1-CE 3.39Å; H41-K43 PolarHBondContact CE1-NZ 2.63Å; H41-K43 PolarHBondContact NE2-NZ 2.74Å |
| 44 | V | 27.3 | Very low | 29.8 | Very low | 131 Ų | 131 | 112.6 Ų | 112.6 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | | | cis | -146.9 | 163 | 28.9 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 45 | F | 33 | Very low | 29.8 | Very low | 192 Ų | 192 | 109.1 Ų | 109.1 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | | | trans | -43.5 | 155 | 161 | -64.6 | -106.2 | 0 | 0 | 0 | 114.6 | | |
| 46 | S | 25.6 | Very low | 29.9 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | | 160 | 131.7 | 112.1 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 47 | I | 27.5 | Very low | 29.7 | Very low | 148 Ų | 148 | 114.8 Ų | 114.8 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | | -170.3 | 135 | 99.9 | 41.1 | -178.7 | 0 | 0 | 0 | 110.8 | | |
| 48 | S | 35.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 88% | 0.881 | 72% | 0.717 | S | S | * | * | | | trans | -92 | 127.4 | 157.5 | -60.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 49 | T | 26.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 116 Ų | 116 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | | | trans | -135.6 | 104.7 | 167.9 | 41.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 50 | S | 28 | Very low | 29.3 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -90.2 | 133.9 | 165.1 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 51 | A | 26.3 | Very low | 29.7 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | 170.9 | 148.1 | 133.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 52 | A | 26.2 | Very low | 29.6 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | 65.1 | 156.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 53 | S | 26.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | cis | -170.9 | 122.8 | -31.3 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 54 | A | 28.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -172.2 | 148.7 | 152 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 55 | A | 29.9 | Very low | 31.1 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | cis | 155.3 | 147.3 | -22.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 56 | D | 28.3 | Very low | 30.9 | Very low | 156 Ų | 156 | 115.9 Ų | 115.9 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | 66.1 | 142.8 | 174.2 | -115.9 | 53.4 | 0 | 0 | 0 | 117.4 | | |
| 57 | S | 30.1 | Very low | 31.2 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | cis | -163.4 | 175.6 | -26.3 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 58 | G | 28.9 | Very low | 31.3 | Very low | 67 Ų | 67 | 115.7 Ų | 115.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | 109.2 | 84.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 59 | K | 30.7 | Very low | 31 | Very low | 208 Ų | 208 | 115.2 Ų | 115.2 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | 56.6 | 119.8 | 134.2 | -126.7 | 89.1 | 173.1 | -170.1 | 0 | 120.4 | | |
| 60 | A | 35.1 | Very low | 31.1 | Very low | 88 Ų | 88 | 116 Ų | 116 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -77.5 | 163.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 61 | P | 34.7 | Very low | 31 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | | -149.7 | 176.8 | 83.1 | 41 | -23.8 | 0 | 0 | 0 | 115.9 | | |
| 62 | A | 34.4 | Very low | 31.2 | Very low | 93 Ų | 93 | 114 Ų | 114 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -105.6 | 144.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 63 | P | 41.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | | -153.6 | 162.8 | 101.9 | 35.2 | -14.5 | 0 | 0 | 0 | 118.5 | | |
| 64 | I | 29.9 | Very low | 32.3 | Very low | 160 Ų | 160 | 115.9 Ų | 115.9 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | | | trans | -23.3 | 178.4 | 153.8 | 28.8 | 171.3 | 0 | 0 | 0 | 120.5 | | |
| 65 | P | 46.7 | Very low | 32.5 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | cis | -141.9 | -168.8 | -8.5 | 30.2 | -5.2 | 0 | 0 | 0 | 117.8 | | |
| 66 | A | 29.3 | Very low | 32.7 | Very low | 89 Ų | 89 | 115.3 Ų | 115.3 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | 88.8 | 150.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 67 | T | 30.4 | Very low | 33.1 | Very low | 126 Ų | 126 | 119 Ų | 119 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | cis | -153.7 | 168.1 | 22.1 | -33.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 68 | V | 29.8 | Very low | 33.3 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | 75.5 | 131.5 | 162.2 | 174.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 69 | T | 29.2 | Very low | 33.6 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | cis | -157.8 | 140 | -15.2 | 25.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 70 | V | 29.8 | Very low | 33.6 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | 34.6 | 120.4 | 130.8 | -174.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 71 | G | 24.8 | Very low | 33.5 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | | 83.3 | 132.8 | 116.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 72 | A | 30.5 | Very low | 33.4 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | | | trans | -95.7 | -177.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 73 | P | 48.1 | Very low | 33.1 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | | -158.8 | -166.3 | 60.4 | 42.3 | -18.5 | 0 | 0 | 0 | 118.1 | | |
| 74 | T | 29.1 | Very low | 32.7 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | 70.1 | 146.2 | 159 | 32.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 75 | A | 32.5 | Very low | 32.5 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | cis | -163.1 | 167.9 | 3.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 76 | A | 34.1 | Very low | 31.6 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | cis | -168.9 | -169.9 | -16.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 77 | R | 36.1 | Very low | 31.6 | Very low | 233 Ų | 233 | 132.3 Ų | 132.3 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | | | cis | -151.2 | 144 | 16.4 | -57.9 | 171.9 | 179.3 | 169.6 | -0.8 | 112 | | |
| 78 | V | 33.3 | Very low | 31.4 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | 25.6 | 110.5 | 139.7 | -170.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 79 | L | 35.4 | Very low | 31.3 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | | 171.2 | 155.4 | 127.1 | -85.6 | 176.2 | 0 | 0 | 0 | 108.3 | | |
| 80 | L | 32.3 | Very low | 31.1 | Very low | 136 Ų | 136 | 132 Ų | 132 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | | | cis | -162.1 | 142.9 | -38.9 | -167.7 | 66.3 | 0 | 0 | 0 | 111.5 | | |
| 81 | K | 31.8 | Very low | 31.1 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | trans | 64.7 | 133.7 | 161.1 | -123.6 | 87.2 | 176.9 | -171 | 0 | 121.6 | | |
| 82 | Q | 32.4 | Very low | 31.1 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -101.6 | -174.5 | 153.6 | -30.2 | 89.2 | -67.2 | 0 | 0 | 108.8 | | |
| 83 | R | 29.1 | Very low | 31 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | | | cis | -159.8 | 170.6 | 4.1 | -123.9 | -145.5 | 136.9 | -131.8 | 0.8 | 103.6 | E85 | R83-E85 IonicContact CZ-OE1 2.73Å; R83-E85 IonicContact CZ-OE2 2.61Å; R83-E85 IonicContact NH1-OE1 2.72Å; R83-E85 PolarHBondContact NH1-OE1 3.2Å; R83-E85 IonicContact NH1-OE2 3.51Å; R83-E85 VanDerWaalsContact NH2-CD 3.33Å; R83-E85 IonicContact NH2-OE1 2.61Å; R83-E85 PolarHBondContact NH2-OE1 3.19Å; R83-E85 VanDerWaalsContact NH2-OE1 3.15Å; R83-E85 IonicContact NH2-OE2 3.94Å; R83-E85 PolarHBondContact NH2-OE2 3.47Å |
| 84 | S | 31.6 | Very low | 30 | Very low | 71 Ų | 71 | 140 Ų | 140 | 50% | 0.497 | 78% | 0.776 | S | S | . | * | | | cis | 175.5 | 167.1 | -6.6 | 44.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 85 | E | 26.9 | Very low | 29.8 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 64% | 0.64 | 77% | 0.774 | S | S | * | * | | | trans | 72.4 | 146.6 | 147.9 | -124.5 | 112.9 | 81 | 0 | 0 | 119.3 | R83 | R83-E85 IonicContact CZ-OE1 2.73Å; R83-E85 IonicContact CZ-OE2 2.61Å; R83-E85 IonicContact NH1-OE1 2.72Å; R83-E85 PolarHBondContact NH1-OE1 3.2Å; R83-E85 IonicContact NH1-OE2 3.51Å; R83-E85 VanDerWaalsContact NH2-CD 3.33Å; R83-E85 IonicContact NH2-OE1 2.61Å; R83-E85 PolarHBondContact NH2-OE1 3.19Å; R83-E85 VanDerWaalsContact NH2-OE1 3.15Å; R83-E85 IonicContact NH2-OE2 3.94Å; R83-E85 PolarHBondContact NH2-OE2 3.47Å |
| 86 | D | 26.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | 60.7 | 116.5 | 156.7 | -81.3 | -29.2 | 0 | 0 | 0 | 125.5 | | |
| 87 | Q | 29.2 | Very low | 29.4 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | | 57.8 | 145 | 122.1 | -69.5 | -180 | 69.8 | 0 | 0 | 124.8 | | |
| 88 | S | 26.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 88.3 | 102.3 | 151.2 | 72.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 89 | I | 28.8 | Very low | 29 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | | | trans | 18.4 | 125.4 | 130 | -52.4 | 168.3 | 0 | 0 | 0 | 117.8 | | |
| 90 | G | 25.6 | Very low | 28.8 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | -155 | 129.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 91 | R | 27.9 | Very low | 28.5 | Very low | 231 Ų | 231 | 131.2 Ų | 131.2 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -96 | 149.7 | -175.1 | -64.1 | 151.4 | 63.4 | -172.3 | 2.9 | 111.4 | | |
| 92 | S | 25.7 | Very low | 28.3 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | | | | 170.6 | 150.2 | 113.6 | -76.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 93 | S | 27.5 | Very low | 28.3 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | trans | -90.9 | 152 | 175.3 | -39.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 94 | A | 27.5 | Very low | 28.5 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -147.4 | 130.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 95 | S | 26.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -94.6 | 153.6 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 96 | T | 27.8 | Very low | 29.6 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -162.1 | 150.1 | 150.9 | 19.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 97 | G | 29.9 | Very low | 29.9 | Very low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | 48.6 | 97.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 98 | L | 31 | Very low | 30.1 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | | 49.4 | 105.8 | 64.7 | -66.7 | 172.3 | 0 | 0 | 0 | 115.9 | | |
| 99 | A | 30.5 | Very low | 30.4 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | 51.6 | 148.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 100 | T | 29.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 123 Ų | 123 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | cis | -144.2 | 159.5 | 27.2 | 45.6 | 0 | 0 | 0 | 0 | 113 | | |
| 101 | G | 26.7 | Very low | 30.8 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -80.6 | 128.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 102 | S | 26.8 | Very low | 31 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -63.9 | 154.9 | -166.7 | -45.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 103 | P | 32.2 | Very low | 31.3 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | S | Bend | | -104.2 | 145.7 | 111.6 | 29.4 | -34.8 | 0 | 0 | 0 | 111.8 | | |
| 104 | T | 35 | Very low | 31.4 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 66.9 | 151.8 | 172.4 | 56.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 105 | T | 34.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -92.6 | 174.9 | -178.9 | 48 | 0 | 0 | 0 | 0 | 111.4 | | |
| 106 | P | 46.5 | Very low | 31.6 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | cis | -140.8 | -179.6 | 13.8 | 43 | -23.8 | 0 | 0 | 0 | 118.8 | | |
| 107 | S | 31.8 | Very low | 31.8 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | trans | 77.8 | 130.1 | 150.2 | -83.9 | 0 | 0 | 0 | 0 | 125.6 | | |
| 108 | E | 33.8 | Very low | 31.8 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 79.4 | 93.7 | 135.2 | -71.4 | 150.6 | -116.3 | 0 | 0 | 124.3 | | |
| 109 | D | 32.3 | Very low | 32 | Very low | 142 Ų | 142 | 119.6 Ų | 119.6 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | | 58.6 | 127.2 | 121.2 | -70.7 | 3 | 0 | 0 | 0 | 126.9 | | |
| 110 | T | 34.8 | Very low | 32.1 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | 70.2 | 153.6 | 148 | 60.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 111 | S | 29.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | cis | -171.6 | 142.2 | -21.5 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 112 | V | 30.8 | Very low | 32.7 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | 72.5 | 121.4 | 135.9 | 172.6 | 0 | 0 | 0 | 0 | 124 | | |
| 113 | L | 32.1 | Very low | 33.1 | Very low | 174 Ų | 174 | 121.8 Ų | 121.8 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | | | trans | 77 | 141.1 | 143.8 | -166.3 | 69.3 | 0 | 0 | 0 | 122.9 | | |
| 114 | G | 29.1 | Very low | 34.1 | Very low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -164.8 | -36.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 128.5 | | |
| 115 | K | 31.2 | Very low | 34.1 | Very low | 218 Ų | 218 | 123.3 Ų | 123.3 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | | | trans | 56.2 | 113.4 | 161.3 | -169.8 | -177.6 | -178.3 | -179.3 | 0 | 124 | | |
| 116 | G | 28.6 | Very low | 35.1 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | | | trans | 96.1 | 166.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 117 | A | 31.9 | Very low | 35.3 | Very low | 108 Ų | 108 | 124 Ų | 124 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | cis | -172.1 | 146.4 | -21.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 118 | G | 30.1 | Very low | 36.3 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 84.2 | 165 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 119 | T | 33.3 | Very low | 36.7 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | | | cis | -171.6 | 157.1 | -20.4 | 3.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 120 | A | 34.3 | Very low | 37.7 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | 84.8 | 137.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 121 | G | 31.3 | Very low | 38.2 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | trans | 84 | 148.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 122 | G | 36.3 | Very low | 38.8 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | cis | 164.3 | 158.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 123 | D | 35.9 | Very low | 39.3 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | | | trans | 77.1 | 162.6 | 170.6 | -138.3 | -5.1 | 0 | 0 | 0 | 120 | | |
| 124 | V | 53.3 | Low | 39.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -129 | 141 | -167.3 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 125 | D | 35.8 | Very low | 40.3 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | trans | -148.3 | 135.2 | 161.8 | -129.1 | -32 | 0 | 0 | 0 | 110.4 | | |
| 126 | D | 55.1 | Low | 41.1 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 68% | 0.679 | 81% | 0.805 | S | S | * | * | | | trans | -113.3 | 117.2 | -177.7 | -173.7 | 12.8 | 0 | 0 | 0 | 109.8 | | |
| 127 | N | 50.6 | Low | 42.1 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | -147.4 | 97.2 | -175.1 | -93.8 | -83.5 | 0 | 0 | 0 | 111.4 | | |
| 128 | H | 52.5 | Low | 43.2 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | -70 | 128.2 | 167.8 | -70 | -71.7 | 0 | 0 | 0 | 111.9 | | |
| 129 | S | 41.8 | Very low | 44.3 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -162.9 | 133 | 151.1 | -87.5 | 0 | 0 | 0 | 0 | 112.5 | K131 | S129-K131 PolarHBondContact O-N 3.16Š|
| 130 | D | 53.9 | Low | 45.2 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -65.9 | 126.9 | 174.1 | -55.8 | -85.8 | 0 | 0 | 0 | 112.5 | | |
| 131 | K | 45.3 | Very low | 46.4 | Very low | 212 Ų | 212 | 144 Ų | 144 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | | | trans | 170.7 | 108.5 | 139.6 | -91.9 | 145.3 | -163.5 | 162.6 | 0 | 110.7 | S129 | S129-K131 PolarHBondContact O-N 3.16Š|
| 132 | G | 41.3 | Very low | 48.2 | Very low | 62 Ų | 62 | 143.1 Ų | 143.1 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | trans | 173.4 | 111.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y134 | G132-Y134 PolarHBondContact O-N 2.89Š|
| 133 | T | 41.1 | Very low | 49.9 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -52.3 | 115.1 | 173.9 | -55 | 0 | 0 | 0 | 0 | 111.7 | T135 | T133-T135 PolarHBondContact O-N 3.01Š|
| 134 | Y | 38.3 | Very low | 51.7 | Low | 220 Ų | 220 | 142.4 Ų | 142.4 | 86% | 0.863 | 75% | 0.748 | S | S | * | * | | | trans | -70.7 | 97 | 169.7 | -71.4 | -81.2 | 0 | 0 | 0 | 110.5 | G132 I136 | G132-Y134 PolarHBondContact O-N 2.89Å; Y134-I136 PolarHBondContact O-N 3.42Å |
| 135 | T | 44.8 | Very low | 52.9 | Low | 120 Ų | 120 | 140.9 Ų | 140.9 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | | | trans | -70.1 | 108 | 159.7 | 38.2 | 0 | 0 | 0 | 0 | 108.9 | T133 E137 | T133-T135 PolarHBondContact O-N 3.01Å; T135-E137 PolarHBondContact O-N 3.48Å |
| 136 | I | 48 | Very low | 54.9 | Low | 141 Ų | 141 | 137.4 Ų | 137.4 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | | | trans | -76.5 | 109.7 | 173.5 | -57.9 | 173.7 | 0 | 0 | 0 | 108 | Y134 L138 | Y134-I136 PolarHBondContact O-N 3.42Å; I136-L138 PolarHBondContact O-N 3.48Å |
| 137 | E | 48.6 | Very low | 56.1 | Low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | | | trans | -72.5 | 110.5 | 172.3 | -66.3 | -177.7 | 156.5 | 0 | 0 | 109.1 | T135 E139 | T135-E137 PolarHBondContact O-N 3.48Å; E137-E139 PolarHBondContact O-N 3.06Å |
| 138 | L | 56.8 | Low | 57.4 | Low | 164 Ų | 164 | 131.4 Ų | 131.4 | 86% | 0.859 | 68% | 0.682 | S | S | * | * | | | trans | -78.3 | 30.2 | -179.9 | -78.5 | 164.2 | 0 | 0 | 0 | 113 | I136 N140 | I136-L138 PolarHBondContact O-N 3.48Å; L138-N140 VanDerWaalsContact C-N 3.25Å; L138-N140 PolarHBondContact O-N 3.46Å |
| 139 | E | 52 | Low | 59.1 | Low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | | | trans | -89.4 | 61.2 | 172.6 | -165.1 | 166.5 | -160.5 | 0 | 0 | 111.2 | E137 | E137-E139 PolarHBondContact O-N 3.06Š|
| 140 | N | 52 | Low | 61.1 | Low | 150 Ų | 150 | 129.5 Ų | 129.5 | 80% | 0.802 | 65% | 0.649 | S | S | * | * | | | trans | -150.6 | 104.8 | 155.7 | -99.6 | -55.3 | 0 | 0 | 0 | 108 | L138 N142 | L138-N140 VanDerWaalsContact C-N 3.25Å; L138-N140 PolarHBondContact O-N 3.46Å; N140-N142 PolarHBondContact O-N 2.92Å |
| 141 | K | 60 | Low | 62.6 | Low | 155 Ų | 155 | 127.8 Ų | 127.8 | 67% | 0.674 | 64% | 0.638 | S | S | * | * | | | trans | -66.3 | 97.8 | 166.5 | -80.7 | -175.1 | 159.2 | -135 | 0 | 108.1 | P143 E146 | K141-P143 VanDerWaalsContact O-CD 3.26Å; K141-P143 WeakPolarHBondContact O-CD 3.37Å; K141-E146 VanDerWaalsContact NZ-CD 3.27Å; K141-E146 IonicContact NZ-OE1 3.41Å; K141-E146 PolarHBondContact NZ-OE1 2.97Å; K141-E146 IonicContact NZ-OE2 3.49Å; K141-E146 PolarHBondContact NZ-OE2 3.05Å |
| 142 | N | 69.3 | Low | 64.4 | Low | 68 Ų | 68 | 122 Ų | 122 | 36% | 0.364 | 62% | 0.616 | S | S | . | * | | | trans | -63.5 | 117 | 170.7 | -178.5 | 8.9 | 0 | 0 | 0 | 108.2 | N140 E144 E145 E146 | N140-N142 PolarHBondContact O-N 2.92Å; N142-E144 PolarHBondContact ND2-OE2 2.83Å; N142-E144 PolarHBondContact O-N 3.06Å; N142-E144 WeakPolarHBondContact OD1-CB 3.22Å; N142-E144 PolarHBondContact OD1-N 2.86Å; N142-E145 HydrophobicContact CB-CB 3.96Å; N142-E145 PolarHBondContact O-N 3.01Å; N142-E146 PolarHBondContact O-N 3.26Å |
| 143 | P | 72.7 | Confident | 66.7 | Low | 95 Ų | 95 | 122.2 Ų | 122.2 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.2 | -27.8 | -180 | 24.9 | -35.1 | 0 | 0 | 0 | 112.3 | K141 E147 | K141-P143 VanDerWaalsContact O-CD 3.26Å; K141-P143 WeakPolarHBondContact O-CD 3.37Å; P143-E147 VanDerWaalsContact O-CB 3.29Å; P143-E147 WeakPolarHBondContact O-CB 3.23Å; P143-E147 PolarHBondContact O-N 2.94Å |
| 144 | E | 73.3 | Confident | 68.8 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.1 | -32.7 | 172.7 | 173.9 | -168 | -134.3 | 0 | 0 | 112.3 | N142 E147 A148 | N142-E144 PolarHBondContact ND2-OE2 2.83Å; N142-E144 PolarHBondContact O-N 3.06Å; N142-E144 WeakPolarHBondContact OD1-CB 3.22Å; N142-E144 PolarHBondContact OD1-N 2.86Å; E144-E147 WeakPolarHBondContact O-CB 3.23Å; E144-E147 PolarHBondContact O-N 2.71Å; E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 2.64Å |
| 145 | E | 78.8 | Confident | 70.6 | Confident | 92 Ų | 92 | 117.6 Ų | 117.6 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.3 | -40.2 | 173.3 | -162.6 | -161 | 161.6 | 0 | 0 | 110.8 | N142 E147 A148 R149 | N142-E145 HydrophobicContact CB-CB 3.96Å; N142-E145 PolarHBondContact O-N 3.01Å; E145-E147 PolarHBondContact O-N 3.35Å; E145-A148 PolarHBondContact O-N 3.2Å; E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.24Å; E145-R149 WeakPolarHBondContact O-CG 3.48Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 2.73Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 3.15Å; E145-R149 PolarHBondContact OE1-NE 2.99Å; E145-R149 VanDerWaalsContact OE1-NE 3.12Å; E145-R149 IonicContact OE1-NH2 2.78Å; E145-R149 PolarHBondContact OE1-NH2 3.1Å; E145-R149 IonicContact OE2-NH2 2.67Å |
| 146 | E | 77.4 | Confident | 71.7 | Confident | 77 Ų | 77 | 119.4 Ų | 119.4 | 36% | 0.36 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.4 | -22.1 | 173.7 | -155.6 | 150.1 | -119.4 | 0 | 0 | 111.3 | K141 N142 R150 | K141-E146 VanDerWaalsContact NZ-CD 3.27Å; K141-E146 IonicContact NZ-OE1 3.41Å; K141-E146 PolarHBondContact NZ-OE1 2.97Å; K141-E146 IonicContact NZ-OE2 3.49Å; K141-E146 PolarHBondContact NZ-OE2 3.05Å; N142-E146 PolarHBondContact O-N 3.26Å; E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.49Å; E146-R150 PolarHBondContact O-N 3.11Å; E146-R150 PolarHBondContact O-NH1 2.96Å |
| 147 | E | 79.3 | Confident | 72.7 | Confident | 100 Ų | 100 | 115.6 Ų | 115.6 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.9 | -46.4 | 166.9 | -176.6 | 128.5 | -116.4 | 0 | 0 | 113.1 | P143 E144 E145 R149 R150 M151 | P143-E147 VanDerWaalsContact O-CB 3.29Å; P143-E147 WeakPolarHBondContact O-CB 3.23Å; P143-E147 PolarHBondContact O-N 2.94Å; E144-E147 WeakPolarHBondContact O-CB 3.23Å; E144-E147 PolarHBondContact O-N 2.71Å; E145-E147 PolarHBondContact O-N 3.35Å; E147-R149 VanDerWaalsContact C-N 3.26Å; E147-R149 PolarHBondContact O-N 2.68Å; E147-R150 VanDerWaalsContact CA-CZ 3.45Å; E147-R150 VanDerWaalsContact CB-NH2 3.29Å; E147-R150 CarbonylContact O-C 3.55Å; E147-R150 WeakPolarHBondContact O-CA 3.43Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 2.79Å; E147-R150 VanDerWaalsContact O-N 3.08Å; E147-R150 IonicContact OE1-CZ 3.12Å; E147-R150 IonicContact OE1-NH2 3.04Å; E147-R150 PolarHBondContact OE1-NH2 2.86Å; E147-R150 IonicContact OE2-NH2 3.14Å; E147-M151 WeakPolarHBondContact O-CG 3.29Å; E147-M151 PolarHBondContact O-N 2.68Å |
| 148 | A | 78.9 | Confident | 73.2 | Confident | 38 Ų | 38 | 111 Ų | 111 | 31% | 0.314 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.7 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E144 E145 M151 I152 | E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 2.64Å; E145-A148 PolarHBondContact O-N 3.2Å; A148-M151 PolarHBondContact O-N 3.39Å; A148-I152 WeakPolarHBondContact O-CB 3.41Å; A148-I152 WeakPolarHBondContact O-CD1 3.33Å; A148-I152 VanDerWaalsContact O-CG1 3.23Å; A148-I152 WeakPolarHBondContact O-CG1 3.21Å; A148-I152 PolarHBondContact O-N 3.09Å |
| 149 | R | 87.9 | Confident | 72.7 | Confident | 129 Ų | 129 | 108.7 Ų | 108.7 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 171.6 | -68.6 | 169.9 | -173 | -164.1 | 5.5 | 111.7 | E145 E147 M151 I152 D153 | E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.24Å; E145-R149 WeakPolarHBondContact O-CG 3.48Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 2.73Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 3.15Å; E145-R149 PolarHBondContact OE1-NE 2.99Å; E145-R149 VanDerWaalsContact OE1-NE 3.12Å; E145-R149 IonicContact OE1-NH2 2.78Å; E145-R149 PolarHBondContact OE1-NH2 3.1Å; E145-R149 IonicContact OE2-NH2 2.67Å; E147-R149 VanDerWaalsContact C-N 3.26Å; E147-R149 PolarHBondContact O-N 2.68Å; R149-M151 VanDerWaalsContact C-N 3.28Å; R149-M151 PolarHBondContact O-N 2.77Å; R149-I152 WeakPolarHBondContact O-CB 3.34Å; R149-I152 PolarHBondContact O-N 2.98Å; R149-I152 VanDerWaalsContact O-N 3.16Å; R149-D153 PolarHBondContact O-N 3.44Å |
| 150 | R | 84.2 | Confident | 72.4 | Confident | 125 Ų | 125 | 107 Ų | 107 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.2 | -35.8 | 173.2 | -74.1 | -175.6 | -43.4 | -93 | 11.1 | 113.3 | E146 E147 K154 | E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.49Å; E146-R150 PolarHBondContact O-N 3.11Å; E146-R150 PolarHBondContact O-NH1 2.96Å; E147-R150 VanDerWaalsContact CA-CZ 3.45Å; E147-R150 VanDerWaalsContact CB-NH2 3.29Å; E147-R150 CarbonylContact O-C 3.55Å; E147-R150 WeakPolarHBondContact O-CA 3.43Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 2.79Å; E147-R150 VanDerWaalsContact O-N 3.08Å; E147-R150 IonicContact OE1-CZ 3.12Å; E147-R150 IonicContact OE1-NH2 3.04Å; E147-R150 PolarHBondContact OE1-NH2 2.86Å; E147-R150 IonicContact OE2-NH2 3.14Å; R150-K154 VanDerWaalsContact O-CB 3.28Å; R150-K154 WeakPolarHBondContact O-CB 3.28Å; R150-K154 PolarHBondContact O-N 3.47Å |
| 151 | M | 85.4 | Confident | 72.1 | Confident | 117 Ų | 117 | 105.9 Ų | 105.9 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -72.9 | -38.9 | 176.2 | -70.7 | -158.3 | -65.4 | 0 | 0 | 112 | E147 A148 R149 K154 V155 | E147-M151 WeakPolarHBondContact O-CG 3.29Å; E147-M151 PolarHBondContact O-N 2.68Å; A148-M151 PolarHBondContact O-N 3.39Å; R149-M151 VanDerWaalsContact C-N 3.28Å; R149-M151 PolarHBondContact O-N 2.77Å; M151-K154 WeakPolarHBondContact O-CB 3.41Å; M151-K154 PolarHBondContact O-N 3.04Å; M151-V155 WeakPolarHBondContact O-CB 3.32Å; M151-V155 VanDerWaalsContact O-CG2 3.3Å; M151-V155 WeakPolarHBondContact O-CG2 3.44Å; M151-V155 PolarHBondContact O-N 3.11Å |
| 152 | I | 83.3 | Confident | 71.2 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -51.9 | 171.6 | -71.1 | 162.6 | 0 | 0 | 0 | 109.4 | A148 R149 K154 V155 F156 | A148-I152 WeakPolarHBondContact O-CB 3.41Å; A148-I152 WeakPolarHBondContact O-CD1 3.33Å; A148-I152 VanDerWaalsContact O-CG1 3.23Å; A148-I152 WeakPolarHBondContact O-CG1 3.21Å; A148-I152 PolarHBondContact O-N 3.09Å; R149-I152 WeakPolarHBondContact O-CB 3.34Å; R149-I152 PolarHBondContact O-N 2.98Å; R149-I152 VanDerWaalsContact O-N 3.16Å; I152-K154 PolarHBondContact O-N 2.98Å; I152-V155 PolarHBondContact O-N 3.17Å; I152-V155 VanDerWaalsContact O-N 3.08Å; I152-F156 HydrophobicContact CG2-CD2 3.78Å; I152-F156 HydrophobicContact CG2-CE2 4.2Å; I152-F156 WeakPolarHBondContact O-CD2 3.15Å; I152-F156 PolarHBondContact O-N 3.39Å |
| 153 | D | 88.6 | Confident | 69.6 | Low | 67 Ų | 67 | 106 Ų | 106 | 36% | 0.358 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.2 | -34.1 | 177.3 | -64.4 | -28.9 | 0 | 0 | 0 | 112.1 | R149 G157 V158 | R149-D153 PolarHBondContact O-N 3.44Å; D153-G157 CarbonylContact O-C 3.03Å; D153-G157 WeakPolarHBondContact O-CA 3.46Å; D153-G157 PolarHBondContact O-N 2.99Å; D153-V158 HydrophobicContact CB-CB 4.31Å; D153-V158 PolarHBondContact O-N 2.92Å |
| 154 | K | 85.1 | Confident | 67.8 | Low | 139 Ų | 139 | 105.7 Ų | 105.7 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.2 | -41.6 | 174 | -168.2 | 67.9 | 66.7 | -167.1 | 0 | 112.7 | R150 M151 I152 | R150-K154 VanDerWaalsContact O-CB 3.28Å; R150-K154 WeakPolarHBondContact O-CB 3.28Å; R150-K154 PolarHBondContact O-N 3.47Å; M151-K154 WeakPolarHBondContact O-CB 3.41Å; M151-K154 PolarHBondContact O-N 3.04Å; I152-K154 PolarHBondContact O-N 2.98Å |
| 155 | V | 77.4 | Confident | 66.2 | Low | 119 Ų | 119 | 106.9 Ų | 106.9 | 72% | 0.721 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.8 | -37.1 | -178.9 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | M151 I152 | M151-V155 WeakPolarHBondContact O-CB 3.32Å; M151-V155 VanDerWaalsContact O-CG2 3.3Å; M151-V155 WeakPolarHBondContact O-CG2 3.44Å; M151-V155 PolarHBondContact O-N 3.11Å; I152-V155 PolarHBondContact O-N 3.17Å; I152-V155 VanDerWaalsContact O-N 3.08Å |
| 156 | F | 67.6 | Low | 64.3 | Low | 158 Ų | 158 | 108.7 Ų | 108.7 | 69% | 0.693 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -90.4 | 0.5 | 178 | -71.2 | -79.6 | 0 | 0 | 0 | 113.9 | I152 V158 | I152-F156 HydrophobicContact CG2-CD2 3.78Å; I152-F156 HydrophobicContact CG2-CE2 4.2Å; I152-F156 WeakPolarHBondContact O-CD2 3.15Å; I152-F156 PolarHBondContact O-N 3.39Å; F156-V158 VanDerWaalsContact C-N 3.31Å; F156-V158 HydrophobicContact CB-CG2 4.19Å; F156-V158 PolarHBondContact O-N 3.12Å |
| 157 | G | 67.8 | Low | 62.3 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 62% | 0.619 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.6 | 13.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D153 Q159 | D153-G157 CarbonylContact O-C 3.03Å; D153-G157 WeakPolarHBondContact O-CA 3.46Å; D153-G157 PolarHBondContact O-N 2.99Å; G157-Q159 PolarHBondContact O-N 2.92Å |
| 158 | V | 60.4 | Low | 60 | Low | 76 Ų | 76 | 113.7 Ų | 113.7 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | | | trans | -80.6 | 49.1 | -178.6 | -164 | 0 | 0 | 0 | 0 | 110.8 | D153 F156 E160 | D153-V158 HydrophobicContact CB-CB 4.31Å; D153-V158 PolarHBondContact O-N 2.92Å; F156-V158 VanDerWaalsContact C-N 3.31Å; F156-V158 HydrophobicContact CB-CG2 4.19Å; F156-V158 PolarHBondContact O-N 3.12Å; V158-E160 VanDerWaalsContact C-N 3.26Å; V158-E160 PolarHBondContact O-N 3.07Å |
| 159 | Q | 45.9 | Very low | 57.9 | Low | 117 Ų | 117 | 119.4 Ų | 119.4 | 55% | 0.547 | 65% | 0.647 | S | S | . | * | | | trans | -82.3 | 72.9 | 172.2 | -169.1 | 71.9 | 85.2 | 0 | 0 | 109.3 | G157 | G157-Q159 PolarHBondContact O-N 2.92Š|
| 160 | E | 45.6 | Very low | 55.5 | Low | 140 Ų | 140 | 121.3 Ų | 121.3 | 65% | 0.654 | 67% | 0.665 | S | S | * | * | | | trans | -66.4 | 134.5 | 169.7 | -67.9 | -159.7 | 160.1 | 0 | 0 | 110.5 | V158 T162 | V158-E160 VanDerWaalsContact C-N 3.26Å; V158-E160 PolarHBondContact O-N 3.07Å; E160-T162 HydrophobicContact CB-CG2 4.03Å; E160-T162 PolarHBondContact O-N 2.77Å |
| 161 | N | 44.7 | Very low | 52.8 | Low | 126 Ų | 126 | 124.7 Ų | 124.7 | 67% | 0.674 | 68% | 0.684 | S | S | * | * | | | trans | -82.2 | 46.1 | -172 | -66.3 | -33.7 | 0 | 0 | 0 | 112.8 | S163 S164 | N161-S163 PolarHBondContact O-N 2.72Å; N161-S163 VanDerWaalsContact O-N 3.11Å; N161-S164 PolarHBondContact O-N 2.89Å |
| 162 | T | 42.3 | Very low | 50 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -68.7 | -7.8 | -171.1 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | E160 | E160-T162 HydrophobicContact CB-CG2 4.03Å; E160-T162 PolarHBondContact O-N 2.77Å |
| 163 | S | 35.7 | Very low | 47.3 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -80.6 | -10.1 | 172.6 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | N161 | N161-S163 PolarHBondContact O-N 2.72Å; N161-S163 VanDerWaalsContact O-N 3.11Å |
| 164 | S | 34 | Very low | 44.5 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -91.1 | 0.5 | -170.5 | -168.7 | 0 | 0 | 0 | 0 | 115.7 | N161 | N161-S164 PolarHBondContact O-N 2.89Š|
| 165 | L | 39.5 | Very low | 41.9 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -111.6 | 9.1 | -165.9 | -101.8 | 167.7 | 0 | 0 | 0 | 116.2 | | |
| 166 | V | 38.8 | Very low | 39.5 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -115.9 | 8.1 | -173.6 | -163.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 167 | L | 35.9 | Very low | 37.6 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -141.5 | 43.8 | -176.7 | -150.5 | 79.3 | 0 | 0 | 0 | 114.9 | | |
| 168 | S | 31.4 | Very low | 35.6 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -132 | 30.8 | -178.9 | -63 | 0 | 0 | 0 | 0 | 114 | | |
| 169 | D | 35.4 | Very low | 34 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -123.4 | 58.6 | -178.7 | -143.2 | -9.5 | 0 | 0 | 0 | 112.8 | | |
| 170 | L | 35.8 | Very low | 33.1 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -157.4 | 133 | 157.6 | -140.3 | 72.5 | 0 | 0 | 0 | 113.4 | | |
| 171 | K | 28.5 | Very low | 32.2 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | 61.7 | 95 | 150.8 | -164.3 | 175.5 | -174.6 | 177.1 | 0 | 118.5 | | |
| 172 | G | 26.1 | Very low | 31.5 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | -89.4 | -179.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 173 | K | 27.7 | Very low | 30.8 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | 75.7 | 104.3 | 164 | -163.5 | -176.7 | -174 | -178.6 | 0 | 118.7 | | |
| 174 | V | 29.1 | Very low | 30.4 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -158.6 | 165.5 | 135.7 | 136.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 175 | K | 30.6 | Very low | 30.4 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | | | trans | -129.5 | 174.8 | -173.1 | 89 | 175.8 | -157.3 | 178.5 | 0 | 112.7 | | |
| 176 | D | 27.9 | Very low | 30.1 | Very low | 123 Ų | 123 | 141 Ų | 141 | 66% | 0.658 | 82% | 0.823 | S | S | * | * | | | trans | 96.2 | 138.4 | 163 | -72.1 | -36.8 | 0 | 0 | 0 | 120.7 | | |
| 177 | S | 26.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | 75.3 | 151.2 | 154.8 | 76.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 178 | G | 25.4 | Very low | 29.8 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | trans | 126.1 | 117.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 179 | N | 26.8 | Very low | 30.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -125.2 | 163.4 | 170.3 | -175.5 | 24.8 | 0 | 0 | 0 | 109.6 | | |
| 180 | A | 27.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | 73.6 | 143.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 181 | G | 25.9 | Very low | 31 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | cis | 167.2 | 151 | -12 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 182 | K | 30.8 | Very low | 31.9 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | | | trans | 69 | 135.4 | 165.1 | -74.3 | 168.5 | 153 | -87.3 | 0 | 119.7 | | |
| 183 | E | 27.3 | Very low | 32.6 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 60.8 | 96.7 | 138.6 | -69.5 | 152.4 | -127.8 | 0 | 0 | 120.8 | | |
| 184 | A | 28.4 | Very low | 33.3 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -152 | 136.9 | 137.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 185 | L | 33.4 | Very low | 33.7 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | | | trans | -89.2 | 134.7 | 166.6 | -80.4 | 78.2 | 0 | 0 | 0 | 109.4 | | |
| 186 | V | 32.8 | Very low | 34.2 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | -131.8 | 117.3 | 150.2 | 179.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 187 | G | 28.7 | Very low | 34.8 | Very low | 57 Ų | 57 | 127 Ų | 127 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | trans | -91.5 | 161.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 188 | D | 40.3 | Very low | 35.3 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | trans | 50.1 | 91.4 | 147.1 | -56.1 | -23.5 | 0 | 0 | 0 | 119.2 | | |
| 189 | S | 41.1 | Very low | 35.9 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -148.6 | 25.1 | 155.3 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 190 | S | 45.8 | Very low | 36.5 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 50% | 0.503 | 75% | 0.749 | S | S | . | * | | | trans | -102 | -6.6 | -164.9 | 54.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 191 | W | 40.7 | Very low | 36.9 | Very low | 209 Ų | 209 | 127.4 Ų | 127.4 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.7 | -20.2 | -170.6 | -77.5 | 83.1 | 0 | 0 | 0 | 115.6 | | |
| 192 | V | 46.4 | Very low | 37.4 | Very low | 133 Ų | 133 | 133 Ų | 133 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -84 | -30.2 | -177.5 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | Q194 | V192-Q194 VanDerWaalsContact C-N 3.3Å; V192-Q194 PolarHBondContact O-N 2.87Å |
| 193 | S | 41.1 | Very low | 37.7 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -75.7 | -8.7 | -174.3 | -49.4 | 0 | 0 | 0 | 0 | 115.3 | W195 | S193-W195 VanDerWaalsContact C-N 3.33Å; S193-W195 PolarHBondContact O-N 3.47Å |
| 194 | Q | 43.7 | Very low | 37.8 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -77.6 | -8.6 | -171.8 | -69.7 | -164.4 | -6.2 | 0 | 0 | 115.5 | V192 | V192-Q194 VanDerWaalsContact C-N 3.3Å; V192-Q194 PolarHBondContact O-N 2.87Å |
| 195 | W | 37 | Very low | 38.3 | Very low | 235 Ų | 235 | 135.6 Ų | 135.6 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -93.5 | -15.1 | 179.3 | -71.4 | 81.1 | 0 | 0 | 0 | 114.3 | S193 | S193-W195 VanDerWaalsContact C-N 3.33Å; S193-W195 PolarHBondContact O-N 3.47Å |
| 196 | A | 40.4 | Very low | 38.2 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -86.5 | -19.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 197 | S | 39.8 | Very low | 38.5 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -99.2 | 9.8 | -167.3 | -53.1 | 0 | 0 | 0 | 0 | 116 | | |
| 198 | L | 37.4 | Very low | 38.7 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -104.3 | -7.4 | -178 | -66.9 | 178.7 | 0 | 0 | 0 | 115.1 | | |
| 199 | A | 37.8 | Very low | 38.2 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -87.8 | -19.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 200 | A | 40.8 | Very low | 37.9 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -111.1 | 51.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 201 | N | 36 | Very low | 37.1 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -161.1 | 39.2 | 175.8 | -115 | -40.7 | 0 | 0 | 0 | 117.6 | | |
| 202 | Q | 36.6 | Very low | 36.5 | Very low | 187 Ų | 187 | 123.6 Ų | 123.6 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | | | trans | -148.8 | 45.8 | 173.3 | -142.2 | 69.3 | 85 | 0 | 0 | 117.2 | R204 | Q202-R204 PolarHBondContact O-N 3.43Š|
| 203 | A | 35.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | | | trans | -85.6 | 102 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 204 | R | 30.8 | Very low | 35 | Very low | 238 Ų | 238 | 127.2 Ų | 127.2 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | | | trans | 28.2 | 119.3 | 159.8 | -66.1 | -179.6 | 169.7 | -161.8 | -3.3 | 119.9 | Q202 | Q202-R204 PolarHBondContact O-N 3.43Š|
| 205 | T | 38.8 | Very low | 34.3 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 92% | 0.92 | 75% | 0.75 | S | S | * | * | | | | -151.4 | 153.3 | 120.9 | 36.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 206 | D | 29.6 | Very low | 33.8 | Very low | 147 Ų | 147 | 121 Ų | 121 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | trans | -138.1 | 131.2 | -179.9 | 178 | 27.4 | 0 | 0 | 0 | 108.6 | | |
| 207 | P | 39.9 | Very low | 33.1 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 49% | 0.494 | 76% | 0.759 | S | S | . | * | | | trans | -135.2 | 123.4 | 156.3 | 35.3 | -20.4 | 0 | 0 | 0 | 113.3 | M579 | P207-M579 HydrophobicContact CG-CE 4.39Å; P207-M579 HydrophobicContact CG-SD 3.62Å |
| 208 | E | 33.4 | Very low | 32.4 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | | | trans | -66.7 | 142.1 | 172.9 | -167.3 | -168.7 | -143.7 | 0 | 0 | 112.3 | | |
| 209 | G | 30.4 | Very low | 31.9 | Very low | 33 Ų | 33 | 128.8 Ų | 128.8 | 34% | 0.34 | 76% | 0.76 | S | S | . | * | | | trans | -175.2 | 144.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 210 | S | 33.4 | Very low | 31.4 | Very low | 55 Ų | 55 | 131 Ų | 131 | 39% | 0.385 | 75% | 0.751 | S | S | . | * | | | trans | -87.4 | -162.1 | -179.8 | 70.2 | 0 | 0 | 0 | 0 | 112.6 | S580 G581 S583 | S210-S580 CarbonylContact O-C 3.55Å; S210-G581 CarbonylContact C-O 3.45Å; S210-G581 WeakPolarHBondContact CA-O 3.45Å; S210-G581 PolarHBondContact N-O 3.22Å; S210-G581 VanDerWaalsContact N-O 3.11Å; S210-G581 CarbonylContact O-C 3.37Å; S210-G581 WeakPolarHBondContact O-CA 3.11Å; S210-G581 PolarHBondContact O-N 3.49Å; S210-G581 PolarHBondContact OG-O 2.9Å; S210-S583 PolarHBondContact OG-N 2.9Å |
| 211 | G | 28.8 | Very low | 30.7 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | | | trans | 145.2 | 135.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 212 | A | 28.9 | Very low | 30.5 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | | | trans | -134.4 | -177.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 213 | E | 28.8 | Very low | 30.2 | Very low | 198 Ų | 198 | 128 Ų | 128 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | | | trans | 80.8 | 175.2 | 166.7 | -48.8 | -162.3 | -154.9 | 0 | 0 | 116.2 | | |
| 214 | A | 27.8 | Very low | 29.9 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | | | trans | -135.5 | 160.8 | -133.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 215 | A | 29 | Very low | 29.8 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | | | trans | 40.8 | 123.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 216 | T | 25.3 | Very low | 29.4 | Very low | 149 Ų | 149 | 117.5 Ų | 117.5 | 91% | 0.914 | 68% | 0.684 | S | S | * | * | | | | -158.7 | 168.4 | 129.1 | 3.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 217 | F | 25.3 | Very low | 29.2 | Very low | 197 Ų | 197 | 119.9 Ų | 119.9 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | | | trans | -95.9 | -174.7 | -175.8 | -89.2 | -102.9 | 0 | 0 | 0 | 112.5 | | |
| 218 | L | 26.5 | Very low | 28.6 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | | | trans | 90.7 | 146.2 | 158.1 | -55.2 | -179.5 | 0 | 0 | 0 | 116.5 | | |
| 219 | H | 25.8 | Very low | 28.6 | Very low | 147 Ų | 147 | 119.5 Ų | 119.5 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | | | cis | -168.7 | -178.9 | -25.9 | -162.8 | -95.9 | 0 | 0 | 0 | 108.1 | | |
| 220 | K | 28 | Very low | 28.4 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 65% | 0.648 | 71% | 0.712 | S | S | * | * | | | trans | 79.8 | 112.1 | 152.1 | -145 | 71.5 | -172.4 | 166.3 | 0 | 114.4 | | |
| 221 | E | 26.8 | Very low | 28.3 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 47% | 0.467 | 73% | 0.73 | S | S | . | * | | | cis | 75.6 | 100.5 | 41.4 | -171.7 | -132.8 | 136.8 | 0 | 0 | 115 | | |
| 222 | R | 32 | Very low | 29.6 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | | | | -179.1 | 145.3 | 125.1 | -144.4 | 59.3 | -159.8 | -164.4 | -2.4 | 107.4 | S224 D225 | R222-S224 PolarHBondContact NE-OG 3.5Å; R222-S224 PolarHBondContact NH2-OG 2.81Å; R222-D225 IonicContact NH2-OD2 3.66Å |
| 223 | G | 28.6 | Very low | 30.4 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | | | cis | 99 | 153.4 | 16.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 224 | S | 29.5 | Very low | 30.6 | Very low | 67 Ų | 67 | 126 Ų | 126 | 47% | 0.469 | 73% | 0.727 | S | S | . | * | | | cis | -170.9 | -179.7 | -3 | 42.8 | 0 | 0 | 0 | 0 | 110 | R222 | R222-S224 PolarHBondContact NE-OG 3.5Å; R222-S224 PolarHBondContact NH2-OG 2.81Å |
| 225 | D | 28.6 | Very low | 30.5 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | | | trans | 82.4 | 142 | 152.4 | -52.7 | -41.3 | 0 | 0 | 0 | 118.2 | R222 | R222-D225 IonicContact NH2-OD2 3.66Š|
| 226 | A | 31.4 | Very low | 30.4 | Very low | 65 Ų | 65 | 130.8 Ų | 130.8 | 54% | 0.537 | 73% | 0.731 | S | S | . | * | | | cis | -151.4 | 175 | -8.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 227 | F | 26.2 | Very low | 30.3 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | | | cis | -144.9 | -167.6 | 20.9 | -52.6 | -103.5 | 0 | 0 | 0 | 109.9 | | |
| 228 | E | 26.1 | Very low | 30.2 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | | | cis | -155.6 | -155 | 5.2 | -142.4 | -132.4 | 98.6 | 0 | 0 | 112.6 | | |
| 229 | S | 32.6 | Very low | 31 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | trans | -63.4 | 157.6 | 179.6 | -61.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 230 | A | 27.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | | | cis | -163.3 | -155.1 | -8.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 231 | A | 31.5 | Very low | 30.7 | Very low | 91 Ų | 91 | 122 Ų | 122 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | cis | -160 | 171 | 9.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 232 | P | 54.8 | Low | 30.6 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -116.4 | -174.8 | -173.1 | 44.3 | -32.2 | 0 | 0 | 0 | 113.5 | | |
| 233 | P | 46.9 | Very low | 30.5 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | cis | -150.6 | 170.4 | 23.7 | 45.1 | -24 | 0 | 0 | 0 | 122 | | |
| 234 | L | 32.1 | Very low | 30.5 | Very low | 175 Ų | 175 | 122.5 Ų | 122.5 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | | | trans | 60.5 | 141.9 | 150.5 | -69.9 | 158.3 | 0 | 0 | 0 | 121.3 | | |
| 235 | G | 26.6 | Very low | 30.5 | Very low | 62 Ų | 62 | 124.8 Ų | 124.8 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | cis | 162.8 | 150.8 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 236 | K | 26.7 | Very low | 30.8 | Very low | 223 Ų | 223 | 129.8 Ų | 129.8 | 97% | 0.97 | 77% | 0.768 | S | S | * | * | | | trans | 67.5 | 149 | 175.3 | -54.6 | 179.9 | -179.9 | -179.9 | 0 | 116.5 | | |
| 237 | G | 23.9 | Very low | 31.1 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | | | cis | -170.1 | 172.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 238 | E | 21.9 | Very low | 31.9 | Very low | 192 Ų | 192 | 134.4 Ų | 134.4 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | | | trans | -77 | 179.7 | -172.1 | -90.8 | -174.3 | 155.9 | 0 | 0 | 117.1 | | |
| 239 | P | 43.4 | Very low | 32.6 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | cis | -141.8 | 175.9 | -27 | 36.3 | -17.4 | 0 | 0 | 0 | 116.4 | | |
| 240 | S | 23.5 | Very low | 32.5 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 59.3 | 121.8 | 144.4 | -164.2 | 0 | 0 | 0 | 0 | 123 | | |
| 241 | S | 23.5 | Very low | 32.9 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | | -162.9 | 163.3 | 127.2 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 242 | S | 25.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -102.5 | 170.5 | 172.8 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 243 | L | 29.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | | 152.1 | 129.4 | 114.6 | -164.2 | 62.6 | 0 | 0 | 0 | 115.1 | | |
| 244 | T | 29 | Very low | 31.5 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | trans | 58.6 | 129.1 | 157 | 51.2 | 0 | 0 | 0 | 0 | 124.6 | | |
| 245 | D | 28.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 62% | 0.62 | 79% | 0.794 | S | S | * | * | | | trans | 36.3 | 118.7 | 138.5 | -79.2 | -93.1 | 0 | 0 | 0 | 123 | | |
| 246 | R | 35.9 | Very low | 31.9 | Very low | 244 Ų | 244 | 149.9 Ų | 149.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | | -156.3 | 142.5 | 102.2 | -113.3 | 164.2 | 157.3 | 89.5 | -6.5 | 115 | | |
| 247 | K | 38 | Very low | 32 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | trans | -58.9 | 152.6 | 170.1 | -80.5 | 148.2 | -177.8 | 137.2 | 0 | 111.2 | | |
| 248 | R | 42.1 | Very low | 32.4 | Very low | 198 Ų | 198 | 150.2 Ų | 150.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | cis | -163.9 | 140.9 | 21.3 | -117.8 | 151.9 | -167.2 | -87.8 | 3.9 | 112.5 | | |
| 249 | R | 41.3 | Very low | 33.5 | Very low | 217 Ų | 217 | 146.5 Ų | 146.5 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | | | trans | 47.6 | 117 | 141.6 | -59.4 | 170.7 | 78.8 | 96.5 | -5.5 | 121 | | |
| 250 | T | 30.5 | Very low | 32.8 | Very low | 147 Ų | 147 | 152 Ų | 152 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -141.9 | 159.4 | 139.9 | -4 | 0 | 0 | 0 | 0 | 110 | | |
| 251 | L | 34.7 | Very low | 33 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85 | 145.3 | 170.5 | -80.7 | 150.5 | 0 | 0 | 0 | 109.8 | | |
| 252 | P | 37.1 | Very low | 33.4 | Very low | 123 Ų | 123 | 155 Ų | 155 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 149 | 170.4 | 30.4 | -33.9 | 0 | 0 | 0 | 111.1 | | |
| 253 | Q | 29 | Very low | 34 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 166.9 | 177 | -69.4 | -179.7 | -13.4 | 0 | 0 | 111.5 | | |
| 254 | L | 38.7 | Very low | 34 | Very low | 159 Ų | 159 | 154.4 Ų | 154.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 169.3 | 171.1 | -71.1 | 171.5 | 0 | 0 | 0 | 111.2 | | |
| 255 | P | 36.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 169.3 | -174.6 | -26.7 | 37.5 | 0 | 0 | 0 | 116.4 | | |
| 256 | V | 30.6 | Very low | 34.7 | Very low | 119 Ų | 119 | 157.7 Ų | 157.7 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | -118.1 | 141.5 | -165.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 257 | D | 28.7 | Very low | 34.2 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | | | trans | -122.7 | 143.4 | 154.2 | -79.1 | -59.2 | 0 | 0 | 0 | 109 | | |
| 258 | D | 33.7 | Very low | 33.8 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -145.4 | 143.7 | 179.2 | 177.7 | 44.5 | 0 | 0 | 0 | 108.6 | R260 | D258-R260 PolarHBondContact OD1-N 3.25Š|
| 259 | P | 43.4 | Very low | 33 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | | -145.8 | 129.7 | 106.4 | 33.1 | -15.2 | 0 | 0 | 0 | 116.8 | | |
| 260 | R | 29.1 | Very low | 32.3 | Very low | 224 Ų | 224 | 144.4 Ų | 144.4 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | | 77.7 | 105.4 | 127.4 | -176.7 | -170.6 | -72.8 | -143.5 | -3.8 | 119.9 | D258 | D258-R260 PolarHBondContact OD1-N 3.25Š|
| 261 | A | 28.1 | Very low | 32.2 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | -173.4 | 160.4 | 121.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 262 | K | 32.8 | Very low | 32.1 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -137.4 | 176.6 | 177.6 | -65.9 | -179.8 | -178.8 | 176.5 | 0 | 108.8 | | |
| 263 | P | 37.8 | Very low | 31.7 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | cis | -117.8 | 167.6 | -2.4 | 16.2 | 10 | 0 | 0 | 0 | 113.6 | | |
| 264 | T | 28.8 | Very low | 32 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | | 65.6 | 157.8 | 54 | 85.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 265 | P | 41.6 | Very low | 32 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | cis | -105.5 | -153.8 | -8.7 | 24.5 | -1.1 | 0 | 0 | 0 | 111.5 | | |
| 266 | K | 30.5 | Very low | 31.8 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | cis | -143.4 | 157.4 | 14.2 | -64.8 | 175.3 | -175.1 | 176.8 | 0 | 108 | | |
| 267 | A | 26.6 | Very low | 31.8 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | | 71.8 | 127.3 | 52.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 268 | L | 29.6 | Very low | 32 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | cis | -145.4 | 146.9 | 27.7 | -81.7 | 167.6 | 0 | 0 | 0 | 111.3 | | |
| 269 | R | 24.9 | Very low | 31.8 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | | 60.4 | 139.4 | 81.1 | -174.6 | -170 | -179.4 | 166 | 2.2 | 114.8 | E271 | R269-E271 IonicContact NE-OE2 3.89Å; R269-E271 IonicContact NH2-OE2 3.84Å |
| 270 | S | 26.8 | Very low | 31.8 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | cis | -178.9 | -174.5 | -22.4 | -82.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 271 | E | 27.8 | Very low | 31.7 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | | | trans | 71.3 | 150.1 | 159.1 | -78.3 | 159.1 | 114.7 | 0 | 0 | 117.5 | R269 | R269-E271 IonicContact NE-OE2 3.89Å; R269-E271 IonicContact NH2-OE2 3.84Å |
| 272 | I | 31.8 | Very low | 31.8 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | cis | -165.6 | 158 | -17.4 | -174.2 | 56.5 | 0 | 0 | 0 | 110.2 | | |
| 273 | G | 30.1 | Very low | 31.9 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | trans | 71 | -172 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 274 | E | 34.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 146 Ų | 146 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | cis | -149.5 | 168.2 | -36.8 | -175.1 | 154.8 | 175.7 | 0 | 0 | 109 | | |
| 275 | K | 38.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | -43.4 | 155 | -178.2 | -48.6 | 156.8 | -165.4 | 136.7 | 0 | 115 | | |
| 276 | Q | 31.8 | Very low | 30.9 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | | -165.6 | 154.6 | 110 | -94.2 | -51.7 | -21.6 | 0 | 0 | 110.5 | | |
| 277 | D | 30.3 | Very low | 30.7 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | trans | -85.4 | 152.7 | 161.9 | -64.8 | -72.7 | 0 | 0 | 0 | 109.7 | | |
| 278 | T | 33.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -158.8 | 150.6 | 151.1 | -9.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 279 | E | 27.9 | Very low | 30.6 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -90.4 | 155.3 | -172 | -164.5 | 163.9 | 174.2 | 0 | 0 | 111.1 | | |
| 280 | P | 44.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -82.8 | 171.2 | -172.1 | 34.6 | -37.2 | 0 | 0 | 0 | 113.7 | | |
| 281 | Q | 27.2 | Very low | 31.1 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -127 | 163 | 169.2 | -160.6 | 168.3 | 2.6 | 0 | 0 | 112.2 | | |
| 282 | E | 28.3 | Very low | 31.7 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -102.6 | -173.5 | -156 | -48.8 | 169.9 | 115.4 | 0 | 0 | 114.8 | | |
| 283 | K | 36.7 | Very low | 31.7 | Very low | 167 Ų | 167 | 143 Ų | 143 | 73% | 0.726 | 79% | 0.787 | S | S | * | * | | | trans | 82.9 | 129.4 | 160.3 | -60.5 | -159.2 | 175.7 | -158.4 | 0 | 117.9 | | |
| 284 | E | 26.2 | Very low | 32.2 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | | | cis | 77.2 | 92 | 41.2 | -168.8 | -139.2 | 170.7 | 0 | 0 | 113 | | |
| 285 | N | 27.5 | Very low | 31.9 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | | -168.1 | 179.2 | 104.8 | -122.5 | -66.9 | 0 | 0 | 0 | 114.6 | | |
| 286 | K | 32.8 | Very low | 31.5 | Very low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | trans | -80.9 | 163.4 | 164.4 | -70.5 | -171.2 | 172.1 | -168.4 | 0 | 111.9 | | |
| 287 | G | 27.3 | Very low | 31.3 | Very low | 73 Ų | 73 | 145.8 Ų | 145.8 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -166 | 137.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 288 | D | 25.5 | Very low | 31.3 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -97 | 171.9 | -179.4 | -49.7 | -89.7 | 0 | 0 | 0 | 111.7 | | |
| 289 | G | 27.8 | Very low | 31 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | 123.8 | 141.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 290 | E | 29.7 | Very low | 31.2 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -136.7 | 155.8 | -177 | -175.2 | 178.9 | 177.9 | 0 | 0 | 110.5 | | |
| 291 | S | 31.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | 74 | 165.2 | 171.4 | 90 | 0 | 0 | 0 | 0 | 114.9 | | |
| 292 | P | 42 | Very low | 30.6 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | cis | -125.9 | 178.8 | 17.7 | 42.8 | -28.1 | 0 | 0 | 0 | 117.1 | | |
| 293 | T | 30.1 | Very low | 30.7 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -103.6 | 173 | 173.2 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 294 | P | 41 | Very low | 30.2 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | -133.2 | 130.3 | 130.8 | 34.4 | -22.7 | 0 | 0 | 0 | 111.7 | | |
| 295 | M | 28.7 | Very low | 30.3 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | | 75.3 | 144 | 96.2 | -64 | -167.5 | -63.8 | 0 | 0 | 114.6 | | |
| 296 | E | 30.8 | Very low | 30.4 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | cis | -129.1 | -175.3 | 13.2 | -142 | 146.3 | -74.8 | 0 | 0 | 113.2 | | |
| 297 | D | 28.1 | Very low | 30.1 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | | | trans | -105.7 | -167.2 | -166.5 | -144.9 | 41.8 | 0 | 0 | 0 | 111.3 | | |
| 298 | G | 29.7 | Very low | 29.9 | Very low | 54 Ų | 54 | 139.3 Ų | 139.3 | 56% | 0.557 | 76% | 0.762 | S | S | * | * | | | cis | 167.4 | -157.4 | 13.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 299 | E | 26.8 | Very low | 29.9 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | 63.7 | 151.1 | 172.5 | -75.9 | -162.7 | 105.7 | 0 | 0 | 117.2 | | |
| 300 | M | 33.8 | Very low | 29.7 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | cis | -152.2 | 124.9 | 3.9 | 29.8 | 178.9 | -72.8 | 0 | 0 | 113.7 | | |
| 301 | T | 30.5 | Very low | 29.5 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | | | trans | 57.4 | 117.9 | 137 | 67.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 302 | N | 28.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | | 76.5 | 110.4 | 122.3 | -73.6 | -51.8 | 0 | 0 | 0 | 124.3 | | |
| 303 | K | 28.9 | Very low | 29.5 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | | 73.5 | 137.3 | 123.1 | -65 | 174.4 | -179.3 | 173.1 | 0 | 121.8 | | |
| 304 | R | 27.8 | Very low | 29.5 | Very low | 225 Ų | 225 | 131.9 Ų | 131.9 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | | | trans | 113.4 | 93.3 | 130.2 | -156.3 | 174.4 | -159.5 | -163.5 | 5.1 | 118.8 | | |
| 305 | K | 27.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 70% | 0.7 | 74% | 0.742 | S | S | * | * | | | | 64 | 128.8 | 119.2 | -148.4 | -150.8 | 174 | -158 | 0 | 119.4 | | |
| 306 | Q | 28.4 | Very low | 29.1 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | trans | 90.4 | 120.8 | 156.6 | -48.5 | -167 | -134.8 | 0 | 0 | 120.7 | | |
| 307 | S | 26.3 | Very low | 29.7 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | | | | 64.9 | 133.1 | 128.9 | 64.7 | 0 | 0 | 0 | 0 | 123.9 | | |
| 308 | S | 24.8 | Very low | 30 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | trans | 71 | 101.3 | 133.5 | 63.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 309 | A | 24.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | | | | 71 | 154.2 | 114.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 310 | T | 24.3 | Very low | 30.2 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | | | trans | 63.8 | 149.3 | 171.1 | 60.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 311 | S | 23.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | cis | -164 | 166.7 | -22.7 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 312 | S | 27.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -64.8 | -172.1 | 164.1 | -27.3 | 0 | 0 | 0 | 0 | 112 | | |
| 313 | P | 47.7 | Very low | 30.8 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | cis | -142 | -165.6 | -7.5 | 34.2 | -11.2 | 0 | 0 | 0 | 115.3 | | |
| 314 | S | 28.7 | Very low | 31.3 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | | | trans | 87.5 | 163.4 | 139.8 | 86.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 315 | K | 33.9 | Very low | 31.8 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | cis | -164.2 | 126.3 | 6.1 | -141.4 | 159.7 | -166.8 | 173 | 0 | 115.4 | | |
| 316 | G | 28.3 | Very low | 32.3 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | | | trans | 53.4 | -159.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 317 | P | 44.2 | Very low | 32.8 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | cis | -142.6 | -179 | -15.8 | 39.9 | -20.7 | 0 | 0 | 0 | 117.1 | | |
| 318 | V | 33.4 | Very low | 33.2 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | | | trans | 62.7 | 148.7 | 167.2 | -110.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 319 | R | 32.7 | Very low | 33.5 | Very low | 236 Ų | 236 | 136.6 Ų | 136.6 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | | | cis | -162.2 | 164.7 | 8.8 | -174 | 173.5 | -179.7 | 162.9 | -0.1 | 108 | | |
| 320 | G | 28.7 | Very low | 34.1 | Very low | 58 Ų | 58 | 137.9 Ų | 137.9 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | | | cis | 157.5 | 160.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 321 | T | 35.9 | Very low | 34.5 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | | | trans | 62.8 | 139.4 | 171.2 | 44.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 322 | E | 32.2 | Very low | 35 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | | | cis | -162.2 | 139.8 | -8 | -156.4 | -168 | 166.5 | 0 | 0 | 112.9 | | |
| 323 | R | 36.2 | Very low | 35.5 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | trans | 57.6 | 145.7 | 163.4 | -77.6 | 140 | 112.3 | 147.1 | 3.2 | 118.2 | | |
| 324 | R | 39.8 | Very low | 34.9 | Very low | 225 Ų | 225 | 134.1 Ų | 134.1 | 85% | 0.849 | 72% | 0.721 | S | S | * | * | | | cis | -161.5 | 176.4 | 11.7 | -112.7 | 176.6 | 171.1 | 172.9 | -5 | 106.3 | | |
| 325 | K | 38.2 | Very low | 35.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | cis | -165.9 | 122.6 | -7.4 | 146.9 | -97.4 | 133.8 | -121.1 | 0 | 110.3 | | |
| 326 | R | 38 | Very low | 35.1 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 73% | 0.725 | 73% | 0.734 | S | S | * | * | | | trans | 35.7 | 146.5 | 151.9 | -93.5 | -175.4 | -94.7 | 168.6 | -8.7 | 122 | E328 | R326-E328 VanDerWaalsContact CD-OE1 3.22Å; R326-E328 WeakPolarHBondContact CD-OE1 3.2Å; R326-E328 WeakPolarHBondContact CG-OE1 3.34Å; R326-E328 WeakPolarHBondContact CG-OE2 3.37Å |
| 327 | S | 40.2 | Very low | 35.2 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | cis | -169.3 | 152.2 | 17.2 | 33.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 328 | E | 33.4 | Very low | 34.4 | Very low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | cis | -142.9 | -120.2 | -4.9 | -142.2 | 66.7 | 88 | 0 | 0 | 111.3 | R326 | R326-E328 VanDerWaalsContact CD-OE1 3.22Å; R326-E328 WeakPolarHBondContact CD-OE1 3.2Å; R326-E328 WeakPolarHBondContact CG-OE1 3.34Å; R326-E328 WeakPolarHBondContact CG-OE2 3.37Å |
| 329 | E | 31.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 50% | 0.495 | 74% | 0.739 | S | S | . | * | | | trans | -149.7 | 133.2 | -172.4 | -174.5 | -145.9 | 73.7 | 0 | 0 | 113.6 | N331 R899 K900 | E329-N331 PolarHBondContact OE1-ND2 3.35Å; E329-R899 VanDerWaalsContact CD-NH2 3.28Å; E329-R899 IonicContact OE1-CZ 2.6Å; E329-R899 IonicContact OE1-NH1 3.28Å; E329-R899 IonicContact OE1-NH2 3.05Å; E329-R899 PolarHBondContact OE1-NH2 3.04Å; E329-R899 IonicContact OE2-NH2 2.64Å; E329-R899 PolarHBondContact OE2-NH2 3.46Å; E329-K900 IonicContact OE2-NZ 3.62Å; E329-K900 PolarHBondContact OE2-NZ 3.2Å |
| 330 | S | 37.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | -174.6 | 160.7 | 144.4 | -85.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 331 | N | 33.8 | Very low | 34.5 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 47% | 0.465 | 74% | 0.739 | S | S | . | * | | | cis | -173.4 | 123.2 | -41.7 | -105.9 | -53 | 0 | 0 | 0 | 109.4 | E329 R899 | E329-N331 PolarHBondContact OE1-ND2 3.35Å; N331-R899 PolarHBondContact ND2-NH2 3.46Å; N331-R899 VanDerWaalsContact ND2-NH2 3.19Å; N331-R899 PolarHBondContact OD1-NE 3.05Å; N331-R899 PolarHBondContact OD1-NH2 3.2Å |
| 332 | G | 33.8 | Very low | 34.4 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | trans | 74.7 | 179.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 333 | G | 37.1 | Very low | 34.4 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | cis | 139.1 | 155.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 334 | E | 35.4 | Very low | 34.7 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | cis | -164.2 | 176.6 | -14.8 | -108.3 | 132.3 | 76.3 | 0 | 0 | 108.2 | | |
| 335 | A | 36.5 | Very low | 34.4 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | | | trans | -136.9 | -179.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 336 | G | 30.2 | Very low | 34.3 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -173.7 | 157.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 337 | E | 30.8 | Very low | 34.2 | Very low | 204 Ų | 204 | 122.2 Ų | 122.2 | 95% | 0.953 | 77% | 0.773 | S | S | * | * | | | trans | -147.7 | 152.6 | -163.5 | -167.3 | -169 | 151.5 | 0 | 0 | 115.1 | | |
| 338 | G | 27.9 | Very low | 34 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 96 | 150.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 339 | G | 30.2 | Very low | 34.1 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | cis | 174.8 | 161.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 340 | E | 29.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | trans | 66.7 | 155.8 | 157.2 | 66.2 | 161.2 | 81.2 | 0 | 0 | 125.3 | | |
| 341 | K | 36.1 | Very low | 35 | Very low | 167 Ų | 167 | 126.2 Ų | 126.2 | 73% | 0.726 | 79% | 0.792 | S | S | * | * | | | trans | 75.4 | 113.1 | 155.4 | 60.7 | 176 | 167.2 | -66.1 | 0 | 124.7 | | |
| 342 | S | 34.2 | Very low | 35.3 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | 116.6 | 149.7 | 132.8 | -156.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 343 | G | 32.7 | Very low | 35.5 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | 96.3 | 111.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 344 | K | 42.7 | Very low | 35.7 | Very low | 218 Ų | 218 | 139.8 Ų | 139.8 | 95% | 0.948 | 83% | 0.827 | S | S | * | * | | | trans | -109 | 126.3 | 165.7 | -64 | 176.6 | -176 | 174.9 | 0 | 109.5 | | |
| 345 | A | 34.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | | | trans | -141.4 | 124 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 346 | L | 35.6 | Very low | 36.1 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | -89.4 | 124.7 | 177.6 | 176.2 | 80.2 | 0 | 0 | 0 | 109.2 | | |
| 347 | V | 34.9 | Very low | 36.7 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -158.9 | 148.1 | 154.7 | 124.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 348 | R | 36 | Very low | 37.1 | Very low | 195 Ų | 195 | 142 Ų | 142 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | | | trans | -76.6 | 142 | 173.2 | -61.7 | 135.7 | 49.1 | -108.5 | -0.3 | 110 | | |
| 349 | Q | 35.3 | Very low | 37.7 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | | -169.3 | 157.9 | 107.7 | -105 | 174.2 | -78.9 | 0 | 0 | 111.1 | | |
| 350 | G | 47.3 | Very low | 38.2 | Very low | 73 Ų | 73 | 147.7 Ų | 147.7 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | trans | -82 | 147.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 351 | S | 41.6 | Very low | 39.2 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | | | trans | -137.6 | 125.6 | 172.4 | -64.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 352 | F | 38.8 | Very low | 39.9 | Very low | 215 Ų | 215 | 142 Ų | 142 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | | | trans | -67.9 | 141.4 | 174 | -71.6 | -106.6 | 0 | 0 | 0 | 109.9 | | |
| 353 | T | 39.2 | Very low | 40.6 | Very low | 136 Ų | 136 | 141 Ų | 141 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -130.8 | 127.7 | 161.8 | 34 | 0 | 0 | 0 | 0 | 109.3 | E355 | T353-E355 PolarHBondContact O-N 3.35Š|
| 354 | I | 40.7 | Very low | 41.7 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | trans | -77.9 | 106.4 | 178 | -63.4 | 165.7 | 0 | 0 | 0 | 107.7 | | |
| 355 | E | 37.6 | Very low | 42 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -73.1 | 135.5 | 174.9 | -170.1 | 160.6 | -150.6 | 0 | 0 | 110.4 | T353 | T353-E355 PolarHBondContact O-N 3.35Š|
| 356 | K | 42.6 | Very low | 42.7 | Very low | 170 Ų | 170 | 144 Ų | 144 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | trans | -113.2 | 125.8 | -179.3 | -65.7 | 168.2 | -176.9 | 169.2 | 0 | 107.7 | S358 | K356-S358 PolarHBondContact O-N 3.23Š|
| 357 | P | 43.3 | Very low | 43.1 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -67.4 | 107.7 | 178.7 | 26.9 | -33.3 | 0 | 0 | 0 | 110.1 | S359 | P357-S359 PolarHBondContact O-N 3.49Š|
| 358 | S | 39.6 | Very low | 43.4 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | trans | -86.7 | 103.5 | 176.9 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | K356 N360 | K356-S358 PolarHBondContact O-N 3.23Å; S358-N360 PolarHBondContact O-N 2.83Å; S358-N360 VanDerWaalsContact O-N 3.11Å |
| 359 | S | 40.3 | Very low | 43.2 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -73.2 | 99.4 | 173.6 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | P357 | P357-S359 PolarHBondContact O-N 3.49Š|
| 360 | N | 39.3 | Very low | 43 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | -161.7 | 110.1 | 158.2 | -114.2 | -83.7 | 0 | 0 | 0 | 111.9 | S358 | S358-N360 PolarHBondContact O-N 2.83Å; S358-N360 VanDerWaalsContact O-N 3.11Å |
| 361 | V | 52.2 | Low | 42.4 | Very low | 127 Ų | 127 | 151 Ų | 151 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -130.2 | 126.1 | 162.7 | 178.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 362 | P | 50.8 | Low | 42 | Very low | 84 Ų | 84 | 148.9 Ų | 148.9 | 55% | 0.545 | 80% | 0.795 | S | S | . | * | | | trans | -69 | 143 | -176.9 | 27.4 | -34.1 | 0 | 0 | 0 | 111.5 | E364 | P362-E364 PolarHBondContact O-N 2.93Š|
| 363 | P | 49.2 | Very low | 41.8 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -75.2 | 4.7 | -167.7 | 30.8 | -37.5 | 0 | 0 | 0 | 115.5 | | |
| 364 | E | 54.8 | Low | 41.5 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -93.2 | -5.2 | -168.3 | -58.7 | -168.4 | 149.9 | 0 | 0 | 114.6 | P362 | P362-E364 PolarHBondContact O-N 2.93Š|
| 365 | L | 48.3 | Very low | 41 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -97.7 | 10.8 | 177.7 | -69.1 | 176.3 | 0 | 0 | 0 | 114.5 | | |
| 366 | I | 49.6 | Very low | 41.6 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 65% | 0.646 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -100.7 | 116.9 | 174.2 | -57.2 | 178.7 | 0 | 0 | 0 | 109.5 | R368 | I366-R368 PolarHBondContact O-N 3.01Š|
| 367 | P | 43.4 | Very low | 41.1 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -59.6 | 129.8 | -179.3 | -26 | 35.3 | 0 | 0 | 0 | 113.5 | | |
| 368 | R | 41 | Very low | 41.3 | Very low | 225 Ų | 225 | 155.3 Ų | 155.3 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | | | trans | -127.2 | 86.9 | -178.6 | -77.6 | -178 | 163.2 | -159.9 | -2.1 | 112.4 | I366 | I366-R368 PolarHBondContact O-N 3.01Š|
| 369 | I | 32.1 | Very low | 41 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -151.7 | 129.1 | 171.9 | -46.2 | 176.7 | 0 | 0 | 0 | 107.2 | | |
| 370 | N | 32.4 | Very low | 40.9 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | cis | -145.5 | 144.9 | -15.3 | -108.5 | -13.4 | 0 | 0 | 0 | 107.2 | | |
| 371 | R | 33.7 | Very low | 40.8 | Very low | 236 Ų | 236 | 154.8 Ų | 154.8 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -109.4 | 111.6 | 164.9 | -146.8 | -177.3 | -154 | -82.8 | 4.3 | 108.3 | | |
| 372 | G | 33 | Very low | 40.6 | Very low | 68 Ų | 68 | 156 Ų | 156 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | -70 | 143.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 373 | N | 34.6 | Very low | 40.2 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -89.1 | 130.3 | 174.3 | -55.8 | -29.4 | 0 | 0 | 0 | 109.1 | | |
| 374 | N | 33.6 | Very low | 40.3 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 171.5 | 176.2 | 139.2 | -88 | -10 | 0 | 0 | 0 | 110.9 | | |
| 375 | E | 29.8 | Very low | 40.6 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | 61.4 | 105.3 | 174.3 | -124.8 | 62 | -117.6 | 0 | 0 | 117.7 | E377 | E375-E377 PolarHBondContact O-N 3.4Š|
| 376 | R | 50.3 | Low | 41.8 | Very low | 227 Ų | 227 | 149.8 Ų | 149.8 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -77.4 | 108.9 | 170.8 | 167.2 | -153 | -64.4 | -148.9 | -6.6 | 109.8 | | |
| 377 | E | 32.4 | Very low | 43.2 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -129 | 157.3 | 145 | -71.7 | -148.2 | 123.6 | 0 | 0 | 110.3 | E375 | E375-E377 PolarHBondContact O-N 3.4Š|
| 378 | R | 47.1 | Very low | 44.9 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | | | trans | -101.7 | 120.6 | -172.8 | -74.1 | 174.9 | 169.4 | 157.3 | -6.9 | 110.4 | | |
| 379 | S | 33.5 | Very low | 47 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | | | trans | -144.3 | 97.3 | 166.1 | -53 | 0 | 0 | 0 | 0 | 110.5 | S381 | S379-S381 PolarHBondContact O-N 3.15Š|
| 380 | D | 38.2 | Very low | 49.5 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | | | trans | 47.1 | 48.4 | 131.2 | -49.4 | -20.1 | 0 | 0 | 0 | 118 | V382 | D380-V382 PolarHBondContact O-N 3.41Å; D380-V382 VanDerWaalsContact O-N 3.11Å |
| 381 | S | 36.2 | Very low | 52.3 | Low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -67.9 | 104.5 | 155 | 61.7 | 0 | 0 | 0 | 0 | 109 | S379 G383 | S379-S381 PolarHBondContact O-N 3.15Å; S381-G383 PolarHBondContact O-N 3.17Å |
| 382 | V | 47.8 | Very low | 54.9 | Low | 152 Ų | 152 | 128.6 Ų | 128.6 | 92% | 0.921 | 71% | 0.706 | S | S | * | * | | | trans | -66 | 73.3 | 165.7 | -84.2 | 0 | 0 | 0 | 0 | 110 | D380 | D380-V382 PolarHBondContact O-N 3.41Å; D380-V382 VanDerWaalsContact O-N 3.11Å |
| 383 | G | 42.5 | Very low | 57.8 | Low | 58 Ų | 58 | 129.7 Ų | 129.7 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | | | trans | -91.6 | 117.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S381 M385 | S381-G383 PolarHBondContact O-N 3.17Å; G383-M385 PolarHBondContact O-N 3.23Å |
| 384 | S | 51.8 | Low | 60.6 | Low | 120 Ų | 120 | 125.9 Ų | 125.9 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | | | trans | 38.1 | 67.8 | 153.3 | -173.6 | 0 | 0 | 0 | 0 | 115.3 | D386 | S384-D386 PolarHBondContact O-N 3.39Å; S384-D386 VanDerWaalsContact O-N 3.11Å |
| 385 | M | 62.2 | Low | 63.3 | Low | 131 Ų | 131 | 124.6 Ų | 124.6 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | | | trans | -61.2 | 116.9 | 174.2 | -167.2 | 146.7 | 68.5 | 0 | 0 | 109.8 | G383 T389 L390 | G383-M385 PolarHBondContact O-N 3.23Å; M385-T389 WeakPolarHBondContact CG-OG1 3.41Å; M385-L390 HydrophobicContact CE-CD1 4.37Å |
| 386 | D | 73.6 | Confident | 66.3 | Low | 88 Ų | 88 | 118.8 Ų | 118.8 | 47% | 0.471 | 65% | 0.649 | S | S | . | * | | | trans | -62.1 | 135.2 | -177.7 | 178.5 | 1.2 | 0 | 0 | 0 | 109.5 | S384 A388 T389 L390 | S384-D386 PolarHBondContact O-N 3.39Å; S384-D386 VanDerWaalsContact O-N 3.11Å; D386-A388 PolarHBondContact O-N 3.27Å; D386-A388 PolarHBondContact OD1-N 3.19Å; D386-T389 HydrophobicContact CB-CG2 4.13Å; D386-T389 PolarHBondContact N-OG1 2.86Å; D386-T389 WeakPolarHBondContact O-CA 3.45Å; D386-T389 PolarHBondContact O-N 3.07Å; D386-T389 PolarHBondContact O-OG1 2.94Å; D386-L390 PolarHBondContact O-N 3.49Å |
| 387 | T | 77.8 | Confident | 68.4 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 66% | 0.656 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.6 | -29.1 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | T389 L390 L391 | T387-T389 VanDerWaalsContact C-N 3.34Å; T387-L390 PolarHBondContact O-N 3.24Å; T387-L391 WeakPolarHBondContact O-CB 3.23Å; T387-L391 VanDerWaalsContact O-CG 3.31Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.39Å |
| 388 | A | 80.1 | Confident | 71.1 | Confident | 55 Ų | 55 | 108.9 Ų | 108.9 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.3 | -30.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D386 K392 | D386-A388 PolarHBondContact O-N 3.27Å; D386-A388 PolarHBondContact OD1-N 3.19Å; A388-K392 WeakPolarHBondContact O-CB 3.38Å; A388-K392 PolarHBondContact O-N 2.88Å |
| 389 | T | 84.3 | Confident | 73.1 | Confident | 59 Ų | 59 | 100.2 Ų | 100.2 | 36% | 0.362 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.1 | -43.9 | 172.9 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | M385 D386 T387 L391 K392 D393 | M385-T389 WeakPolarHBondContact CG-OG1 3.41Å; D386-T389 HydrophobicContact CB-CG2 4.13Å; D386-T389 PolarHBondContact N-OG1 2.86Å; D386-T389 WeakPolarHBondContact O-CA 3.45Å; D386-T389 PolarHBondContact O-N 3.07Å; D386-T389 PolarHBondContact O-OG1 2.94Å; T387-T389 VanDerWaalsContact C-N 3.34Å; T389-L391 VanDerWaalsContact C-N 3.32Å; T389-L391 PolarHBondContact O-N 3.01Å; T389-K392 WeakPolarHBondContact O-CB 3.29Å; T389-K392 PolarHBondContact O-N 3.4Å; T389-D393 PolarHBondContact O-N 3.04Å |
| 390 | L | 85.3 | Confident | 75.9 | Confident | 91 Ų | 91 | 101.4 Ų | 101.4 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.9 | -40.5 | 177.2 | 179.7 | 61.5 | 0 | 0 | 0 | 112.7 | M385 D386 T387 T394 | M385-L390 HydrophobicContact CE-CD1 4.37Å; D386-L390 PolarHBondContact O-N 3.49Å; T387-L390 PolarHBondContact O-N 3.24Å; L390-T394 WeakPolarHBondContact O-CB 3.5Å; L390-T394 PolarHBondContact O-N 3.26Å; L390-T394 PolarHBondContact O-OG1 2.86Å |
| 391 | L | 89.7 | Confident | 78.4 | Confident | 124 Ų | 124 | 98.6 Ų | 98.6 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.8 | -39.7 | 174 | -73.5 | 170.8 | 0 | 0 | 0 | 111.8 | T387 T389 T394 E395 | T387-L391 WeakPolarHBondContact O-CB 3.23Å; T387-L391 VanDerWaalsContact O-CG 3.31Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.39Å; T389-L391 VanDerWaalsContact C-N 3.32Å; T389-L391 PolarHBondContact O-N 3.01Å; L391-T394 WeakPolarHBondContact O-CB 3.46Å; L391-T394 PolarHBondContact O-N 2.82Å; L391-E395 PolarHBondContact O-N 3.13Å |
| 392 | K | 89.7 | Confident | 80.9 | Confident | 142 Ų | 142 | 98 Ų | 98 | 62% | 0.617 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -37.2 | 178.2 | -121.6 | 173.6 | -177.5 | 173 | 0 | 113.5 | A388 T389 T394 E395 A396 | A388-K392 WeakPolarHBondContact O-CB 3.38Å; A388-K392 PolarHBondContact O-N 2.88Å; T389-K392 WeakPolarHBondContact O-CB 3.29Å; T389-K392 PolarHBondContact O-N 3.4Å; K392-T394 VanDerWaalsContact C-N 3.3Å; K392-E395 PolarHBondContact O-N 3.48Å; K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.34Å; K392-A396 PolarHBondContact O-N 2.92Å |
| 393 | D | 93.2 | Very high | 82.5 | Confident | 92 Ų | 92 | 92.9 Ų | 92.9 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.6 | -34.2 | 175.1 | -70.4 | -11.3 | 0 | 0 | 0 | 110.3 | T389 A396 V397 | T389-D393 PolarHBondContact O-N 3.04Å; D393-A396 PolarHBondContact O-N 3.44Å; D393-V397 WeakPolarHBondContact O-CB 3.31Å; D393-V397 VanDerWaalsContact O-CG2 3.25Å; D393-V397 WeakPolarHBondContact O-CG2 3.2Å; D393-V397 PolarHBondContact O-N 3.39Å |
| 394 | T | 93.3 | Very high | 84.4 | Confident | 69 Ų | 69 | 96.6 Ų | 96.6 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 171.8 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | L390 L391 K392 V397 M398 | L390-T394 WeakPolarHBondContact O-CB 3.5Å; L390-T394 PolarHBondContact O-N 3.26Å; L390-T394 PolarHBondContact O-OG1 2.86Å; L391-T394 WeakPolarHBondContact O-CB 3.46Å; L391-T394 PolarHBondContact O-N 2.82Å; K392-T394 VanDerWaalsContact C-N 3.3Å; T394-V397 PolarHBondContact O-N 3.4Å; T394-M398 HydrophobicContact CG2-CE 4.41Å; T394-M398 WeakPolarHBondContact O-CG 3.49Å; T394-M398 PolarHBondContact O-N 2.89Å |
| 395 | E | 90.3 | Very high | 85.5 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58 | -46.4 | 172.3 | -175.6 | -175.6 | -173.2 | 0 | 0 | 111.4 | L391 K392 V397 M398 A399 | L391-E395 PolarHBondContact O-N 3.13Å; K392-E395 PolarHBondContact O-N 3.48Å; E395-V397 PolarHBondContact O-N 2.94Å; E395-M398 PolarHBondContact O-N 3.06Å; E395-A399 WeakPolarHBondContact O-CB 3.35Å; E395-A399 PolarHBondContact O-N 2.95Å |
| 396 | A | 92.7 | Very high | 85.8 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K392 D393 F400 | K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.34Å; K392-A396 PolarHBondContact O-N 2.92Å; D393-A396 PolarHBondContact O-N 3.44Å; A396-F400 VanDerWaalsContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CB 3.19Å; A396-F400 PolarHBondContact O-N 3.32Å |
| 397 | V | 94.4 | Very high | 85.3 | Confident | 89 Ų | 89 | 97.3 Ų | 97.3 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.6 | 166.3 | 0 | 0 | 0 | 0 | 111.2 | D393 T394 E395 F400 L401 | D393-V397 WeakPolarHBondContact O-CB 3.31Å; D393-V397 VanDerWaalsContact O-CG2 3.25Å; D393-V397 WeakPolarHBondContact O-CG2 3.2Å; D393-V397 PolarHBondContact O-N 3.39Å; T394-V397 PolarHBondContact O-N 3.4Å; E395-V397 PolarHBondContact O-N 2.94Å; V397-F400 PolarHBondContact O-N 3.34Å; V397-L401 HydrophobicContact CG1-CD1 4.15Å; V397-L401 WeakPolarHBondContact O-CG 3.39Å; V397-L401 PolarHBondContact O-N 3.06Å |
| 398 | M | 89.9 | Confident | 84.5 | Confident | 118 Ų | 118 | 97.8 Ų | 97.8 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 174.5 | -69.7 | -169.7 | -61.9 | 0 | 0 | 111.8 | T394 E395 F400 L401 E402 | T394-M398 HydrophobicContact CG2-CE 4.41Å; T394-M398 WeakPolarHBondContact O-CG 3.49Å; T394-M398 PolarHBondContact O-N 2.89Å; E395-M398 PolarHBondContact O-N 3.06Å; M398-F400 VanDerWaalsContact C-N 3.32Å; M398-F400 PolarHBondContact O-N 2.84Å; M398-L401 PolarHBondContact O-N 3.47Å; M398-E402 PolarHBondContact O-N 3.43Å |
| 399 | A | 87.9 | Confident | 83.3 | Confident | 56 Ų | 56 | 99.6 Ų | 99.6 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E395 A403 | E395-A399 WeakPolarHBondContact O-CB 3.35Å; E395-A399 PolarHBondContact O-N 2.95Å; A399-A403 VanDerWaalsContact O-CB 3.23Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.14Å |
| 400 | F | 92.6 | Very high | 81.8 | Confident | 131 Ų | 131 | 103 Ų | 103 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.7 | -40.7 | 173.4 | 178.1 | -101.9 | 0 | 0 | 0 | 112.3 | A396 V397 M398 A403 K404 | A396-F400 VanDerWaalsContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CB 3.19Å; A396-F400 PolarHBondContact O-N 3.32Å; V397-F400 PolarHBondContact O-N 3.34Å; M398-F400 VanDerWaalsContact C-N 3.32Å; M398-F400 PolarHBondContact O-N 2.84Å; F400-A403 PolarHBondContact O-N 3.11Å; F400-K404 HydrophobicContact CE1-CD 4.27Å; F400-K404 HydrophobicContact CZ-CD 4.42Å; F400-K404 VanDerWaalsContact O-CB 3.27Å; F400-K404 WeakPolarHBondContact O-CB 3.45Å; F400-K404 PolarHBondContact O-N 2.68Å |
| 401 | L | 92.1 | Very high | 80.1 | Confident | 96 Ų | 96 | 105.4 Ų | 105.4 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 174.7 | -73.2 | 167.7 | 0 | 0 | 0 | 111.5 | V397 M398 K404 L405 | V397-L401 HydrophobicContact CG1-CD1 4.15Å; V397-L401 WeakPolarHBondContact O-CG 3.39Å; V397-L401 PolarHBondContact O-N 3.06Å; M398-L401 PolarHBondContact O-N 3.47Å; L401-K404 PolarHBondContact O-N 2.92Å; L401-L405 WeakPolarHBondContact O-CG 3.35Å; L401-L405 PolarHBondContact O-N 3.45Å |
| 402 | E | 86.9 | Confident | 78.2 | Confident | 98 Ų | 98 | 105.1 Ų | 105.1 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 174.9 | -159.9 | -157.2 | 145.3 | 0 | 0 | 111.1 | M398 K404 L405 R406 | M398-E402 PolarHBondContact O-N 3.43Å; E402-K404 VanDerWaalsContact C-N 3.26Å; E402-K404 PolarHBondContact O-N 3.11Å; E402-L405 PolarHBondContact O-N 3.45Å; E402-R406 HydrophobicContact CG-CG 4.27Å; E402-R406 WeakPolarHBondContact O-CB 3.42Å; E402-R406 WeakPolarHBondContact O-CG 3.36Å; E402-R406 PolarHBondContact O-N 2.91Å; E402-R406 IonicContact OE1-CZ 2.75Å; E402-R406 IonicContact OE1-NE 3.44Å; E402-R406 PolarHBondContact OE1-NE 2.64Å; E402-R406 IonicContact OE1-NH2 2.71Å; E402-R406 PolarHBondContact OE1-NH2 3.36Å |
| 403 | A | 81.6 | Confident | 76 | Confident | 46 Ų | 46 | 105.7 Ų | 105.7 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.8 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A399 F400 R406 D407 | A399-A403 VanDerWaalsContact O-CB 3.23Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.14Å; F400-A403 PolarHBondContact O-N 3.11Å; A403-R406 WeakPolarHBondContact O-CB 3.48Å; A403-R406 PolarHBondContact O-N 3.44Å; A403-D407 WeakPolarHBondContact O-CB 3.47Å; A403-D407 PolarHBondContact O-N 3.09Å |
| 404 | K | 82.8 | Confident | 73.4 | Confident | 135 Ų | 135 | 110.8 Ų | 110.8 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.5 | -39.7 | 179.1 | -163.5 | 174.9 | -176.4 | -174.6 | 0 | 112.8 | F400 L401 E402 D407 E408 | F400-K404 HydrophobicContact CE1-CD 4.27Å; F400-K404 HydrophobicContact CZ-CD 4.42Å; F400-K404 VanDerWaalsContact O-CB 3.27Å; F400-K404 WeakPolarHBondContact O-CB 3.45Å; F400-K404 PolarHBondContact O-N 2.68Å; L401-K404 PolarHBondContact O-N 2.92Å; E402-K404 VanDerWaalsContact C-N 3.26Å; E402-K404 PolarHBondContact O-N 3.11Å; K404-D407 PolarHBondContact O-N 3.48Å; K404-E408 PolarHBondContact O-N 2.93Å |
| 405 | L | 74.6 | Confident | 70.6 | Confident | 102 Ų | 102 | 111.6 Ų | 111.6 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.2 | -35.2 | 171.9 | -71.9 | 165.4 | 0 | 0 | 0 | 112.2 | L401 E402 N409 | L401-L405 WeakPolarHBondContact O-CG 3.35Å; L401-L405 PolarHBondContact O-N 3.45Å; E402-L405 PolarHBondContact O-N 3.45Å; L405-N409 WeakPolarHBondContact O-CB 3.27Å; L405-N409 PolarHBondContact O-N 3.03Å; L405-N409 PolarHBondContact O-ND2 3.28Å |
| 406 | R | 69.4 | Low | 68 | Low | 151 Ų | 151 | 113.1 Ų | 113.1 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.4 | -31.8 | 175.4 | -64.7 | -88.6 | -165.2 | 178.2 | 3.5 | 112.1 | E402 A403 K410 | E402-R406 HydrophobicContact CG-CG 4.27Å; E402-R406 WeakPolarHBondContact O-CB 3.42Å; E402-R406 WeakPolarHBondContact O-CG 3.36Å; E402-R406 PolarHBondContact O-N 2.91Å; E402-R406 IonicContact OE1-CZ 2.75Å; E402-R406 IonicContact OE1-NE 3.44Å; E402-R406 PolarHBondContact OE1-NE 2.64Å; E402-R406 IonicContact OE1-NH2 2.71Å; E402-R406 PolarHBondContact OE1-NH2 3.36Å; A403-R406 WeakPolarHBondContact O-CB 3.48Å; A403-R406 PolarHBondContact O-N 3.44Å; R406-K410 VanDerWaalsContact O-CE 3.28Å; R406-K410 WeakPolarHBondContact O-CE 3.25Å; R406-K410 VanDerWaalsContact O-CG 3.27Å; R406-K410 WeakPolarHBondContact O-CG 3.36Å; R406-K410 PolarHBondContact O-N 2.86Å |
| 407 | D | 63.7 | Low | 65 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 54% | 0.54 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -83.6 | -34 | 178.6 | -80.4 | -10.8 | 0 | 0 | 0 | 113.1 | A403 K404 K410 L411 | A403-D407 WeakPolarHBondContact O-CB 3.47Å; A403-D407 PolarHBondContact O-N 3.09Å; K404-D407 PolarHBondContact O-N 3.48Å; D407-K410 WeakPolarHBondContact O-CB 3.35Å; D407-K410 PolarHBondContact O-N 2.86Å; D407-K410 VanDerWaalsContact O-N 3.12Å; D407-K410 WeakPolarHBondContact OD1-CD 3.04Å; D407-K410 WeakPolarHBondContact OD1-CE 3.33Å; D407-L411 PolarHBondContact O-N 3.49Å |
| 408 | E | 59.8 | Low | 62 | Low | 117 Ų | 117 | 120.5 Ų | 120.5 | 55% | 0.547 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -56 | -52.2 | 165.7 | -178.5 | -179.6 | -123.4 | 0 | 0 | 110.4 | K404 K410 L411 | K404-E408 PolarHBondContact O-N 2.93Å; E408-K410 PolarHBondContact O-N 3.39Å; E408-L411 PolarHBondContact O-N 2.77Å |
| 409 | N | 55.4 | Low | 59.9 | Low | 93 Ų | 93 | 120.1 Ų | 120.1 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.5 | -10.3 | 175.8 | -89.2 | -92.2 | 0 | 0 | 0 | 115 | L405 Q413 | L405-N409 WeakPolarHBondContact O-CB 3.27Å; L405-N409 PolarHBondContact O-N 3.03Å; L405-N409 PolarHBondContact O-ND2 3.28Å; N409-Q413 WeakPolarHBondContact O-CG 3.19Å; N409-Q413 PolarHBondContact O-NE2 3.11Å |
| 410 | K | 53.4 | Low | 57.7 | Low | 131 Ų | 131 | 122.7 Ų | 122.7 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -93 | -24.1 | 173 | -72.9 | 167.2 | -155 | -58.8 | 0 | 113.1 | R406 D407 E408 | R406-K410 VanDerWaalsContact O-CE 3.28Å; R406-K410 WeakPolarHBondContact O-CE 3.25Å; R406-K410 VanDerWaalsContact O-CG 3.27Å; R406-K410 WeakPolarHBondContact O-CG 3.36Å; R406-K410 PolarHBondContact O-N 2.86Å; D407-K410 WeakPolarHBondContact O-CB 3.35Å; D407-K410 PolarHBondContact O-N 2.86Å; D407-K410 VanDerWaalsContact O-N 3.12Å; D407-K410 WeakPolarHBondContact OD1-CD 3.04Å; D407-K410 WeakPolarHBondContact OD1-CE 3.33Å; E408-K410 PolarHBondContact O-N 3.39Å |
| 411 | L | 49.7 | Very low | 54.6 | Low | 141 Ų | 141 | 122.5 Ų | 122.5 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.6 | -45.5 | -179.9 | -126.7 | 167 | 0 | 0 | 0 | 110.2 | D407 E408 Q413 K414 | D407-L411 PolarHBondContact O-N 3.49Å; E408-L411 PolarHBondContact O-N 2.77Å; L411-Q413 PolarHBondContact O-N 2.93Å; L411-K414 PolarHBondContact O-N 3.12Å |
| 412 | D | 49.3 | Very low | 51.8 | Low | 118 Ų | 118 | 121.9 Ų | 121.9 | 63% | 0.631 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -64.7 | -26.3 | 178.1 | -68.1 | -19.4 | 0 | 0 | 0 | 113.3 | K414 | D412-K414 VanDerWaalsContact C-N 3.27Å; D412-K414 PolarHBondContact O-N 3.24Å |
| 413 | Q | 43.6 | Very low | 49.1 | Very low | 155 Ų | 155 | 122 Ų | 122 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -80.1 | 4.8 | -178.5 | -75.7 | -173.5 | 67.6 | 0 | 0 | 115.2 | N409 L411 | N409-Q413 WeakPolarHBondContact O-CG 3.19Å; N409-Q413 PolarHBondContact O-NE2 3.11Å; L411-Q413 PolarHBondContact O-N 2.93Å |
| 414 | K | 37.6 | Very low | 46.6 | Very low | 198 Ų | 198 | 128.2 Ų | 128.2 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -100 | -2.7 | 177.7 | -157.5 | 154.9 | -175.6 | 176.6 | 0 | 115.5 | L411 D412 | L411-K414 PolarHBondContact O-N 3.12Å; D412-K414 VanDerWaalsContact C-N 3.27Å; D412-K414 PolarHBondContact O-N 3.24Å |
| 415 | S | 34.4 | Very low | 43.9 | Very low | 87 Ų | 87 | 125 Ų | 125 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -126 | 111.2 | 152.7 | 54.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 416 | I | 35.6 | Very low | 42.1 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | | | | -154.2 | 143.9 | 65.3 | -79.9 | 146.2 | 0 | 0 | 0 | 111.7 | | |
| 417 | K | 30.6 | Very low | 40.1 | Very low | 188 Ų | 188 | 126.6 Ų | 126.6 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | | | trans | -145.5 | 139.9 | 156.5 | -94.5 | -165.3 | 174.3 | -178.7 | 0 | 107.1 | | |
| 418 | T | 31.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | | | cis | -172.3 | -171.7 | -7 | 16.8 | 0 | 0 | 0 | 0 | 105.4 | | |
| 419 | P | 44.9 | Very low | 36.7 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | | | | -126.1 | -143.2 | -72.7 | 44.3 | -24.7 | 0 | 0 | 0 | 108 | | |
| 420 | P | 42 | Very low | 35.3 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | cis | -127.2 | 145.1 | -23 | 33.9 | -16.3 | 0 | 0 | 0 | 115 | | |
| 421 | S | 27.6 | Very low | 34.1 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | | | | -124.9 | 149.3 | 126.2 | -170.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 422 | A | 33.6 | Very low | 33.8 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | trans | -162.9 | 155 | -164 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 423 | S | 29.8 | Very low | 33 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | cis | -167.2 | -154.7 | -12.5 | 53.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 424 | I | 29.3 | Very low | 32.7 | Very low | 175 Ų | 175 | 128.4 Ų | 128.4 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | | | trans | 77.2 | 130.5 | -179.3 | -46.1 | 162 | 0 | 0 | 0 | 112.4 | | |
| 425 | G | 26.1 | Very low | 33.8 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | cis | 179.8 | 153.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 426 | L | 36.4 | Very low | 33.7 | Very low | 189 Ų | 189 | 121.4 Ų | 121.4 | 99% | 0.99 | 73% | 0.725 | S | S | * | * | | | trans | -77 | 119.4 | 174.6 | -88.3 | 155 | 0 | 0 | 0 | 111.5 | | |
| 427 | A | 26.9 | Very low | 34.1 | Very low | 97 Ų | 97 | 118 Ų | 118 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | | | trans | -166.3 | 134.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 428 | A | 25.5 | Very low | 35 | Very low | 80 Ų | 80 | 116 Ų | 116 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | | | cis | -152.9 | 169.5 | -11 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 429 | R | 27 | Very low | 35.6 | Very low | 227 Ų | 227 | 115.9 Ų | 115.9 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | | | | 43.9 | 128.2 | 101.7 | -56.9 | -179.1 | 94 | 167.2 | 6.7 | 113.9 | | |
| 430 | T | 27.5 | Very low | 35.2 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 61% | 0.607 | 72% | 0.716 | S | S | * | * | | | cis | -169 | 156.9 | 17.1 | 10.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 431 | D | 28.1 | Very low | 35 | Very low | 135 Ų | 135 | 118.9 Ų | 118.9 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | trans | 45 | 115.1 | 140.9 | -44.6 | -20.6 | 0 | 0 | 0 | 122.1 | | |
| 432 | S | 41.9 | Very low | 35.2 | Very low | 110 Ų | 110 | 116.9 Ų | 116.9 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | | | trans | 68.4 | 163.4 | 139.3 | -45.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 433 | I | 33.6 | Very low | 35.3 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | | | cis | -147.2 | 166 | 9 | -13.2 | 76.4 | 0 | 0 | 0 | 109.9 | | |
| 434 | S | 37 | Very low | 35.5 | Very low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | | | trans | -71.4 | 177.8 | 165 | -35.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 435 | P | 60.7 | Low | 35.5 | Very low | 68 Ų | 68 | 115.7 Ų | 115.7 | 44% | 0.442 | 71% | 0.714 | S | S | . | * | | | cis | -147.2 | -161.3 | 15.5 | 40.3 | -16.1 | 0 | 0 | 0 | 116.6 | L525 D526 | P435-L525 CarbonylContact O-C 3.07Å; P435-D526 PolarHBondContact O-N 2.87Å |
| 436 | E | 31.7 | Very low | 35.7 | Very low | 70 Ų | 70 | 117.3 Ų | 117.3 | 33% | 0.327 | 72% | 0.715 | S | S | . | * | | | trans | 64 | 145.1 | 160.1 | 62.4 | -179.8 | 74.2 | 0 | 0 | 119.9 | Q522 P523 S524 | E436-Q522 VanDerWaalsContact CD-NE2 3.3Å; E436-Q522 PolarHBondContact OE1-NE2 3.46Å; E436-Q522 PolarHBondContact OE2-NE2 2.56Å; E436-P523 VanDerWaalsContact OE2-C 3.3Å; E436-P523 WeakPolarHBondContact OE2-CA 3.42Å; E436-S524 PolarHBondContact OE2-N 2.92Å |
| 437 | S | 44.2 | Very low | 35.3 | Very low | 87 Ų | 87 | 118 Ų | 118 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | | | cis | -173.4 | 142.9 | -12.5 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 438 | D | 49.5 | Very low | 35.5 | Very low | 146 Ų | 146 | 118 Ų | 118 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | | | trans | 58.3 | 143.7 | 141 | -142.6 | 15.1 | 0 | 0 | 0 | 124.6 | | |
| 439 | V | 44.8 | Very low | 35.7 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 66% | 0.655 | 72% | 0.724 | S | S | * | * | | | trans | 26.4 | 128.2 | 167.7 | -74.6 | 0 | 0 | 0 | 0 | 125.6 | | |
| 440 | D | 36.3 | Very low | 35.8 | Very low | 149 Ų | 149 | 113 Ų | 113 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | | | trans | 38.2 | 137 | 132.4 | -67.9 | -39 | 0 | 0 | 0 | 123.7 | | |
| 441 | T | 36.6 | Very low | 35.9 | Very low | 134 Ų | 134 | 117 Ų | 117 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | | 137.1 | 135.6 | 128 | -57.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 442 | A | 33.3 | Very low | 36.1 | Very low | 85 Ų | 85 | 115.4 Ų | 115.4 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | 67.9 | 124.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 443 | S | 34.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 114 Ų | 114 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | cis | 76 | 97.9 | 38.2 | -56 | 0 | 0 | 0 | 0 | 115.4 | | |
| 444 | T | 34.2 | Very low | 35.5 | Very low | 137 Ų | 137 | 110.2 Ų | 110.2 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | | | trans | -177.4 | 131.5 | 131.6 | 32.1 | 0 | 0 | 0 | 0 | 107 | | |
| 445 | A | 31.2 | Very low | 35.4 | Very low | 85 Ų | 85 | 115.1 Ų | 115.1 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | | 59 | 132.5 | 63 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 446 | S | 28.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -166.3 | 168 | -7.6 | -86.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 447 | H | 29.1 | Very low | 33.9 | Very low | 203 Ų | 203 | 119.1 Ų | 119.1 | 94% | 0.94 | 78% | 0.784 | S | S | * | * | | | trans | -148.2 | 133.9 | 143.9 | -105.2 | -70 | 0 | 0 | 0 | 111.8 | | |
| 448 | A | 29.9 | Very low | 33.3 | Very low | 98 Ų | 98 | 122 Ų | 122 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -132.6 | 137.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 449 | A | 30.2 | Very low | 32.5 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -155.9 | 156.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 450 | A | 30.1 | Very low | 31.7 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -122.2 | 179.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 451 | E | 29.3 | Very low | 31.5 | Very low | 184 Ų | 184 | 116.8 Ų | 116.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | 57.5 | 95.2 | 151.4 | -81.7 | -76.3 | 99.4 | 0 | 0 | 118.1 | | |
| 452 | A | 32.1 | Very low | 31.4 | Very low | 100 Ų | 100 | 118 Ų | 118 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | | -179.9 | 145.6 | 115.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 453 | G | 31.7 | Very low | 31.3 | Very low | 81 Ų | 81 | 122.4 Ų | 122.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -95.7 | 128.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 454 | G | 31.7 | Very low | 31.6 | Very low | 69 Ų | 69 | 125.6 Ų | 125.6 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | 124 | 156.3 | 132.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 455 | K | 33 | Very low | 31.7 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | | | trans | 82.3 | 135.4 | 152.1 | -43.4 | 177 | -161.7 | 177.6 | 0 | 119.2 | | |
| 456 | T | 30.6 | Very low | 31.6 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | | | trans | 71.3 | 111.1 | 146.5 | 45.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 457 | A | 31.1 | Very low | 31.8 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | | 93.8 | 117.7 | 112 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 458 | V | 31.3 | Very low | 31.7 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | | | | 63.9 | 107.4 | 127.1 | -175.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 459 | G | 32.3 | Very low | 31.8 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | | 87.5 | 153.7 | 117.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 460 | G | 29 | Very low | 31.9 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 154.3 | 120 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 461 | V | 32.9 | Very low | 31.8 | Very low | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -131.1 | 135.7 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 462 | Q | 32.7 | Very low | 32.4 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 179 | 138.2 | 138.4 | -96.1 | 157.8 | 79.5 | 0 | 0 | 112.5 | | |
| 463 | K | 31.9 | Very low | 32.3 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | | 79.1 | 121.6 | 53.8 | -132.5 | -166.2 | -176.6 | 170 | 0 | 111.9 | | |
| 464 | R | 40.7 | Very low | 32.8 | Very low | 179 Ų | 179 | 137 Ų | 137 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | | 179.6 | 169.6 | 53.7 | -69.8 | 166.8 | -90.5 | -171 | -9.4 | 111.7 | | |
| 465 | K | 36.2 | Very low | 32.7 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | trans | 124.5 | 112.6 | 134.2 | -69.4 | 145.1 | -175.7 | 178.4 | 0 | 118.9 | | |
| 466 | S | 29.1 | Very low | 32.6 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | | 50.9 | 151.8 | 116.8 | -52.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 467 | L | 32.5 | Very low | 32.4 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | cis | -174.5 | 162.7 | -10.9 | -106.1 | 172.8 | 0 | 0 | 0 | 110.9 | | |
| 468 | S | 28.4 | Very low | 32.3 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | 71.3 | 152.8 | 150.7 | 153 | 0 | 0 | 0 | 0 | 119.6 | | |
| 469 | S | 30.3 | Very low | 32.1 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -176.4 | 171.2 | -16 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 470 | M | 33.7 | Very low | 32 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | 70.2 | 154 | 158.2 | -82.5 | 156.2 | 58.2 | 0 | 0 | 119.4 | | |
| 471 | H | 27.2 | Very low | 31.9 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | cis | -155.8 | 177.9 | -9 | 180 | -96.3 | 0 | 0 | 0 | 110.8 | | |
| 472 | R | 42.2 | Very low | 31.8 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | trans | -60.3 | 178 | 174.7 | -40.9 | 173.2 | -179.3 | 180 | 2.7 | 114.2 | | |
| 473 | E | 29.5 | Very low | 31.7 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 56% | 0.561 | 75% | 0.753 | S | S | * | * | | | cis | -159.4 | -166.9 | 26.8 | -152.6 | 142.5 | 177.2 | 0 | 0 | 115.9 | | |
| 474 | K | 42.7 | Very low | 31.6 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | | | trans | -97.7 | 159 | -169.2 | -43 | 89.9 | 54 | -174.1 | 0 | 114.9 | | |
| 475 | S | 29.4 | Very low | 31.1 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -164.5 | 154.1 | 137.5 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 476 | N | 30.6 | Very low | 30.8 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | trans | -110.7 | 168.8 | 170.9 | -63.6 | -22.7 | 0 | 0 | 0 | 109.5 | | |
| 477 | M | 27.3 | Very low | 30.8 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | | | trans | -164.4 | 148.3 | 138.4 | -98.6 | -91.9 | 78.4 | 0 | 0 | 110.7 | | |
| 478 | S | 27.7 | Very low | 30.7 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | | | trans | -164 | 150.1 | 177.2 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 479 | T | 28.9 | Very low | 31.1 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | | | trans | -146.9 | 120.8 | -178.5 | 42.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 480 | T | 28.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | | | trans | 50 | 109.3 | 144.3 | 57.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 481 | S | 28.4 | Very low | 31.4 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | | | | 77.7 | 141.2 | 87.8 | -65.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 482 | K | 30.3 | Very low | 31.5 | Very low | 191 Ų | 191 | 122.8 Ų | 122.8 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | | | cis | -164 | 172 | 25.9 | -133.1 | 172.9 | -176.1 | 178.6 | 0 | 113 | | |
| 483 | T | 30.1 | Very low | 31.4 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | | | trans | 65.3 | 97.6 | 154.2 | 50.4 | 0 | 0 | 0 | 0 | 125.4 | | |
| 484 | T | 29.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | | | | 39.7 | 119.6 | 120.4 | 53.8 | 0 | 0 | 0 | 0 | 127.1 | | |
| 485 | S | 30 | Very low | 31.3 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | | | | 71.5 | 132.6 | 125 | -49.7 | 0 | 0 | 0 | 0 | 125.6 | | |
| 486 | G | 29.9 | Very low | 31.8 | Very low | 47 Ų | 47 | 124.7 Ų | 124.7 | 49% | 0.485 | 68% | 0.679 | S | S | . | * | | | trans | 155.3 | 93.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | H41 | H41-G486 PolarHBondContact O-N 2.84Š|
| 487 | N | 30.3 | Very low | 32.3 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | | | trans | 21.9 | 141.1 | 145.1 | -66.2 | 3.5 | 0 | 0 | 0 | 127.8 | P39 P42 | P39-N487 WeakPolarHBondContact CG-O 3.45Å; P42-N487 WeakPolarHBondContact CD-OD1 3.44Å |
| 488 | G | 28.7 | Very low | 33.2 | Very low | 44 Ų | 44 | 123 Ų | 123 | 45% | 0.454 | 68% | 0.677 | S | S | . | * | | | trans | 83.3 | 106.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | P36 P39 | P36-G488 CarbonylContact O-C 3.52Å; P39-G488 WeakPolarHBondContact CD-O 3.36Å |
| 489 | S | 37.8 | Very low | 34 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | | | | 83.2 | 58.1 | 54.1 | -156.3 | 0 | 0 | 0 | 0 | 115.6 | P36 | P36-S489 WeakPolarHBondContact CB-O 3.45Å; P36-S489 WeakPolarHBondContact CG-O 3.18Å; P36-S489 CarbonylContact O-C 3.49Å; P36-S489 WeakPolarHBondContact O-CA 3.22Å; P36-S489 PolarHBondContact O-N 3.35Å |
| 490 | A | 32.3 | Very low | 34 | Very low | 34 Ų | 34 | 125.8 Ų | 125.8 | 28% | 0.281 | 69% | 0.685 | S | S | . | * | | | trans | -119 | 162.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 96.9 | C35 P36 Q37 | C35-A490 WeakPolarHBondContact O-CB 3.36Å; P36-A490 VanDerWaalsContact C-C 3.43Å; P36-A490 CarbonylContact C-O 3.47Å; P36-A490 HydrophobicContact CB-CB 2.28Å; P36-A490 HydrophobicContact CG-CB 2.29Å; P36-A490 WeakPolarHBondContact O-CA 3.25Å; P36-A490 PolarHBondContact O-N 3.3Å; Q37-A490 VanDerWaalsContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CB-O 3.23Å; Q37-A490 WeakPolarHBondContact CG-O 3.44Å; Q37-A490 PolarHBondContact N-O 3.28Å |
| 491 | R | 37.8 | Very low | 34.5 | Very low | 192 Ų | 192 | 131 Ų | 131 | 73% | 0.725 | 69% | 0.691 | S | S | * | * | | | trans | -126.1 | -175 | -160 | -71.9 | 173.5 | 150.8 | 154.2 | -6.4 | 115 | C35 | C35-R491 WeakPolarHBondContact CA-O 3.32Å; C35-R491 WeakPolarHBondContact CB-O 3.35Å; C35-R491 PolarHBondContact SG-O 3.32Å |
| 492 | E | 29.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 59% | 0.589 | 69% | 0.687 | S | S | * | * | | | trans | 103.9 | 94.7 | 130.6 | -165.5 | 147.1 | -147.2 | 0 | 0 | 122.1 | | |
| 493 | R | 40.8 | Very low | 34.9 | Very low | 187 Ų | 187 | 128 Ų | 128 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | | | | 53.9 | 160.2 | 126.8 | -56.9 | -179.8 | 66.9 | 108.6 | 12.5 | 124 | E495 | R493-E495 IonicContact NH2-OE1 2.56Š|
| 494 | L | 38.9 | Very low | 35 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | | | trans | 73.4 | 144.3 | 159.7 | -65.3 | 127.7 | 0 | 0 | 0 | 117.6 | | |
| 495 | E | 31.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 51% | 0.509 | 69% | 0.689 | S | S | . | * | | | cis | 174.3 | 159.1 | -38.3 | -104.7 | 171 | -118.9 | 0 | 0 | 107.5 | R493 | R493-E495 IonicContact NH2-OE1 2.56Š|
| 496 | R | 38.4 | Very low | 35.3 | Very low | 210 Ų | 210 | 132 Ų | 132 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | | | trans | 77.1 | 84.3 | 159.6 | -30.3 | -159.3 | -179.1 | 149.4 | 6.2 | 121.8 | | |
| 497 | K | 42.4 | Very low | 35.2 | Very low | 200 Ų | 200 | 133 Ų | 133 | 87% | 0.87 | 71% | 0.711 | S | S | * | * | | | | 56 | 94.4 | 108.9 | -163.6 | 96.8 | 83.4 | 175.2 | 0 | 121.6 | | |
| 498 | A | 45.3 | Very low | 35.3 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | | | | 61.4 | 146.3 | 128.4 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 499 | K | 44.6 | Very low | 35.3 | Very low | 218 Ų | 218 | 140 Ų | 140 | 95% | 0.948 | 72% | 0.724 | S | S | * | * | | | | 148.7 | 150 | 106.4 | -167.7 | 163.6 | -176.5 | 178.7 | 0 | 116.4 | | |
| 500 | G | 29.1 | Very low | 35 | Very low | 70 Ų | 70 | 145.3 Ų | 145.3 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | trans | 148.5 | 150.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 501 | R | 39.4 | Very low | 34.7 | Very low | 232 Ų | 232 | 148.6 Ų | 148.6 | 88% | 0.875 | 75% | 0.749 | S | S | * | * | | | cis | -159 | 165.2 | -10.8 | -176.6 | 174.4 | 177 | -126.5 | -0.1 | 109.6 | | |
| 502 | T | 33.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | trans | -70.7 | 172.6 | 172.4 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 503 | V | 32.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | | -157.5 | 174 | 53.1 | 171.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 504 | E | 33.2 | Very low | 34.6 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -69.6 | 169.8 | -168.4 | -42.3 | -178.9 | 133.9 | 0 | 0 | 120.5 | | |
| 505 | A | 31.5 | Very low | 34 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | -171 | 120.4 | 122.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 506 | T | 33.4 | Very low | 33.9 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | 31.2 | 115.6 | 142.3 | -47.3 | 0 | 0 | 0 | 0 | 125.2 | | |
| 507 | G | 29.3 | Very low | 33.4 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | | 110.5 | 126 | 113.2 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 508 | R | 32.3 | Very low | 32.8 | Very low | 233 Ų | 233 | 131.2 Ų | 131.2 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | 65.2 | 154.3 | 158.3 | -69.5 | -175.8 | 138.6 | -161.6 | -0.7 | 117.9 | | |
| 509 | T | 28.6 | Very low | 32.1 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 54% | 0.54 | 79% | 0.785 | S | S | . | * | | | cis | -162.7 | 149.6 | -8.1 | 16 | 0 | 0 | 0 | 0 | 111.1 | | |
| 510 | R | 30.3 | Very low | 31.2 | Very low | 216 Ų | 216 | 131.5 Ų | 131.5 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | trans | 46.3 | 150.4 | 141.3 | -66.7 | -177.6 | -63.3 | -174.3 | 3 | 121.5 | | |
| 511 | S | 27.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | cis | -179.4 | 149.3 | -14.8 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 512 | A | 27.7 | Very low | 31 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | | | trans | 66.7 | 120.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 513 | Q | 29.5 | Very low | 31.3 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | | 36.9 | 160.8 | 113.1 | -66.6 | -68.1 | -20.2 | 0 | 0 | 121.6 | | |
| 514 | P | 47.3 | Very low | 31 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | cis | -130.7 | -171.6 | -14.4 | 38.6 | -20.5 | 0 | 0 | 0 | 113.6 | | |
| 515 | G | 26.2 | Very low | 31 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | 175.1 | 145.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 516 | A | 29.2 | Very low | 31 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | | | trans | -127.4 | 150.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 517 | S | 28.3 | Very low | 31.2 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | 67.4 | 124.3 | 139.4 | -151.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 518 | S | 30.2 | Very low | 31.7 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | 88.6 | 132.8 | 136.3 | 80.2 | 0 | 0 | 0 | 0 | 123 | | |
| 519 | R | 30.8 | Very low | 31.7 | Very low | 232 Ų | 232 | 128.6 Ų | 128.6 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | | | | 131.5 | 94.8 | 108.5 | -160.9 | 163.3 | -168.8 | 152.1 | 4.9 | 119.5 | | |
| 520 | A | 25.5 | Very low | 32.1 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | | | | 74.9 | 158.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 521 | R | 30.5 | Very low | 32.4 | Very low | 242 Ų | 242 | 126.2 Ų | 126.2 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | | | trans | 90.6 | 116.6 | 160.9 | -62.3 | 179.3 | 178.8 | -90.1 | 3.2 | 119.6 | | |
| 522 | Q | 34.9 | Very low | 32.7 | Very low | 130 Ų | 130 | 128 Ų | 128 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | | | trans | -90.7 | 172 | 155 | -63.2 | -95 | -132.3 | 0 | 0 | 108 | E436 | E436-Q522 VanDerWaalsContact CD-NE2 3.3Å; E436-Q522 PolarHBondContact OE1-NE2 3.46Å; E436-Q522 PolarHBondContact OE2-NE2 2.56Å |
| 523 | P | 38.7 | Very low | 32.7 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | | | cis | -148.9 | 168.8 | 37.8 | 43.6 | -23.2 | 0 | 0 | 0 | 120 | E436 | E436-P523 VanDerWaalsContact OE2-C 3.3Å; E436-P523 WeakPolarHBondContact OE2-CA 3.42Å |
| 524 | S | 26.8 | Very low | 32.6 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 52% | 0.517 | 72% | 0.724 | S | S | . | * | | | | 152.3 | 151.5 | 104.5 | 56.4 | 0 | 0 | 0 | 0 | 117.7 | E436 | E436-S524 PolarHBondContact OE2-N 2.92Š|
| 525 | L | 32.5 | Very low | 31.9 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | | | trans | 96.2 | 65.6 | 150.5 | -81.5 | 159.2 | 0 | 0 | 0 | 122.8 | P435 | P435-L525 CarbonylContact O-C 3.07Š|
| 526 | D | 32 | Very low | 32.3 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 55% | 0.551 | 72% | 0.715 | S | S | * | * | | | trans | 4.9 | 135.5 | 132.3 | -167.4 | 27.4 | 0 | 0 | 0 | 121.2 | P435 | P435-D526 PolarHBondContact O-N 2.87Š|
| 527 | L | 38.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 62% | 0.623 | 71% | 0.712 | S | S | * | * | | | | 165.3 | 116.5 | 118.2 | -87.4 | 173.1 | 0 | 0 | 0 | 115.8 | | |
| 528 | T | 38.3 | Very low | 33.4 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 71% | 0.713 | S | S | * | * | | | trans | 60.5 | 163.7 | 149 | 58.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 529 | D | 32.9 | Very low | 33.4 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | | | cis | -138.4 | 179 | 6.6 | -161.2 | 12.5 | 0 | 0 | 0 | 111.5 | | |
| 530 | D | 36.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | | | trans | -107 | 163.9 | -152.9 | -151.2 | -3.8 | 0 | 0 | 0 | 117.8 | | |
| 531 | D | 37.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | | | trans | 84.7 | 148.7 | 138.5 | -139.8 | 7.5 | 0 | 0 | 0 | 124.4 | | |
| 532 | Q | 32.5 | Very low | 34 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | | | trans | 52.3 | 108.2 | 165.3 | -49 | -56.1 | -26.3 | 0 | 0 | 120.8 | | |
| 533 | T | 29.2 | Very low | 33.7 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | | 172.1 | 133.6 | 95.3 | 35.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 534 | S | 27.6 | Very low | 33.5 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | | | trans | 42.7 | 98.3 | 141.3 | 70.8 | 0 | 0 | 0 | 0 | 123.8 | | |
| 535 | S | 32.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 129 Ų | 129 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | | | | 64 | 170.7 | 114.5 | 66 | 0 | 0 | 0 | 0 | 124.2 | | |
| 536 | F | 34.6 | Very low | 33.7 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | | | trans | 83.6 | 165 | 168.8 | -47.9 | -61.5 | 0 | 0 | 0 | 117.9 | | |
| 537 | P | 51.3 | Low | 33.6 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | | | cis | -102.9 | -145.4 | -13.8 | 18.6 | 5.3 | 0 | 0 | 0 | 110.2 | | |
| 538 | I | 27.9 | Very low | 33.4 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | cis | -147 | 128.6 | 5.8 | -55.6 | 167 | 0 | 0 | 0 | 105.2 | | |
| 539 | S | 31.3 | Very low | 32.9 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | | 75.4 | 109.7 | 66.4 | -115.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 540 | D | 30.5 | Very low | 32.6 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | | | trans | 62.2 | 153.8 | 145.5 | -45 | -55.7 | 0 | 0 | 0 | 119.1 | | |
| 541 | I | 34.9 | Very low | 32 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | | -161.2 | 142.8 | 53.4 | -80.6 | 176.3 | 0 | 0 | 0 | 111.9 | | |
| 542 | L | 33.9 | Very low | 31.9 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | | | trans | 18.2 | 133.4 | 152.5 | -52.8 | 171.1 | 0 | 0 | 0 | 122.2 | | |
| 543 | S | 27.3 | Very low | 31.7 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 94% | 0.944 | 75% | 0.748 | S | S | * | * | | | | -170.2 | 161.1 | 128.5 | -86.6 | 0 | 0 | 0 | 0 | 114 | | |
| 544 | S | 35.4 | Very low | 31.8 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | -153.3 | 128.3 | 177.2 | 164.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 545 | D | 30.9 | Very low | 31.8 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | | | trans | -170.4 | 170.3 | 132 | -136.7 | -3.8 | 0 | 0 | 0 | 115.7 | | |
| 546 | Q | 31.8 | Very low | 31.4 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | -4.9 | 156.9 | 149.7 | -70.8 | 174.2 | 95.1 | 0 | 0 | 120.5 | | |
| 547 | E | 31.3 | Very low | 31.1 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | cis | -160.2 | 166.2 | 0.4 | -115.3 | -92.7 | 79 | 0 | 0 | 113.6 | | |
| 548 | T | 33.6 | Very low | 30 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | | | trans | -42.1 | 135.5 | 175 | -56.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 549 | Y | 27 | Very low | 29.8 | Very low | 209 Ų | 209 | 131 Ų | 131 | 82% | 0.82 | 74% | 0.74 | S | S | * | * | | | | 179.6 | 131.1 | 117.6 | -116.8 | -88.3 | 0 | 0 | 0 | 116.9 | | |
| 550 | S | 26.5 | Very low | 29.7 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | 54.8 | 136.2 | 160.1 | 48.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 551 | G | 24 | Very low | 29.5 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | cis | 89.8 | 145.9 | 9.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 552 | P | 35.7 | Very low | 28.9 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | cis | -137.8 | -169.6 | 3.6 | 41.3 | -21.5 | 0 | 0 | 0 | 115.6 | | |
| 553 | L | 29.1 | Very low | 28.5 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 74% | 0.742 | S | S | * | * | | | trans | 78.9 | 137.4 | 170.6 | -52.8 | 152.9 | 0 | 0 | 0 | 116.2 | | |
| 554 | G | 30.7 | Very low | 28.5 | Very low | 64 Ų | 64 | 132.8 Ų | 132.8 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | | | cis | 159.1 | 156.5 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 555 | N | 26.5 | Very low | 28.2 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | | | trans | 72 | 116.3 | 167.2 | -59 | -1.2 | 0 | 0 | 0 | 117.2 | | |
| 556 | S | 26.3 | Very low | 28.2 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | | | | 66.1 | 116.3 | 88.6 | -168.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 557 | V | 28.3 | Very low | 28 | Very low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.655 | 74% | 0.74 | S | S | * | * | | | | -168.7 | 139.4 | 85.8 | 157.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 558 | H | 26.5 | Very low | 27.8 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | | | cis | 77.9 | 74.6 | 40.6 | -145.8 | 99.9 | 0 | 0 | 0 | 117.4 | | |
| 559 | R | 25.3 | Very low | 27.5 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | 62.9 | 103.2 | 149.5 | -171.1 | -146.6 | -66.7 | -101.6 | 2.6 | 119.7 | | |
| 560 | R | 28.2 | Very low | 27.6 | Very low | 226 Ų | 226 | 137.7 Ų | 137.7 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | | -170.5 | 154.8 | 128.4 | -119.4 | 171.4 | -87.8 | -117.9 | -5.7 | 109.6 | | |
| 561 | G | 25.7 | Very low | 27.6 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | cis | 106.8 | 125.4 | -0 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 562 | S | 23.4 | Very low | 27.8 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -155.7 | 123.1 | -172.9 | 169.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 563 | E | 25.3 | Very low | 27.6 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | cis | -128.9 | 141.1 | -9 | -62.6 | -60.4 | 136.4 | 0 | 0 | 110.2 | | |
| 564 | D | 26.8 | Very low | 27.6 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | trans | -161.3 | 156.9 | 163.9 | 174 | 43.9 | 0 | 0 | 0 | 110.1 | | |
| 565 | F | 29.4 | Very low | 27.5 | Very low | 175 Ų | 175 | 145 Ų | 145 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | | | trans | -147.2 | -43.3 | -153.7 | -151.6 | -128.1 | 0 | 0 | 0 | 119.6 | H567 | F565-H567 PolarHBondContact O-N 3.22Š|
| 566 | L | 30.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 146 Ų | 146 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | trans | -100.3 | 99.6 | -152.2 | -62 | 179.3 | 0 | 0 | 0 | 118.5 | | |
| 567 | H | 28 | Very low | 27.9 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | | | trans | 64.2 | 178.2 | 131.1 | -68.8 | -70.6 | 0 | 0 | 0 | 123.4 | F565 | F565-H567 PolarHBondContact O-N 3.22Š|
| 568 | S | 26.6 | Very low | 27.9 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -112.3 | 162.9 | -144.1 | 52.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 569 | K | 27.5 | Very low | 28 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -48 | 145.7 | 171 | -57.2 | -178.2 | 176.3 | -169.6 | 0 | 115 | | |
| 570 | L | 29.8 | Very low | 28.1 | Very low | 177 Ų | 177 | 142 Ų | 142 | 93% | 0.927 | 76% | 0.759 | S | S | * | * | | | | -144.7 | 173.9 | 127.6 | -83.5 | -169.6 | 0 | 0 | 0 | 109.5 | | |
| 571 | D | 26 | Very low | 28.2 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | | | trans | -104.7 | 161 | -155.5 | -89.9 | -75.3 | 0 | 0 | 0 | 117.3 | | |
| 572 | S | 28.4 | Very low | 28.2 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | trans | 83.2 | 110.9 | 145.3 | -76 | 0 | 0 | 0 | 0 | 124 | | |
| 573 | R | 30.8 | Very low | 28.6 | Very low | 228 Ų | 228 | 133.6 Ų | 133.6 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | | | | 82 | 130.6 | 121.9 | -63.3 | 173.8 | 73.6 | -175.7 | 3.7 | 122.6 | | |
| 574 | S | 29.4 | Very low | 28.7 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | 87.2 | 102.1 | 139.1 | -110.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 575 | S | 29.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | | 47.7 | 91.1 | 120.1 | 64 | 0 | 0 | 0 | 0 | 122.3 | | |
| 576 | K | 32.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | | | | 60.7 | 101.1 | 111.9 | -172.9 | 161.3 | -177.7 | 170.3 | 0 | 121.9 | | |
| 577 | T | 28.8 | Very low | 29 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | | | trans | 64.1 | 157 | 141.7 | 62.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 578 | S | 27.3 | Very low | 29.1 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | cis | -159.5 | 152.1 | 23.3 | 58.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 579 | M | 29 | Very low | 29.4 | Very low | 148 Ų | 148 | 129 Ų | 129 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | | | trans | 67.7 | 121.4 | 144.3 | -71.9 | -67.2 | -146.9 | 0 | 0 | 124.3 | P207 | P207-M579 HydrophobicContact CG-CE 4.39Å; P207-M579 HydrophobicContact CG-SD 3.62Å |
| 580 | S | 27.7 | Very low | 29.5 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | | | trans | 73.7 | 147.7 | 133 | -159.6 | 0 | 0 | 0 | 0 | 122.7 | S210 | S210-S580 CarbonylContact O-C 3.55Š|
| 581 | G | 29 | Very low | 29.6 | Very low | 35 Ų | 35 | 118.3 Ų | 118.3 | 36% | 0.361 | 67% | 0.666 | S | S | . | * | | | trans | 137.8 | 46.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | S210 | S210-G581 CarbonylContact C-O 3.45Å; S210-G581 WeakPolarHBondContact CA-O 3.45Å; S210-G581 PolarHBondContact N-O 3.22Å; S210-G581 VanDerWaalsContact N-O 3.11Å; S210-G581 CarbonylContact O-C 3.37Å; S210-G581 WeakPolarHBondContact O-CA 3.11Å; S210-G581 PolarHBondContact O-N 3.49Å; S210-G581 PolarHBondContact OG-O 2.9Å |
| 582 | A | 27.6 | Very low | 29.7 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | | | trans | -40.2 | 141.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 583 | S | 30.5 | Very low | 29.9 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | | | trans | -163.5 | 157.8 | 161.4 | -89.5 | 0 | 0 | 0 | 0 | 112.7 | S210 | S210-S583 PolarHBondContact OG-N 2.9Š|
| 584 | K | 28.4 | Very low | 29.9 | Very low | 194 Ų | 194 | 110.7 Ų | 110.7 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | | | trans | -118.4 | -172.1 | -170.1 | -67.1 | 174 | 178.6 | 169.5 | 0 | 111.4 | | |
| 585 | T | 30.2 | Very low | 30.1 | Very low | 138 Ų | 138 | 111.8 Ų | 111.8 | 85% | 0.847 | 67% | 0.673 | S | S | * | * | | | trans | 86.2 | 139.2 | 169.1 | 79.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 586 | S | 27.2 | Very low | 30.2 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | | | cis | -161.7 | 167.3 | -13.4 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 587 | R | 34 | Very low | 30.4 | Very low | 209 Ų | 209 | 112.5 Ų | 112.5 | 79% | 0.789 | 69% | 0.686 | S | S | * | * | | | trans | 74.5 | 103.6 | 149.8 | -78.4 | 170 | -73.4 | 171 | -4.4 | 120.2 | | |
| 588 | N | 30.9 | Very low | 30.5 | Very low | 128 Ų | 128 | 113.7 Ų | 113.7 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | | | | 105.2 | 115.3 | 113.1 | -79 | 4.2 | 0 | 0 | 0 | 121.7 | | |
| 589 | L | 32.3 | Very low | 31 | Very low | 64 Ų | 64 | 117.5 Ų | 117.5 | 34% | 0.335 | 69% | 0.691 | S | S | . | * | | | trans | 67.2 | 100.6 | 132.6 | -54.4 | 169.2 | 0 | 0 | 0 | 116.7 | K723 L724 | L589-K723 HydrophobicContact CB-CG 4.29Å; L589-K723 HydrophobicContact CD1-CD 3.94Å; L589-K723 HydrophobicContact CD1-CG 3.89Å; L589-K723 HydrophobicContact CG-CG 4.46Å; L589-L724 HydrophobicContact CD2-CD1 3.88Å |
| 590 | Q | 30.2 | Very low | 31.2 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 37% | 0.374 | 70% | 0.696 | S | S | . | * | | | | 59.6 | 114.1 | 86.9 | -66.3 | 174.3 | -36 | 0 | 0 | 111.2 | S722 K723 L724 N725 | Q590-S722 CarbonylContact O-C 3.42Å; Q590-S722 WeakPolarHBondContact O-CA 3.5Å; Q590-S722 PolarHBondContact O-OG 3.38Å; Q590-S722 VanDerWaalsContact O-OG 3.07Å; Q590-K723 PolarHBondContact O-N 2.95Å; Q590-L724 VanDerWaalsContact OE1-CA 3.24Å; Q590-N725 PolarHBondContact NE2-O 3.43Å; Q590-N725 VanDerWaalsContact OE1-N 3.14Å |
| 591 | A | 30.9 | Very low | 31.4 | Very low | 62 Ų | 62 | 118.8 Ų | 118.8 | 51% | 0.512 | 70% | 0.701 | S | S | . | * | | | | 65.9 | 152.6 | 79.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S722 K723 | A591-S722 CarbonylContact O-C 3.46Å; A591-S722 WeakPolarHBondContact O-CA 3.06Å; A591-K723 CarbonylContact O-C 3.02Å; A591-K723 PolarHBondContact O-N 3.15Å |
| 592 | A | 29.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 122.8 Ų | 122.8 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | | | cis | -167 | 134.1 | -30.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 593 | T | 31.8 | Very low | 32.4 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | | | trans | -144.9 | 148.1 | 165.9 | 37.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 594 | A | 31.1 | Very low | 33 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | trans | 48.8 | 104.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 595 | S | 33.2 | Very low | 34.1 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | | | trans | -16.9 | 120.3 | 153.3 | 53.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 596 | S | 33 | Very low | 35.3 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | | | trans | -158.8 | 134 | 130.5 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 597 | L | 35.5 | Very low | 37.2 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 141.1 | -178.7 | -173.9 | 59.8 | 0 | 0 | 0 | 111.2 | | |
| 598 | N | 30.3 | Very low | 39 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 139 | -168.1 | -165.4 | 8.9 | 0 | 0 | 0 | 113.2 | | |
| 599 | K | 38.3 | Very low | 41.2 | Very low | 181 Ų | 181 | 124 Ų | 124 | 79% | 0.787 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 121.4 | 171 | -75.3 | -175.6 | 177.5 | -178.9 | 0 | 110.5 | | |
| 600 | Q | 34.6 | Very low | 43.6 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -155.5 | 147.8 | 142.4 | -93 | -38.6 | -69.3 | 0 | 0 | 113.7 | | |
| 601 | A | 30.7 | Very low | 45.7 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | | | trans | 48.3 | 74.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 602 | S | 33.4 | Very low | 48 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 141.4 | 140.9 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 603 | L | 45.1 | Very low | 50.6 | Low | 159 Ų | 159 | 129.2 Ų | 129.2 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 155.9 | 176.9 | -74 | 165.7 | 0 | 0 | 0 | 111 | Q605 | L603-Q605 PolarHBondContact O-N 3.38Å; L603-Q605 VanDerWaalsContact O-N 3.11Å |
| 604 | P | 41.6 | Very low | 53 | Low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 117.1 | -178.5 | 23.9 | -34.2 | 0 | 0 | 0 | 111.8 | | |
| 605 | Q | 52 | Low | 55.3 | Low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 132.5 | 170.9 | -79.3 | -79.6 | 0.3 | 0 | 0 | 110.3 | L603 R607 | L603-Q605 PolarHBondContact O-N 3.38Å; L603-Q605 VanDerWaalsContact O-N 3.11Å; Q605-R607 PolarHBondContact O-N 2.95Å |
| 606 | P | 55.3 | Low | 57.5 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 123.9 | 177.5 | 26.7 | -33.5 | 0 | 0 | 0 | 109.9 | | |
| 607 | R | 66.9 | Low | 59.3 | Low | 233 Ų | 233 | 126.2 Ų | 126.2 | 88% | 0.879 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 128.9 | 179.9 | -69.4 | 178.7 | 177.2 | 146 | -2.4 | 110.2 | Q605 T609 | Q605-R607 PolarHBondContact O-N 2.95Å; R607-T609 PolarHBondContact O-N 3.49Å; R607-T609 VanDerWaalsContact O-N 3.1Å |
| 608 | P | 72.6 | Confident | 61.2 | Low | 72 Ų | 72 | 127.4 Ų | 127.4 | 47% | 0.468 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 118.6 | -176 | 23.8 | -33.3 | 0 | 0 | 0 | 110 | | |
| 609 | T | 77.6 | Confident | 63.2 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 57% | 0.571 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 154.3 | -179.2 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | R607 A611 S612 L613 | R607-T609 PolarHBondContact O-N 3.49Å; R607-T609 VanDerWaalsContact O-N 3.1Å; T609-A611 PolarHBondContact O-N 2.75Å; T609-S612 WeakPolarHBondContact O-CA 3.12Å; T609-S612 WeakPolarHBondContact O-CB 3.44Å; T609-S612 PolarHBondContact O-N 2.82Å; T609-L613 PolarHBondContact O-N 3.1Å |
| 610 | R | 81.8 | Confident | 64.4 | Low | 208 Ų | 208 | 120.3 Ų | 120.3 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -51.7 | -30 | 175.3 | -174.8 | 174.9 | 175.9 | 178.6 | -0.9 | 112.6 | L614 | R610-L614 HydrophobicContact CG-CD1 3.94Å; R610-L614 HydrophobicContact CG-CG 4.35Å; R610-L614 VanDerWaalsContact O-CB 3.28Å; R610-L614 WeakPolarHBondContact O-CB 3.45Å; R610-L614 WeakPolarHBondContact O-CG 3.39Å; R610-L614 PolarHBondContact O-N 2.98Å |
| 611 | A | 74.6 | Confident | 64.9 | Low | 59 Ų | 59 | 117.2 Ų | 117.2 | 49% | 0.488 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.7 | -38.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T609 R615 | T609-A611 PolarHBondContact O-N 2.75Å; A611-R615 WeakPolarHBondContact O-CB 3.45Å; A611-R615 WeakPolarHBondContact O-CG 3.29Å; A611-R615 PolarHBondContact O-N 3.16Å |
| 612 | S | 79.5 | Confident | 66.2 | Low | 43 Ų | 43 | 119.8 Ų | 119.8 | 30% | 0.301 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.1 | -46.4 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 111 | T609 L614 R615 R616 | T609-S612 WeakPolarHBondContact O-CA 3.12Å; T609-S612 WeakPolarHBondContact O-CB 3.44Å; T609-S612 PolarHBondContact O-N 2.82Å; S612-L614 PolarHBondContact O-N 3.25Å; S612-R615 PolarHBondContact O-N 2.79Å; S612-R615 VanDerWaalsContact O-N 3.11Å; S612-R616 PolarHBondContact O-N 2.96Å; S612-R616 PolarHBondContact OG-NH1 3.44Å; S612-R616 VanDerWaalsContact OG-NH1 3.17Å |
| 613 | L | 82.9 | Confident | 66.6 | Low | 91 Ų | 91 | 118.5 Ų | 118.5 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -59.1 | -45 | 177.7 | -121.8 | 158.2 | 0 | 0 | 0 | 112 | T609 R616 A617 | T609-L613 PolarHBondContact O-N 3.1Å; L613-R616 PolarHBondContact O-N 3.41Å; L613-A617 WeakPolarHBondContact O-CB 3.41Å; L613-A617 PolarHBondContact O-N 3Å |
| 614 | L | 83.3 | Confident | 66.2 | Low | 72 Ų | 72 | 118.5 Ų | 118.5 | 38% | 0.377 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.6 | -21.5 | 175.3 | -71.4 | 171.6 | 0 | 0 | 0 | 114.2 | R610 S612 R618 | R610-L614 HydrophobicContact CG-CD1 3.94Å; R610-L614 HydrophobicContact CG-CG 4.35Å; R610-L614 VanDerWaalsContact O-CB 3.28Å; R610-L614 WeakPolarHBondContact O-CB 3.45Å; R610-L614 WeakPolarHBondContact O-CG 3.39Å; R610-L614 PolarHBondContact O-N 2.98Å; S612-L614 PolarHBondContact O-N 3.25Å; L614-R618 WeakPolarHBondContact O-CB 3.42Å; L614-R618 VanDerWaalsContact O-CD 3.31Å; L614-R618 WeakPolarHBondContact O-CD 3.08Å; L614-R618 WeakPolarHBondContact O-CG 3.47Å; L614-R618 PolarHBondContact O-N 2.98Å |
| 615 | R | 79.2 | Confident | 66.5 | Low | 136 Ų | 136 | 119.1 Ų | 119.1 | 51% | 0.513 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.3 | -48.5 | 169.7 | -81.1 | 176.9 | -178.4 | 170.7 | -2.8 | 110.7 | A611 S612 A617 R618 L619 | A611-R615 WeakPolarHBondContact O-CB 3.45Å; A611-R615 WeakPolarHBondContact O-CG 3.29Å; A611-R615 PolarHBondContact O-N 3.16Å; S612-R615 PolarHBondContact O-N 2.79Å; S612-R615 VanDerWaalsContact O-N 3.11Å; R615-A617 VanDerWaalsContact C-N 3.33Å; R615-A617 PolarHBondContact O-N 3.1Å; R615-R618 PolarHBondContact O-N 3.06Å; R615-L619 PolarHBondContact O-N 3.42Å |
| 616 | R | 79.4 | Confident | 65.8 | Low | 116 Ų | 116 | 117.7 Ų | 117.7 | 44% | 0.438 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -57.4 | -46 | 176.1 | -63.2 | -162.8 | -54.8 | -98.2 | 13.8 | 111.5 | S612 L613 R618 L619 G620 | S612-R616 PolarHBondContact O-N 2.96Å; S612-R616 PolarHBondContact OG-NH1 3.44Å; S612-R616 VanDerWaalsContact OG-NH1 3.17Å; L613-R616 PolarHBondContact O-N 3.41Å; R616-R618 PolarHBondContact O-N 2.95Å; R616-R618 VanDerWaalsContact O-N 3.15Å; R616-L619 PolarHBondContact O-N 3.09Å; R616-G620 PolarHBondContact O-N 3.31Å |
| 617 | A | 70.3 | Confident | 64.9 | Low | 80 Ų | 80 | 120.8 Ų | 120.8 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.5 | -12.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L613 R615 | L613-A617 WeakPolarHBondContact O-CB 3.41Å; L613-A617 PolarHBondContact O-N 3Å; R615-A617 VanDerWaalsContact C-N 3.33Å; R615-A617 PolarHBondContact O-N 3.1Å |
| 618 | R | 75.3 | Confident | 63.6 | Low | 199 Ų | 199 | 114.1 Ų | 114.1 | 75% | 0.751 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -102.7 | -27.7 | 175.7 | -76.5 | 172.7 | -179.8 | 151.3 | -5.3 | 113.7 | L614 R615 R616 | L614-R618 WeakPolarHBondContact O-CB 3.42Å; L614-R618 VanDerWaalsContact O-CD 3.31Å; L614-R618 WeakPolarHBondContact O-CD 3.08Å; L614-R618 WeakPolarHBondContact O-CG 3.47Å; L614-R618 PolarHBondContact O-N 2.98Å; R615-R618 PolarHBondContact O-N 3.06Å; R616-R618 PolarHBondContact O-N 2.95Å; R616-R618 VanDerWaalsContact O-N 3.15Å |
| 619 | L | 72.4 | Confident | 61.8 | Low | 127 Ų | 127 | 118.1 Ų | 118.1 | 67% | 0.665 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.4 | -15.6 | 178.2 | -70.8 | 169.4 | 0 | 0 | 0 | 112.7 | R615 R616 D621 | R615-L619 PolarHBondContact O-N 3.42Å; R616-L619 PolarHBondContact O-N 3.09Å; L619-D621 VanDerWaalsContact C-N 3.25Å; L619-D621 PolarHBondContact O-N 3.1Å |
| 620 | G | 63.8 | Low | 59.8 | Low | 54 Ų | 54 | 117.7 Ų | 117.7 | 56% | 0.557 | 66% | 0.655 | S | S | * | * | | | trans | 76.7 | 7.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R616 T622 | R616-G620 PolarHBondContact O-N 3.31Å; G620-T622 PolarHBondContact O-N 3.32Å |
| 621 | D | 45.2 | Very low | 57.8 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 60% | 0.599 | 65% | 0.649 | S | S | * | * | | | trans | -61.5 | 91 | 178.5 | -78.6 | -49.1 | 0 | 0 | 0 | 112.2 | L619 | L619-D621 VanDerWaalsContact C-N 3.25Å; L619-D621 PolarHBondContact O-N 3.1Å |
| 622 | T | 58.7 | Low | 56.2 | Low | 142 Ų | 142 | 116.9 Ų | 116.9 | 87% | 0.871 | 65% | 0.649 | S | S | * | * | | | trans | -96.4 | 84.1 | 169.3 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | G620 | G620-T622 PolarHBondContact O-N 3.32Š|
| 623 | S | 42.2 | Very low | 54.1 | Low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | | | trans | -150.2 | 66.1 | 175.6 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 624 | D | 37 | Very low | 51.9 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | | | trans | -92.4 | 134.6 | 153.8 | -164.5 | -1.9 | 0 | 0 | 0 | 108.1 | | |
| 625 | T | 47 | Very low | 49.5 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | | | trans | -133 | 76.9 | -178 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 626 | D | 37.1 | Very low | 47.2 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | | | trans | -144.1 | 150.1 | 151 | -154.4 | -3.4 | 0 | 0 | 0 | 111.2 | | |
| 627 | L | 36.6 | Very low | 45 | Very low | 173 Ų | 173 | 122.1 Ų | 122.1 | 91% | 0.906 | 73% | 0.732 | S | S | * | * | | | trans | -124.4 | 96.3 | -179.7 | -84.6 | 173.1 | 0 | 0 | 0 | 109.6 | | |
| 628 | A | 39.4 | Very low | 43.2 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | -129.6 | 83.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 629 | D | 34.6 | Very low | 41.1 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | | | trans | -46.8 | 139.1 | 167.4 | 174.6 | 24.6 | 0 | 0 | 0 | 114.2 | | |
| 630 | A | 35.2 | Very low | 39.2 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | trans | -167.4 | 98.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R632 | A630-R632 PolarHBondContact O-N 2.94Š|
| 631 | D | 41.1 | Very low | 37.7 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | | | trans | -62 | 119.9 | 162 | 161.3 | 38.8 | 0 | 0 | 0 | 111.7 | V633 | D631-V633 PolarHBondContact OD1-N 3.4Š|
| 632 | R | 40.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 48% | 0.479 | 77% | 0.769 | S | S | . | * | | | trans | -139.1 | 89.4 | 167.1 | -75.5 | -65.2 | 86.7 | 177.2 | -1.1 | 112.5 | A630 | A630-R632 PolarHBondContact O-N 2.94Š|
| 633 | V | 34.8 | Very low | 35.6 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | | | trans | 63.9 | 122.6 | 143 | -56.9 | 0 | 0 | 0 | 0 | 120.3 | D631 | D631-V633 PolarHBondContact OD1-N 3.4Š|
| 634 | S | 38.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -72.9 | 138.5 | 167.9 | -43.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 635 | V | 31.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -140 | 148.5 | 160.4 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 636 | A | 31.6 | Very low | 34.1 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | 64.4 | 75.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 637 | S | 32.6 | Very low | 34.1 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | | -60.6 | 156.9 | 125.6 | -166.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 638 | E | 32.3 | Very low | 34.8 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | | -168.3 | 148.3 | 55 | -70.9 | 171.2 | 170.7 | 0 | 0 | 110.8 | | |
| 639 | V | 32 | Very low | 35.1 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | | -160.6 | 131.1 | 122.3 | 137 | 0 | 0 | 0 | 0 | 107.3 | | |
| 640 | S | 33.4 | Very low | 35.5 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -127.3 | 137.6 | -178.5 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 641 | T | 31.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | -141.3 | 114.5 | 164 | 53.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 642 | T | 32.5 | Very low | 35.9 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | cis | -148 | 152.9 | 4.5 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 643 | S | 28.3 | Very low | 36.7 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | | 18.1 | 139.9 | 128.2 | -46.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 644 | S | 30.1 | Very low | 37.8 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | cis | -171.1 | 153 | 1.9 | -93.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 645 | T | 31 | Very low | 39 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | | 168.5 | 149.2 | 120.5 | -165.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 646 | S | 31.6 | Very low | 40.4 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 46.7 | 140 | 160.2 | 59.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 647 | K | 37.8 | Very low | 42.2 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | -129.6 | -179.3 | 170.5 | -65.9 | -179.8 | 178.8 | 176.5 | 0 | 108.3 | | |
| 648 | P | 51.7 | Low | 43.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | | -118.9 | -159.8 | -64 | 43.3 | -27.5 | 0 | 0 | 0 | 109 | | |
| 649 | P | 46.2 | Very low | 45.6 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | | -143.6 | 177.1 | 59.2 | 38.7 | -17.4 | 0 | 0 | 0 | 116.6 | | |
| 650 | S | 42.2 | Very low | 47.4 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | | | trans | -27.4 | 127.9 | 170.5 | -174.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 651 | G | 38.3 | Very low | 48.9 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | | | trans | -161.6 | 112.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 652 | R | 46.6 | Very low | 50.5 | Low | 232 Ų | 232 | 124.4 Ų | 124.4 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | | | trans | -39.9 | 142 | -179.4 | -63.1 | 169.5 | 173.8 | -155.7 | -4 | 117.8 | | |
| 653 | K | 57.5 | Low | 52.2 | Low | 208 Ų | 208 | 123.8 Ų | 123.8 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | | | trans | 53.2 | 104.9 | 142 | -64.2 | -178.9 | 177 | -172.8 | 0 | 118.4 | | |
| 654 | G | 57 | Low | 53.5 | Low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | | | trans | -156.8 | 131.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 655 | M | 62.9 | Low | 54.7 | Low | 106 Ų | 106 | 128.3 Ų | 128.3 | 52% | 0.522 | 71% | 0.705 | S | S | . | * | | | trans | -69.6 | 144.5 | 164.7 | 24.9 | 170.3 | 50.6 | 0 | 0 | 109.3 | D659 L660 | M655-D659 HydrophobicContact CB-CB 4.21Å; M655-D659 WeakPolarHBondContact CB-OD2 3.45Å; M655-L660 HydrophobicContact CB-CD1 4.02Å; M655-L660 HydrophobicContact CG-CD1 3.61Å; M655-L660 HydrophobicContact SD-CD1 3.74Å; M655-L660 HydrophobicContact SD-CG 4.46Å |
| 656 | S | 62.7 | Low | 55.8 | Low | 69 Ų | 69 | 133.3 Ų | 133.3 | 48% | 0.483 | 71% | 0.71 | S | S | . | * | | | trans | -63.1 | 153.2 | -175.9 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | L658 D659 L660 | S656-L658 PolarHBondContact O-N 2.89Å; S656-L658 VanDerWaalsContact O-N 3.12Å; S656-L658 PolarHBondContact OG-N 3.14Å; S656-D659 WeakPolarHBondContact O-CA 3.24Å; S656-D659 VanDerWaalsContact O-CB 3.32Å; S656-D659 WeakPolarHBondContact O-CB 3.32Å; S656-D659 PolarHBondContact O-N 3.46Å; S656-L660 WeakPolarHBondContact O-CD1 3.3Å; S656-L660 PolarHBondContact O-N 2.86Å |
| 657 | R | 68 | Low | 56 | Low | 213 Ų | 213 | 135.8 Ų | 135.8 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -57.4 | -26.4 | 172 | 179.9 | 171.2 | 169.5 | 159.4 | -4 | 112.4 | L661 | R657-L661 WeakPolarHBondContact O-CD1 3.34Å; R657-L661 WeakPolarHBondContact O-CG 3.38Å; R657-L661 PolarHBondContact O-N 2.85Å |
| 658 | L | 69.6 | Low | 56.2 | Low | 134 Ų | 134 | 138 Ų | 138 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -72.3 | -37.6 | 172.9 | -59.5 | 176.4 | 0 | 0 | 0 | 112.2 | S656 L661 A662 | S656-L658 PolarHBondContact O-N 2.89Å; S656-L658 VanDerWaalsContact O-N 3.12Å; S656-L658 PolarHBondContact OG-N 3.14Å; L658-L661 PolarHBondContact O-N 2.97Å; L658-A662 PolarHBondContact O-N 2.84Å |
| 659 | D | 67.8 | Low | 55.4 | Low | 75 Ų | 75 | 138.9 Ų | 138.9 | 40% | 0.401 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -69.5 | -39.8 | 178 | -170 | 25.2 | 0 | 0 | 0 | 111 | M655 S656 L661 A662 Q663 | M655-D659 HydrophobicContact CB-CB 4.21Å; M655-D659 WeakPolarHBondContact CB-OD2 3.45Å; S656-D659 WeakPolarHBondContact O-CA 3.24Å; S656-D659 VanDerWaalsContact O-CB 3.32Å; S656-D659 WeakPolarHBondContact O-CB 3.32Å; S656-D659 PolarHBondContact O-N 3.46Å; D659-L661 PolarHBondContact O-N 3.44Å; D659-A662 PolarHBondContact O-N 3.13Å; D659-Q663 PolarHBondContact O-N 3.35Å |
| 660 | L | 69.1 | Low | 54.9 | Low | 99 Ų | 99 | 135.9 Ų | 135.9 | 52% | 0.518 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -61.4 | -27 | 169.5 | -91.7 | 80.5 | 0 | 0 | 0 | 113.8 | M655 S656 | M655-L660 HydrophobicContact CB-CD1 4.02Å; M655-L660 HydrophobicContact CG-CD1 3.61Å; M655-L660 HydrophobicContact SD-CD1 3.74Å; M655-L660 HydrophobicContact SD-CG 4.46Å; S656-L660 WeakPolarHBondContact O-CD1 3.3Å; S656-L660 PolarHBondContact O-N 2.86Å |
| 661 | L | 65.2 | Low | 54.3 | Low | 106 Ų | 106 | 135.4 Ų | 135.4 | 56% | 0.555 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -85.9 | -24.8 | 178.2 | -74.6 | 169.3 | 0 | 0 | 0 | 112.7 | R657 L658 D659 | R657-L661 WeakPolarHBondContact O-CD1 3.34Å; R657-L661 WeakPolarHBondContact O-CG 3.38Å; R657-L661 PolarHBondContact O-N 2.85Å; L658-L661 PolarHBondContact O-N 2.97Å; D659-L661 PolarHBondContact O-N 3.44Å |
| 662 | A | 64.7 | Low | 54.2 | Low | 77 Ų | 77 | 138.7 Ų | 138.7 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -82.4 | -11.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L658 D659 | L658-A662 PolarHBondContact O-N 2.84Å; D659-A662 PolarHBondContact O-N 3.13Å |
| 663 | Q | 67.9 | Low | 53.4 | Low | 110 Ų | 110 | 133.1 Ų | 133.1 | 51% | 0.514 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -68.6 | 128.4 | -179.6 | -66.1 | -156 | -20.3 | 0 | 0 | 112.5 | D659 R665 | D659-Q663 PolarHBondContact O-N 3.35Å; Q663-R665 PolarHBondContact O-N 3.43Å |
| 664 | P | 55.6 | Low | 52.1 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | | | trans | -67 | 110.4 | 175.1 | 27 | -33.2 | 0 | 0 | 0 | 109.8 | R666 | P664-R666 VanDerWaalsContact C-N 3.33Å; P664-R666 PolarHBondContact O-N 3.34Å |
| 665 | R | 54.5 | Low | 50.8 | Low | 194 Ų | 194 | 134.6 Ų | 134.6 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | | | trans | -66.6 | 85.6 | -179.1 | -69.1 | -175.5 | 176.5 | 84.4 | 0.6 | 111.3 | Q663 N667 | Q663-R665 PolarHBondContact O-N 3.43Å; R665-N667 PolarHBondContact O-N 2.95Å |
| 666 | R | 54.3 | Low | 49.2 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | | | trans | -64 | 122.4 | 163.5 | -66.3 | -176.5 | 67.9 | 163.5 | 1.5 | 108.2 | P664 R668 | P664-R666 VanDerWaalsContact C-N 3.33Å; P664-R666 PolarHBondContact O-N 3.34Å; R666-R668 PolarHBondContact O-N 3.47Å |
| 667 | N | 37.3 | Very low | 47.8 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | | | trans | -57.7 | 105.9 | -177.8 | -73.4 | -15.5 | 0 | 0 | 0 | 111.3 | R665 | R665-N667 PolarHBondContact O-N 2.95Š|
| 668 | R | 41 | Very low | 46.5 | Very low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 71% | 0.705 | S | S | * | * | | | trans | -86.7 | 116.6 | 170.2 | -171.7 | 178.1 | -176.4 | -176.4 | 0.3 | 108 | R666 | R666-R668 PolarHBondContact O-N 3.47Š|
| 669 | V | 34.6 | Very low | 45 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | | | trans | -76.7 | 129.4 | -170.3 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 670 | G | 35.7 | Very low | 43.2 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | | | trans | 83.1 | 177.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 671 | S | 31.1 | Very low | 41.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | 76.9 | 127.5 | -169.5 | -36.1 | 0 | 0 | 0 | 0 | 113 | | |
| 672 | V | 35 | Very low | 39.8 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | cis | -144.8 | 165.2 | 1.1 | -113.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 673 | S | 30 | Very low | 38 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | cis | -165.2 | 179 | 47.4 | -162.9 | 0 | 0 | 0 | 0 | 113 | | |
| 674 | A | 31 | Very low | 36.5 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | trans | 67.6 | 106.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 675 | R | 29.8 | Very low | 36.1 | Very low | 232 Ų | 232 | 140.6 Ų | 140.6 | 88% | 0.875 | 75% | 0.754 | S | S | * | * | | | | 75.6 | 136.3 | 64.6 | -65.7 | -176.7 | 83 | 142.6 | 7.3 | 112.5 | | |
| 676 | S | 29.4 | Very low | 35 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 49% | 0.49 | 76% | 0.755 | S | S | . | * | | | cis | -156.8 | 160.5 | 14.4 | -136 | 0 | 0 | 0 | 0 | 112 | | |
| 677 | D | 32.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | 57.7 | 146.6 | 147.3 | -47.7 | -33.2 | 0 | 0 | 0 | 120.5 | | |
| 678 | S | 40 | Very low | 33.6 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 58% | 0.58 | 75% | 0.747 | S | S | * | * | | | cis | -163.4 | 164 | -8.1 | -110.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 679 | E | 38 | Very low | 33.2 | Very low | 177 Ų | 177 | 121 Ų | 121 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | trans | 46.8 | 154.3 | 148.1 | 79 | -161.7 | 88.4 | 0 | 0 | 120.9 | | |
| 680 | C | 30.7 | Very low | 33.9 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 69% | 0.689 | 73% | 0.732 | S | S | * | * | | | cis | 165.8 | 150.1 | 6.4 | 149.2 | 0 | 0 | 0 | 0 | 104.6 | | |
| 681 | T | 31.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | cis | -161.9 | 175.9 | -14.6 | 40 | 0 | 0 | 0 | 0 | 109 | | |
| 682 | V | 31.6 | Very low | 34 | Very low | 132 Ų | 132 | 130 Ų | 130 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | trans | 54.5 | 138.3 | 139.2 | 159.7 | 0 | 0 | 0 | 0 | 120 | | |
| 683 | S | 26.3 | Very low | 33.9 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | | | cis | -165.2 | 149.5 | -3.5 | -102.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 684 | R | 37.6 | Very low | 34 | Very low | 228 Ų | 228 | 127.1 Ų | 127.1 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | | | | 55.7 | 154.3 | 80.5 | -91.7 | -173.1 | 150.7 | -134 | -1.1 | 115.9 | | |
| 685 | P | 45.5 | Very low | 34 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | | | cis | -146.9 | 179.9 | -23.7 | 42.4 | -24.4 | 0 | 0 | 0 | 116.9 | | |
| 686 | S | 31.2 | Very low | 34.1 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | 63.5 | 153.1 | 145.7 | -65.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 687 | T | 32.4 | Very low | 34.2 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | | | cis | -139 | -161.1 | 5.2 | -14.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 688 | A | 31.4 | Very low | 34.5 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | | | cis | -134.4 | -173.2 | 13.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 689 | S | 30.9 | Very low | 34.3 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | | | cis | 70.2 | 147.9 | 25.1 | -100.9 | 0 | 0 | 0 | 0 | 116 | | |
| 690 | P | 49.2 | Very low | 34 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | | | cis | -93.4 | -157.3 | 2.2 | 39.9 | -37.6 | 0 | 0 | 0 | 114.1 | | |
| 691 | R | 36.7 | Very low | 34 | Very low | 212 Ų | 212 | 130.1 Ų | 130.1 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -157.5 | 151.3 | -176 | -42.4 | 175.6 | -159.4 | 139.5 | 5.5 | 113.8 | | |
| 692 | L | 34.1 | Very low | 34 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | | | trans | -143.3 | 133.5 | 143.3 | -70.2 | -178 | 0 | 0 | 0 | 107.3 | | |
| 693 | S | 31.7 | Very low | 34 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | cis | 88.7 | 131.2 | 27.7 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 694 | A | 32.6 | Very low | 34 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | cis | -161.7 | 168.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 695 | E | 30.5 | Very low | 33.7 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | -177.6 | 156 | 147.1 | -107.2 | -70.9 | 82.6 | 0 | 0 | 111.2 | | |
| 696 | T | 32.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -150.6 | 130.4 | -168.1 | 51.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 697 | A | 31.5 | Very low | 33.3 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | | | trans | 72.8 | 166.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 698 | L | 37.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | trans | 78.4 | 147.9 | 167 | -44.5 | -171.8 | 0 | 0 | 0 | 117.2 | | |
| 699 | R | 35.8 | Very low | 33 | Very low | 196 Ų | 196 | 132 Ų | 132 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | | | cis | -157.3 | 129.6 | -17.2 | -107.7 | 171 | 87.1 | 112.8 | -1 | 108.6 | | |
| 700 | L | 32.6 | Very low | 32.9 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | | | | 61.6 | 122.5 | 95.6 | -62.8 | -173.1 | 0 | 0 | 0 | 118.4 | | |
| 701 | G | 29.9 | Very low | 31.8 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | | | trans | 150.8 | 116.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 702 | L | 32.3 | Very low | 31.7 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | | | cis | 109.8 | 132.9 | 18.3 | -76.6 | 171.8 | 0 | 0 | 0 | 113 | | |
| 703 | R | 31.6 | Very low | 31.4 | Very low | 223 Ų | 223 | 127.1 Ų | 127.1 | 84% | 0.842 | 72% | 0.718 | S | S | * | * | | | trans | 74.3 | 157.3 | 155.5 | -66.1 | 159.9 | -167.6 | -76.8 | -0.1 | 117 | | |
| 704 | S | 27 | Very low | 31.9 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | | | cis | -173.3 | 178.1 | -22.3 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 705 | T | 30.9 | Very low | 31.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | | | trans | 64.8 | 107.9 | 156 | 49.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 706 | T | 26.1 | Very low | 31.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | | | | 24.3 | 160.4 | 105.9 | 60.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 707 | P | 41.2 | Very low | 31.5 | Very low | 97 Ų | 97 | 135 Ų | 135 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | | | cis | -138.9 | -170.5 | -30.1 | 36.6 | -16.6 | 0 | 0 | 0 | 113.3 | | |
| 708 | T | 29.3 | Very low | 31.2 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 61% | 0.613 | 71% | 0.71 | S | S | * | * | | | trans | 64.5 | 169.8 | 168.4 | 70 | 0 | 0 | 0 | 0 | 115.1 | | |
| 709 | E | 28.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | | | cis | -149.6 | 169 | -1.3 | -148.5 | -165.4 | 112.5 | 0 | 0 | 110.8 | | |
| 710 | N | 28.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 58% | 0.578 | 72% | 0.717 | S | S | * | * | | | trans | 13.7 | 128.5 | 151.3 | -81.9 | -24.4 | 0 | 0 | 0 | 123.3 | | |
| 711 | Q | 27.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | | 66.6 | 137 | 122 | -64.8 | -76.3 | 33.4 | 0 | 0 | 122.8 | | |
| 712 | L | 34.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | trans | 58.3 | 100.1 | 145.1 | -60.3 | 169.2 | 0 | 0 | 0 | 119.9 | | |
| 713 | S | 28.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | | | | 16.5 | 152.8 | 116.2 | 73.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 714 | P | 41.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | | | cis | -148.9 | -167.1 | 19.3 | 36.7 | -12.1 | 0 | 0 | 0 | 116.8 | | |
| 715 | R | 30 | Very low | 30.7 | Very low | 206 Ų | 206 | 125.1 Ų | 125.1 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | | | trans | 84.1 | 106.6 | 133.8 | -159.2 | 176.6 | -163 | 100.5 | 2 | 122.1 | | |
| 716 | M | 29 | Very low | 30.4 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | | | trans | 58.1 | 142.5 | 141.1 | -50.9 | 168 | 76.2 | 0 | 0 | 118.3 | | |
| 717 | R | 27.5 | Very low | 30.9 | Very low | 205 Ų | 205 | 125.3 Ų | 125.3 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | | | | -177.5 | 129.4 | 51.6 | 176.4 | -175.9 | -74.5 | 109.1 | -10.4 | 112.4 | | |
| 718 | A | 26.8 | Very low | 30.4 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | | | trans | 51.7 | 146.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 719 | N | 27.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | | | trans | 85.7 | 132.9 | 142.2 | -70.9 | 3.9 | 0 | 0 | 0 | 123.3 | | |
| 720 | S | 29.8 | Very low | 30.2 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | | | trans | -94.2 | 157.4 | -176.4 | -27 | 0 | 0 | 0 | 0 | 114.1 | | |
| 721 | V | 29.3 | Very low | 30 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | | | trans | -173.8 | 172.3 | 146 | -91.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 722 | S | 32.9 | Very low | 30 | Very low | 54 Ų | 54 | 130.7 Ų | 130.7 | 38% | 0.378 | 70% | 0.698 | S | S | . | * | | | cis | -176.5 | 157 | -45 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | Q590 A591 | Q590-S722 CarbonylContact O-C 3.42Å; Q590-S722 WeakPolarHBondContact O-CA 3.5Å; Q590-S722 PolarHBondContact O-OG 3.38Å; Q590-S722 VanDerWaalsContact O-OG 3.07Å; A591-S722 CarbonylContact O-C 3.46Å; A591-S722 WeakPolarHBondContact O-CA 3.06Å |
| 723 | K | 37 | Very low | 29.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 59% | 0.591 | 70% | 0.7 | S | S | * | * | | | trans | 73.3 | 148.2 | 176.8 | -40.9 | -172.3 | -176.1 | 174.8 | 0 | 114.3 | L589 Q590 A591 | L589-K723 HydrophobicContact CB-CG 4.29Å; L589-K723 HydrophobicContact CD1-CD 3.94Å; L589-K723 HydrophobicContact CD1-CG 3.89Å; L589-K723 HydrophobicContact CG-CG 4.46Å; Q590-K723 PolarHBondContact O-N 2.95Å; A591-K723 CarbonylContact O-C 3.02Å; A591-K723 PolarHBondContact O-N 3.15Å |
| 724 | L | 30.5 | Very low | 29.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 58% | 0.576 | 71% | 0.706 | S | S | * | * | | | cis | -141.3 | -166 | 6.3 | -148.7 | 71.4 | 0 | 0 | 0 | 106.5 | L589 Q590 | L589-L724 HydrophobicContact CD2-CD1 3.88Å; Q590-L724 VanDerWaalsContact OE1-CA 3.24Å |
| 725 | N | 29.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 60% | 0.599 | 70% | 0.702 | S | S | * | * | | | cis | -152.5 | -175.8 | -5.6 | -162.7 | 13.8 | 0 | 0 | 0 | 110.6 | Q590 | Q590-N725 PolarHBondContact NE2-O 3.43Å; Q590-N725 VanDerWaalsContact OE1-N 3.14Å |
| 726 | E | 23.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | trans | -102.1 | -163.9 | 155.5 | -52.1 | -164.6 | 162.8 | 0 | 0 | 110.1 | | |
| 727 | P | 38.2 | Very low | 28.5 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 62% | 0.617 | 71% | 0.711 | S | S | * | * | | | cis | -142 | 163.6 | -9.8 | 40.9 | -22.1 | 0 | 0 | 0 | 118.9 | | |
| 728 | K | 29.5 | Very low | 28.8 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | | | trans | 61.1 | 142.2 | 136.4 | -74.3 | 166.4 | -174.4 | 151.2 | 0 | 123.6 | | |
| 729 | T | 27.3 | Very low | 29.2 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | | | trans | 72.8 | 154.6 | 144.8 | 61 | 0 | 0 | 0 | 0 | 119.7 | | |
| 730 | K | 27.2 | Very low | 29.2 | Very low | 183 Ų | 183 | 123.2 Ų | 123.2 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | | | cis | -171.3 | 161.6 | -26.9 | -103.4 | -177.3 | -175.4 | -179.9 | 0 | 108 | | |
| 731 | T | 24.3 | Very low | 28.9 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | | | trans | 80.5 | 150.9 | 152.9 | -7.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 732 | T | 27.3 | Very low | 29 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | | | trans | 72.8 | 95.1 | 150.2 | 27.2 | 0 | 0 | 0 | 0 | 122 | | |
| 733 | T | 25.5 | Very low | 28.7 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | | | | 48.3 | 100.7 | 105.8 | -45 | 0 | 0 | 0 | 0 | 119.8 | | |
| 734 | S | 29.5 | Very low | 28.2 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | | | | 14.4 | 126.3 | 125.8 | 164.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 735 | G | 25.7 | Very low | 28 | Very low | 62 Ų | 62 | 122.3 Ų | 122.3 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | | | trans | 156.2 | 119.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 736 | Y | 24.2 | Very low | 27.9 | Very low | 232 Ų | 232 | 126.6 Ų | 126.6 | 91% | 0.91 | 73% | 0.734 | S | S | * | * | | | trans | 63.1 | 160.8 | 159.1 | -83.9 | -118.4 | 0 | 0 | 0 | 115.8 | | |
| 737 | C | 27.1 | Very low | 28 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | | | cis | -138.5 | 136 | 13.6 | -161.8 | 0 | 0 | 0 | 0 | 112 | | |
| 738 | S | 33.6 | Very low | 28.1 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | -96.3 | 147.7 | 157.3 | -44.3 | 0 | 0 | 0 | 0 | 108 | | |
| 739 | P | 35.4 | Very low | 28.2 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | | -145 | -166.6 | 90 | 35.1 | -13 | 0 | 0 | 0 | 111.4 | | |
| 740 | T | 26.2 | Very low | 28.3 | Very low | 122 Ų | 122 | 138 Ų | 138 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -158.9 | 161.6 | 27.2 | -23.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 741 | V | 23.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | | | trans | -22.1 | 143.2 | 175.7 | -63.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 742 | S | 31.6 | Very low | 29.6 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | trans | 151.1 | 89.6 | 135.9 | -70.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 743 | S | 25.3 | Very low | 29.7 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | cis | 70.1 | 67.2 | 27.7 | -67 | 0 | 0 | 0 | 0 | 116.6 | | |
| 744 | S | 27.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | trans | -154.5 | 104.9 | 138.2 | -161 | 0 | 0 | 0 | 0 | 109.1 | | |
| 745 | S | 26.6 | Very low | 29.8 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 49% | 0.49 | 74% | 0.744 | S | S | . | * | | | | 71.9 | 117.1 | 71.9 | -83.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 746 | R | 26.3 | Very low | 30.1 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | 65.1 | 136.2 | 144.2 | -63.9 | 162.5 | -101.3 | -154.6 | -1.6 | 115.5 | | |
| 747 | W | 26.2 | Very low | 30.7 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 75% | 0.746 | 75% | 0.75 | S | S | * | * | | | cis | -148.7 | 160.9 | 39.3 | -79.1 | 84 | 0 | 0 | 0 | 113.6 | | |
| 748 | R | 40.2 | Very low | 31 | Very low | 238 Ų | 238 | 136.1 Ų | 136.1 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | | | trans | -71.2 | 132.1 | 148 | -64.7 | -168.2 | -60.6 | -124.2 | 4.9 | 108.5 | | |
| 749 | R | 30.3 | Very low | 31 | Very low | 183 Ų | 183 | 139 Ų | 139 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | 175.1 | 153.4 | 161 | -102 | 175.9 | -121.1 | -84 | 4.9 | 108.9 | | |
| 750 | L | 30.3 | Very low | 31 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | cis | -158.4 | -154.9 | -27.4 | -122.3 | -170.7 | 0 | 0 | 0 | 106.9 | | |
| 751 | P | 43 | Very low | 31.7 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 49% | 0.487 | 75% | 0.748 | S | S | . | * | | | trans | -89.3 | 177.7 | -170.1 | 42 | -36.2 | 0 | 0 | 0 | 112.2 | E753 | P751-E753 HydrophobicContact CG-CG 4.09Š|
| 752 | P | 36.6 | Very low | 32.3 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | -81.3 | 105.1 | 149.1 | 17.7 | -1 | 0 | 0 | 0 | 109.4 | | |
| 753 | E | 28.2 | Very low | 32.3 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -92.9 | 120.5 | 156.4 | -80.7 | 172.8 | -128.4 | 0 | 0 | 108 | P751 | P751-E753 HydrophobicContact CG-CG 4.09Š|
| 754 | Y | 29.8 | Very low | 32.5 | Very low | 245 Ų | 245 | 144.2 Ų | 144.2 | 96% | 0.961 | 75% | 0.752 | S | S | * | * | | | trans | 179.4 | 130.6 | 146.1 | -113.1 | -80.3 | 0 | 0 | 0 | 107.9 | | |
| 755 | G | 27.9 | Very low | 32.6 | Very low | 64 Ų | 64 | 143.3 Ų | 143.3 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | | | cis | -166.5 | 174.2 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 756 | S | 32.1 | Very low | 33 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | | | trans | -70.1 | 137.6 | 177.1 | -49.1 | 0 | 0 | 0 | 0 | 112 | | |
| 757 | T | 35.9 | Very low | 33.3 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -93.6 | 125.1 | 148.1 | 51.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 758 | S | 33.2 | Very low | 33.2 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | trans | 40.3 | 153.4 | 140.1 | 49.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 759 | E | 35.1 | Very low | 32.7 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | cis | -147.8 | -151.3 | 5.5 | -137.6 | 148.2 | 98.3 | 0 | 0 | 112 | | |
| 760 | E | 34.6 | Very low | 32.6 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | | | trans | -63.1 | 172.3 | 176.3 | 62.2 | -174.6 | -153.8 | 0 | 0 | 114 | | |
| 761 | E | 41.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | cis | -153 | 123.3 | 38 | -161.3 | -172 | 169.1 | 0 | 0 | 115.3 | | |
| 762 | F | 36.3 | Very low | 32.1 | Very low | 197 Ų | 197 | 138 Ų | 138 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | 58.3 | 172.9 | 150.7 | -76.9 | -121.2 | 0 | 0 | 0 | 120.8 | | |
| 763 | G | 30.6 | Very low | 31.7 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 124.8 | 9.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 764 | S | 29.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -25.9 | 124.8 | 154.6 | 176.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 765 | S | 30.2 | Very low | 32.2 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | | -176.1 | 121.9 | 117.6 | -86.5 | 0 | 0 | 0 | 0 | 116 | | |
| 766 | R | 34.8 | Very low | 32.3 | Very low | 226 Ų | 226 | 138.5 Ų | 138.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | | 45.8 | 120.6 | 126.7 | -55.3 | 162.6 | 174.7 | -133.6 | -2.8 | 117.1 | | |
| 767 | N | 32.2 | Very low | 32.4 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | | -159.4 | 143.3 | 58.7 | 44.8 | 16.1 | 0 | 0 | 0 | 115 | | |
| 768 | S | 25.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -83.5 | 175 | 156.9 | 55.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 769 | A | 29.5 | Very low | 32.2 | Very low | 78 Ų | 78 | 143 Ų | 143 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | | | cis | -161.6 | 147.5 | 34.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 770 | K | 27.3 | Very low | 31.9 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | | 82.8 | 145.9 | 76.8 | -162.9 | -176 | -176.3 | -179.9 | 0 | 112.6 | | |
| 771 | H | 32.7 | Very low | 31.6 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | 74.5 | 136.4 | -173.8 | -50.3 | -92.2 | 0 | 0 | 0 | 114.2 | | |
| 772 | G | 29.9 | Very low | 31 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | cis | -169.1 | 159.3 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 773 | A | 28.4 | Very low | 30.8 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -21.6 | 145.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 774 | R | 33.9 | Very low | 30.8 | Very low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | cis | 176.8 | -170.6 | 24.8 | -117.1 | 172 | -170.4 | -171.9 | 3.2 | 106.6 | | |
| 775 | P | 35 | Very low | 30.7 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | cis | -132.9 | 141.6 | -26.4 | 32.4 | -14.4 | 0 | 0 | 0 | 113.9 | | |
| 776 | H | 31 | Very low | 30.8 | Very low | 182 Ų | 182 | 151 Ų | 151 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -154.1 | 176 | 133.8 | -136 | -111.2 | 0 | 0 | 0 | 114.4 | R778 | H776-R778 PolarHBondContact O-N 2.71Š|
| 777 | V | 33.7 | Very low | 30.4 | Very low | 116 Ų | 116 | 145 Ų | 145 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | | | trans | -74.8 | 108.7 | -153.9 | 177.7 | 0 | 0 | 0 | 0 | 115 | | |
| 778 | R | 29.8 | Very low | 30.3 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | 52.7 | 121.8 | 130.1 | -145.1 | 178.8 | -142.6 | 121 | 2.5 | 120.4 | H776 | H776-R778 PolarHBondContact O-N 2.71Š|
| 779 | P | 34.9 | Very low | 30.4 | Very low | 98 Ų | 98 | 148 Ų | 148 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | -112.3 | -175.6 | 177.8 | 36 | -23.2 | 0 | 0 | 0 | 115.5 | | |
| 780 | H | 27.7 | Very low | 30.4 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | 75.6 | 138.6 | 167.8 | -54.6 | -71.9 | 0 | 0 | 0 | 120.2 | | |
| 781 | H | 29.8 | Very low | 30.4 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | | | trans | 45.5 | 111.4 | 146.4 | 76.4 | -17 | 0 | 0 | 0 | 119.9 | | |
| 782 | L | 27.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -139.6 | 127.9 | 145.8 | -81.4 | -177.8 | 0 | 0 | 0 | 110.8 | | |
| 783 | V | 33.2 | Very low | 30.7 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 126 | 151.2 | 170.6 | 0 | 0 | 0 | 0 | 107 | | |
| 784 | P | 29.5 | Very low | 31.3 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 124.5 | 145.5 | -16.2 | 33.3 | 0 | 0 | 0 | 111.1 | | |
| 785 | H | 28.5 | Very low | 31.1 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 154.8 | 158.7 | -72.1 | -84.3 | 0 | 0 | 0 | 109.5 | | |
| 786 | R | 31.8 | Very low | 31.2 | Very low | 229 Ų | 229 | 144.4 Ų | 144.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | 44.1 | 136.9 | 143.5 | -65.8 | 178.3 | 172.6 | -120.1 | -0.8 | 117.9 | | |
| 787 | S | 26.6 | Very low | 31.3 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | cis | -173.8 | 160.7 | 44.6 | -152.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 788 | S | 29.8 | Very low | 31.7 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | | | trans | 35.2 | 127.2 | 139.1 | -173.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 789 | R | 27.6 | Very low | 31.9 | Very low | 247 Ų | 247 | 134 Ų | 134 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | | | | -146.9 | 153.9 | 121.9 | -110.1 | 163.5 | -151.8 | -90 | -0.5 | 112.4 | | |
| 790 | L | 30.9 | Very low | 31.9 | Very low | 174 Ų | 174 | 133 Ų | 133 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | | | trans | -84.3 | 157.4 | 178.8 | -64.5 | 153.3 | 0 | 0 | 0 | 110.4 | | |
| 791 | G | 26.7 | Very low | 32.2 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | | | trans | -170.1 | 85.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 792 | S | 38.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 129 Ų | 129 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -131 | 104.2 | 163.5 | -179.1 | 0 | 0 | 0 | 0 | 109 | | |
| 793 | A | 30.7 | Very low | 33.3 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -163.7 | 143.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 794 | S | 39.5 | Very low | 33.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | -74.8 | 149.1 | 175.7 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 795 | S | 30.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | | | trans | -138 | 158.5 | 152.1 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 796 | S | 37.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -135.3 | 106.7 | -159.2 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 797 | G | 34 | Very low | 35.3 | Very low | 78 Ų | 78 | 116 Ų | 116 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | 70.1 | 178.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 798 | P | 41.8 | Very low | 36.5 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | cis | -124.6 | 170 | -1 | 41.2 | -27.7 | 0 | 0 | 0 | 115.6 | | |
| 799 | A | 34.5 | Very low | 37.5 | Very low | 103 Ų | 103 | 113.2 Ų | 113.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | 36.5 | 131.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 800 | G | 34.1 | Very low | 38.8 | Very low | 77 Ų | 77 | 106.8 Ų | 106.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 89 | 144.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 801 | V | 34.5 | Very low | 40 | Very low | 148 Ų | 148 | 106.2 Ų | 106.2 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | cis | -129.5 | 160.5 | 9.8 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 802 | A | 42.9 | Very low | 41.4 | Very low | 102 Ų | 102 | 108 Ų | 108 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -64 | 146.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 803 | A | 36 | Very low | 42.4 | Very low | 95 Ų | 95 | 110.5 Ų | 110.5 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | -124.5 | 142 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 804 | I | 37.7 | Very low | 44 | Very low | 159 Ų | 159 | 111.6 Ų | 111.6 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | -75.5 | 132.3 | -164.4 | -59.9 | 163.8 | 0 | 0 | 0 | 111.6 | G806 | I804-G806 VanDerWaalsContact C-N 3.3Å; I804-G806 PolarHBondContact O-N 3.44Å |
| 805 | P | 42.6 | Very low | 45.8 | Very low | 138 Ų | 138 | 111.6 Ų | 111.6 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 73.5 | 179.2 | 33.3 | -36.3 | 0 | 0 | 0 | 112.1 | | |
| 806 | G | 43.3 | Very low | 48.1 | Very low | 64 Ų | 64 | 110.7 Ų | 110.7 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.5 | -21.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I804 A808 | I804-G806 VanDerWaalsContact C-N 3.3Å; I804-G806 PolarHBondContact O-N 3.44Å; G806-A808 PolarHBondContact O-N 3Å |
| 807 | G | 43 | Very low | 50.2 | Low | 55 Ų | 55 | 111 Ų | 111 | 57% | 0.567 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -86.2 | -2.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 808 | A | 50.5 | Low | 52.6 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -77 | -44.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G806 I810 K811 H812 | G806-A808 PolarHBondContact O-N 3Å; A808-I810 VanDerWaalsContact C-N 3.35Å; A808-I810 PolarHBondContact O-N 3.09Å; A808-K811 PolarHBondContact O-N 3.29Å; A808-H812 PolarHBondContact O-N 2.86Å |
| 809 | G | 51.8 | Low | 54.7 | Low | 48 Ų | 48 | 109.3 Ų | 109.3 | 50% | 0.495 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.9 | -33.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H812 R813 | G809-H812 WeakPolarHBondContact O-CB 3.34Å; G809-H812 PolarHBondContact O-N 2.66Å; G809-R813 PolarHBondContact O-N 3Å |
| 810 | I | 54.7 | Low | 57.5 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.6 | -43.6 | 177.2 | -60.2 | 174.2 | 0 | 0 | 0 | 110.2 | A808 H812 R813 M814 | A808-I810 VanDerWaalsContact C-N 3.35Å; A808-I810 PolarHBondContact O-N 3.09Å; I810-H812 VanDerWaalsContact C-N 3.28Å; I810-H812 PolarHBondContact O-N 3.34Å; I810-R813 PolarHBondContact O-N 3.08Å; I810-M814 HydrophobicContact CG2-SD 4.04Å; I810-M814 WeakPolarHBondContact O-CG 3.15Å; I810-M814 PolarHBondContact O-N 3.12Å |
| 811 | K | 55.2 | Low | 60.3 | Low | 162 Ų | 162 | 111.9 Ų | 111.9 | 70% | 0.704 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.5 | -26 | 176.3 | -67.7 | -163.3 | 176.1 | -170.5 | 0 | 112.9 | A808 K815 | A808-K811 PolarHBondContact O-N 3.29Å; K811-K815 VanDerWaalsContact O-CB 3.26Å; K811-K815 WeakPolarHBondContact O-CB 3.37Å; K811-K815 PolarHBondContact O-N 3.45Å |
| 812 | H | 57.5 | Low | 63.1 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.5 | -59.3 | 169.4 | -162.1 | -77.2 | 0 | 0 | 0 | 110.7 | A808 G809 I810 M814 K815 E816 | A808-H812 PolarHBondContact O-N 2.86Å; G809-H812 WeakPolarHBondContact O-CB 3.34Å; G809-H812 PolarHBondContact O-N 2.66Å; I810-H812 VanDerWaalsContact C-N 3.28Å; I810-H812 PolarHBondContact O-N 3.34Å; H812-M814 VanDerWaalsContact C-N 3.29Å; H812-M814 PolarHBondContact O-N 2.84Å; H812-K815 PolarHBondContact O-N 3.14Å; H812-E816 IonicContact CE1-OE2 3.81Å; H812-E816 PolarHBondContact CE1-OE2 2.98Å; H812-E816 IonicContact ND1-OE2 2.67Å; H812-E816 PolarHBondContact ND1-OE2 2.88Å; H812-E816 VanDerWaalsContact O-CB 3.23Å; H812-E816 WeakPolarHBondContact O-CB 3.35Å; H812-E816 PolarHBondContact O-N 3.29Å |
| 813 | R | 58.9 | Low | 65.5 | Low | 182 Ų | 182 | 109.6 Ų | 109.6 | 69% | 0.687 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.2 | -38.2 | -178.9 | -73.7 | -160.4 | -67.4 | -124.7 | 3.3 | 113.3 | G809 I810 E816 Q817 | G809-R813 PolarHBondContact O-N 3Å; I810-R813 PolarHBondContact O-N 3.08Å; R813-E816 PolarHBondContact O-N 3.14Å; R813-Q817 VanDerWaalsContact O-CB 3.31Å; R813-Q817 WeakPolarHBondContact O-CB 3.32Å; R813-Q817 PolarHBondContact O-N 3.28Å |
| 814 | M | 65.4 | Low | 68.3 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 62% | 0.616 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.3 | -41.8 | 174.9 | -66.4 | 177 | 77.6 | 0 | 0 | 112.4 | I810 H812 E818 | I810-M814 HydrophobicContact CG2-SD 4.04Å; I810-M814 WeakPolarHBondContact O-CG 3.15Å; I810-M814 PolarHBondContact O-N 3.12Å; H812-M814 VanDerWaalsContact C-N 3.29Å; H812-M814 PolarHBondContact O-N 2.84Å; M814-E818 WeakPolarHBondContact O-CB 3.13Å; M814-E818 PolarHBondContact O-N 3.2Å |
| 815 | K | 75.8 | Confident | 71 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 53% | 0.526 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.8 | -37.1 | 176.1 | -179.4 | 179.7 | 176.2 | -68.7 | 0 | 111.9 | K811 H812 E818 E819 | K811-K815 VanDerWaalsContact O-CB 3.26Å; K811-K815 WeakPolarHBondContact O-CB 3.37Å; K811-K815 PolarHBondContact O-N 3.45Å; H812-K815 PolarHBondContact O-N 3.14Å; K815-E818 CarbonylContact O-C 3.55Å; K815-E818 WeakPolarHBondContact O-CB 3.48Å; K815-E818 PolarHBondContact O-N 3.44Å; K815-E819 IonicContact NZ-OE2 3.67Å; K815-E819 PolarHBondContact NZ-OE2 2.79Å; K815-E819 WeakPolarHBondContact O-CB 3.2Å; K815-E819 PolarHBondContact O-N 2.89Å |
| 816 | E | 78.2 | Confident | 73.6 | Confident | 105 Ų | 105 | 104.5 Ų | 104.5 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 179 | -174.8 | 173.1 | -172.7 | 0 | 0 | 111.4 | H812 R813 E819 Y820 | H812-E816 IonicContact CE1-OE2 3.81Å; H812-E816 PolarHBondContact CE1-OE2 2.98Å; H812-E816 IonicContact ND1-OE2 2.67Å; H812-E816 PolarHBondContact ND1-OE2 2.88Å; H812-E816 VanDerWaalsContact O-CB 3.23Å; H812-E816 WeakPolarHBondContact O-CB 3.35Å; H812-E816 PolarHBondContact O-N 3.29Å; R813-E816 PolarHBondContact O-N 3.14Å; E816-E819 WeakPolarHBondContact O-CB 3.29Å; E816-E819 PolarHBondContact O-N 2.83Å; E816-Y820 WeakPolarHBondContact O-CB 3.45Å; E816-Y820 PolarHBondContact O-N 2.95Å |
| 817 | Q | 82.1 | Confident | 76.2 | Confident | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 168.9 | -173.5 | 176.9 | -1.1 | 0 | 0 | 111.9 | R813 Y820 I821 | R813-Q817 VanDerWaalsContact O-CB 3.31Å; R813-Q817 WeakPolarHBondContact O-CB 3.32Å; R813-Q817 PolarHBondContact O-N 3.28Å; Q817-Y820 PolarHBondContact O-N 3.06Å; Q817-I821 HydrophobicContact CG-CD1 4.01Å; Q817-I821 WeakPolarHBondContact O-CB 3.49Å; Q817-I821 VanDerWaalsContact O-CG1 3.22Å; Q817-I821 WeakPolarHBondContact O-CG1 3.49Å; Q817-I821 PolarHBondContact O-N 3.42Å |
| 818 | E | 83.6 | Confident | 78.6 | Confident | 106 Ų | 106 | 106.5 Ų | 106.5 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -32.4 | 172.9 | -178 | 68 | -136.3 | 0 | 0 | 112.4 | M814 K815 R822 | M814-E818 WeakPolarHBondContact O-CB 3.13Å; M814-E818 PolarHBondContact O-N 3.2Å; K815-E818 CarbonylContact O-C 3.55Å; K815-E818 WeakPolarHBondContact O-CB 3.48Å; K815-E818 PolarHBondContact O-N 3.44Å; E818-R822 WeakPolarHBondContact O-CB 3.38Å; E818-R822 WeakPolarHBondContact O-CG 3.41Å; E818-R822 PolarHBondContact O-N 3.31Å; E818-R822 VanDerWaalsContact O-N 3.07Å; E818-R822 PolarHBondContact O-NE 2.82Å; E818-R822 VanDerWaalsContact O-NE 3.08Å |
| 819 | E | 87.3 | Confident | 80.8 | Confident | 64 Ų | 64 | 108.4 Ų | 108.4 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -51.6 | 170.4 | -147.3 | 103 | -109.3 | 0 | 0 | 109.8 | K815 E816 I821 R822 D823 | K815-E819 IonicContact NZ-OE2 3.67Å; K815-E819 PolarHBondContact NZ-OE2 2.79Å; K815-E819 WeakPolarHBondContact O-CB 3.2Å; K815-E819 PolarHBondContact O-N 2.89Å; E816-E819 WeakPolarHBondContact O-CB 3.29Å; E816-E819 PolarHBondContact O-N 2.83Å; E819-I821 VanDerWaalsContact C-N 3.33Å; E819-I821 PolarHBondContact O-N 2.96Å; E819-R822 VanDerWaalsContact CA-NH2 3.31Å; E819-R822 PolarHBondContact O-N 3.48Å; E819-R822 VanDerWaalsContact O-N 3.13Å; E819-R822 IonicContact OE1-CZ 2.66Å; E819-R822 VanDerWaalsContact OE1-CZ 3.29Å; E819-R822 IonicContact OE1-NH1 3.27Å; E819-R822 PolarHBondContact OE1-NH1 2.72Å; E819-R822 IonicContact OE1-NH2 3.68Å; E819-R822 PolarHBondContact OE1-NH2 3.48Å; E819-R822 IonicContact OE2-NH2 3.76Å; E819-D823 WeakPolarHBondContact O-CB 3.45Å; E819-D823 VanDerWaalsContact O-CG 3.29Å; E819-D823 PolarHBondContact O-N 3.34Å |
| 820 | Y | 92.9 | Very high | 82.9 | Confident | 155 Ų | 155 | 110 Ų | 110 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.6 | -40.1 | 176.7 | -177.6 | -93.7 | 0 | 0 | 0 | 112.8 | E816 Q817 W824 | E816-Y820 WeakPolarHBondContact O-CB 3.45Å; E816-Y820 PolarHBondContact O-N 2.95Å; Q817-Y820 PolarHBondContact O-N 3.06Å; Y820-W824 WeakPolarHBondContact O-CB 3.29Å; Y820-W824 PolarHBondContact O-N 2.85Å |
| 821 | I | 92.1 | Very high | 84.9 | Confident | 78 Ų | 78 | 108.6 Ų | 108.6 | 40% | 0.4 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 176.1 | -71.3 | 165.3 | 0 | 0 | 0 | 111.1 | Q817 E819 T825 | Q817-I821 HydrophobicContact CG-CD1 4.01Å; Q817-I821 WeakPolarHBondContact O-CB 3.49Å; Q817-I821 VanDerWaalsContact O-CG1 3.22Å; Q817-I821 WeakPolarHBondContact O-CG1 3.49Å; Q817-I821 PolarHBondContact O-N 3.42Å; E819-I821 VanDerWaalsContact C-N 3.33Å; E819-I821 PolarHBondContact O-N 2.96Å; I821-T825 VanDerWaalsContact O-CB 3.3Å; I821-T825 WeakPolarHBondContact O-CB 3.23Å; I821-T825 PolarHBondContact O-N 2.79Å; I821-T825 PolarHBondContact O-OG1 3.43Å |
| 822 | R | 93 | Very high | 86.9 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 174.9 | -78.5 | -179.9 | -69.3 | 116 | -6.4 | 112.5 | E818 E819 T825 A826 | E818-R822 WeakPolarHBondContact O-CB 3.38Å; E818-R822 WeakPolarHBondContact O-CG 3.41Å; E818-R822 PolarHBondContact O-N 3.31Å; E818-R822 VanDerWaalsContact O-N 3.07Å; E818-R822 PolarHBondContact O-NE 2.82Å; E818-R822 VanDerWaalsContact O-NE 3.08Å; E819-R822 VanDerWaalsContact CA-NH2 3.31Å; E819-R822 PolarHBondContact O-N 3.48Å; E819-R822 VanDerWaalsContact O-N 3.13Å; E819-R822 IonicContact OE1-CZ 2.66Å; E819-R822 VanDerWaalsContact OE1-CZ 3.29Å; E819-R822 IonicContact OE1-NH1 3.27Å; E819-R822 PolarHBondContact OE1-NH1 2.72Å; E819-R822 IonicContact OE1-NH2 3.68Å; E819-R822 PolarHBondContact OE1-NH2 3.48Å; E819-R822 IonicContact OE2-NH2 3.76Å; R822-T825 WeakPolarHBondContact O-CB 3.09Å; R822-T825 PolarHBondContact O-N 2.61Å; R822-A826 WeakPolarHBondContact O-CB 3.49Å; R822-A826 PolarHBondContact O-N 2.97Å |
| 823 | D | 94.9 | Very high | 88.8 | Confident | 99 Ų | 99 | 103 Ų | 103 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.7 | -38.4 | 179.4 | -68.4 | -10.2 | 0 | 0 | 0 | 110.9 | E819 A826 H827 | E819-D823 WeakPolarHBondContact O-CB 3.45Å; E819-D823 VanDerWaalsContact O-CG 3.29Å; E819-D823 PolarHBondContact O-N 3.34Å; D823-A826 PolarHBondContact O-N 3.11Å; D823-H827 VanDerWaalsContact O-CB 3.24Å; D823-H827 WeakPolarHBondContact O-CB 3.46Å; D823-H827 PolarHBondContact O-N 3.29Å |
| 824 | W | 94.4 | Very high | 90.7 | Very high | 159 Ų | 159 | 98.8 Ų | 98.8 | 60% | 0.602 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 168.3 | 178.1 | -96.1 | 0 | 0 | 0 | 111.8 | Y820 H827 S828 | Y820-W824 WeakPolarHBondContact O-CB 3.29Å; Y820-W824 PolarHBondContact O-N 2.85Å; W824-H827 PolarHBondContact O-N 3.35Å; W824-S828 WeakPolarHBondContact O-CB 3.46Å; W824-S828 PolarHBondContact O-N 3.37Å |
| 825 | T | 94.6 | Very high | 92.2 | Very high | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | I821 R822 H827 S828 E829 | I821-T825 VanDerWaalsContact O-CB 3.3Å; I821-T825 WeakPolarHBondContact O-CB 3.23Å; I821-T825 PolarHBondContact O-N 2.79Å; I821-T825 PolarHBondContact O-OG1 3.43Å; R822-T825 WeakPolarHBondContact O-CB 3.09Å; R822-T825 PolarHBondContact O-N 2.61Å; T825-H827 PolarHBondContact O-N 3.37Å; T825-S828 PolarHBondContact O-N 3.06Å; T825-S828 PolarHBondContact O-OG 3.13Å; T825-E829 PolarHBondContact O-N 3.35Å |
| 826 | A | 96.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R822 D823 E829 E830 | R822-A826 WeakPolarHBondContact O-CB 3.49Å; R822-A826 PolarHBondContact O-N 2.97Å; D823-A826 PolarHBondContact O-N 3.11Å; A826-E829 PolarHBondContact O-N 2.61Å; A826-E830 WeakPolarHBondContact O-CB 3.44Å; A826-E830 PolarHBondContact O-N 3.27Å |
| 827 | H | 97.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 94.5 Ų | 94.5 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 173.5 | -173.1 | 51 | 0 | 0 | 0 | 111.9 | D823 W824 T825 E830 I831 | D823-H827 VanDerWaalsContact O-CB 3.24Å; D823-H827 WeakPolarHBondContact O-CB 3.46Å; D823-H827 PolarHBondContact O-N 3.29Å; W824-H827 PolarHBondContact O-N 3.35Å; T825-H827 PolarHBondContact O-N 3.37Å; H827-E830 WeakPolarHBondContact O-CB 3.34Å; H827-E830 PolarHBondContact O-N 3.34Å; H827-I831 VanDerWaalsContact O-CG1 3.31Å; H827-I831 WeakPolarHBondContact O-CG1 3.36Å; H827-I831 PolarHBondContact O-N 2.71Å |
| 828 | S | 94.4 | Very high | 95 | Very high | 54 Ų | 54 | 93.4 Ų | 93.4 | 38% | 0.378 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 174.4 | 80.5 | 0 | 0 | 0 | 0 | 112.2 | W824 T825 A832 | W824-S828 WeakPolarHBondContact O-CB 3.46Å; W824-S828 PolarHBondContact O-N 3.37Å; T825-S828 PolarHBondContact O-N 3.06Å; T825-S828 PolarHBondContact O-OG 3.13Å; S828-A832 VanDerWaalsContact O-CB 3.31Å; S828-A832 WeakPolarHBondContact O-CB 3.42Å; S828-A832 PolarHBondContact O-N 3.32Å |
| 829 | E | 96.4 | Very high | 95.6 | Very high | 123 Ų | 123 | 91 Ų | 91 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.9 | -42.5 | 172.3 | -172.1 | -179.2 | 166.8 | 0 | 0 | 111.2 | T825 A826 A832 R833 | T825-E829 PolarHBondContact O-N 3.35Å; A826-E829 PolarHBondContact O-N 2.61Å; E829-A832 PolarHBondContact O-N 3.34Å; E829-R833 WeakPolarHBondContact O-CG 3.27Å; E829-R833 PolarHBondContact O-N 3.13Å |
| 830 | E | 97 | Very high | 96.1 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 38% | 0.379 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.9 | -167.3 | 64.4 | -133 | 0 | 0 | 111.3 | A826 H827 A832 R833 I834 | A826-E830 WeakPolarHBondContact O-CB 3.44Å; A826-E830 PolarHBondContact O-N 3.27Å; H827-E830 WeakPolarHBondContact O-CB 3.34Å; H827-E830 PolarHBondContact O-N 3.34Å; E830-A832 VanDerWaalsContact C-N 3.32Å; E830-A832 PolarHBondContact O-N 3.36Å; E830-R833 PolarHBondContact O-N 3.43Å; E830-R833 IonicContact OE1-CZ 2.84Å; E830-R833 IonicContact OE1-NH1 3.6Å; E830-R833 IonicContact OE1-NH2 2.87Å; E830-R833 PolarHBondContact OE1-NH2 3.02Å; E830-R833 IonicContact OE2-CZ 3.93Å; E830-R833 IonicContact OE2-NH2 2.98Å; E830-R833 PolarHBondContact OE2-NH2 3.11Å; E830-I834 HydrophobicContact CG-CD1 3.97Å; E830-I834 WeakPolarHBondContact O-CB 3.34Å; E830-I834 VanDerWaalsContact O-CG1 3.29Å; E830-I834 WeakPolarHBondContact O-CG1 3.37Å; E830-I834 PolarHBondContact O-N 2.97Å |
| 831 | I | 96.6 | Very high | 96.4 | Very high | 84 Ų | 84 | 89.7 Ų | 89.7 | 43% | 0.431 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 175.3 | -69.2 | 165 | 0 | 0 | 0 | 110.8 | H827 I834 S835 | H827-I831 VanDerWaalsContact O-CG1 3.31Å; H827-I831 WeakPolarHBondContact O-CG1 3.36Å; H827-I831 PolarHBondContact O-N 2.71Å; I831-I834 PolarHBondContact O-N 3.18Å; I831-S835 VanDerWaalsContact O-CB 3.26Å; I831-S835 WeakPolarHBondContact O-CB 3.2Å; I831-S835 PolarHBondContact O-N 3.26Å; I831-S835 PolarHBondContact O-OG 3.28Å |
| 832 | A | 97.3 | Very high | 96.7 | Very high | 58 Ų | 58 | 90.8 Ų | 90.8 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S828 E829 E830 S835 Q836 | S828-A832 VanDerWaalsContact O-CB 3.31Å; S828-A832 WeakPolarHBondContact O-CB 3.42Å; S828-A832 PolarHBondContact O-N 3.32Å; E829-A832 PolarHBondContact O-N 3.34Å; E830-A832 VanDerWaalsContact C-N 3.32Å; E830-A832 PolarHBondContact O-N 3.36Å; A832-S835 PolarHBondContact O-N 2.91Å; A832-Q836 WeakPolarHBondContact O-CB 3.29Å; A832-Q836 PolarHBondContact O-N 2.99Å |
| 833 | R | 97.4 | Very high | 96.8 | Very high | 109 Ų | 109 | 88.2 Ų | 88.2 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -46 | 174.8 | -68.2 | -164 | -59.2 | 90.9 | -5.7 | 112.2 | E829 E830 S835 Q836 D837 | E829-R833 WeakPolarHBondContact O-CG 3.27Å; E829-R833 PolarHBondContact O-N 3.13Å; E830-R833 PolarHBondContact O-N 3.43Å; E830-R833 IonicContact OE1-CZ 2.84Å; E830-R833 IonicContact OE1-NH1 3.6Å; E830-R833 IonicContact OE1-NH2 2.87Å; E830-R833 PolarHBondContact OE1-NH2 3.02Å; E830-R833 IonicContact OE2-CZ 3.93Å; E830-R833 IonicContact OE2-NH2 2.98Å; E830-R833 PolarHBondContact OE2-NH2 3.11Å; R833-S835 VanDerWaalsContact C-N 3.28Å; R833-S835 PolarHBondContact O-N 3.41Å; R833-Q836 WeakPolarHBondContact O-CB 3.26Å; R833-Q836 PolarHBondContact O-N 2.87Å; R833-Q836 VanDerWaalsContact O-N 3.1Å; R833-D837 PolarHBondContact O-N 3.49Å |
| 834 | I | 97.8 | Very high | 96.8 | Very high | 93 Ų | 93 | 87.8 Ų | 87.8 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 176.3 | -68.1 | 166.8 | 0 | 0 | 0 | 110.3 | E830 I831 Q836 D837 L838 | E830-I834 HydrophobicContact CG-CD1 3.97Å; E830-I834 WeakPolarHBondContact O-CB 3.34Å; E830-I834 VanDerWaalsContact O-CG1 3.29Å; E830-I834 WeakPolarHBondContact O-CG1 3.37Å; E830-I834 PolarHBondContact O-N 2.97Å; I831-I834 PolarHBondContact O-N 3.18Å; I834-Q836 VanDerWaalsContact C-N 3.34Å; I834-Q836 PolarHBondContact O-N 2.9Å; I834-D837 PolarHBondContact O-N 3.44Å; I834-L838 VanDerWaalsContact O-CB 3.32Å; I834-L838 WeakPolarHBondContact O-CB 3.29Å; I834-L838 PolarHBondContact O-N 3.14Å |
| 835 | S | 97.1 | Very high | 96.9 | Very high | 67 Ų | 67 | 84.3 Ų | 84.3 | 47% | 0.469 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 175 | -57 | 0 | 0 | 0 | 0 | 112.1 | I831 A832 R833 A839 | I831-S835 VanDerWaalsContact O-CB 3.26Å; I831-S835 WeakPolarHBondContact O-CB 3.2Å; I831-S835 PolarHBondContact O-N 3.26Å; I831-S835 PolarHBondContact O-OG 3.28Å; A832-S835 PolarHBondContact O-N 2.91Å; R833-S835 VanDerWaalsContact C-N 3.28Å; R833-S835 PolarHBondContact O-N 3.41Å; S835-A839 VanDerWaalsContact O-CB 3.31Å; S835-A839 WeakPolarHBondContact O-CB 3.48Å; S835-A839 PolarHBondContact O-N 2.87Å |
| 836 | Q | 97.8 | Very high | 97 | Very high | 118 Ų | 118 | 83 Ų | 83 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.6 | -39.3 | 176.5 | -157.7 | -158.1 | 48.3 | 0 | 0 | 112.2 | A832 R833 I834 A839 K840 | A832-Q836 WeakPolarHBondContact O-CB 3.29Å; A832-Q836 PolarHBondContact O-N 2.99Å; R833-Q836 WeakPolarHBondContact O-CB 3.26Å; R833-Q836 PolarHBondContact O-N 2.87Å; R833-Q836 VanDerWaalsContact O-N 3.1Å; I834-Q836 VanDerWaalsContact C-N 3.34Å; I834-Q836 PolarHBondContact O-N 2.9Å; Q836-A839 PolarHBondContact O-N 2.73Å; Q836-K840 WeakPolarHBondContact O-CE 3.38Å; Q836-K840 VanDerWaalsContact O-CG 3.3Å; Q836-K840 WeakPolarHBondContact O-CG 3.49Å; Q836-K840 PolarHBondContact O-N 2.94Å; Q836-K840 VanDerWaalsContact OE1-CE 3.29Å |
| 837 | D | 98 | Very high | 96.8 | Very high | 75 Ų | 75 | 87.8 Ų | 87.8 | 40% | 0.401 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.4 | -42.9 | 175.3 | -75.8 | -19.2 | 0 | 0 | 0 | 111.2 | R833 I834 A839 K840 D841 | R833-D837 PolarHBondContact O-N 3.49Å; I834-D837 PolarHBondContact O-N 3.44Å; D837-A839 VanDerWaalsContact C-N 3.28Å; D837-A839 PolarHBondContact O-N 3.26Å; D837-K840 WeakPolarHBondContact O-CA 3.5Å; D837-K840 WeakPolarHBondContact O-CB 3.27Å; D837-K840 PolarHBondContact O-N 2.84Å; D837-K840 IonicContact OD1-NZ 3.29Å; D837-K840 PolarHBondContact OD1-NZ 2.93Å; D837-D841 PolarHBondContact O-N 3.47Å |
| 838 | L | 98.2 | Very high | 96.7 | Very high | 102 Ų | 102 | 88.1 Ų | 88.1 | 53% | 0.534 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 172.6 | -175.3 | 145.9 | 0 | 0 | 0 | 112.1 | I834 D841 L842 | I834-L838 VanDerWaalsContact O-CB 3.32Å; I834-L838 WeakPolarHBondContact O-CB 3.29Å; I834-L838 PolarHBondContact O-N 3.14Å; L838-D841 PolarHBondContact O-N 3.16Å; L838-L842 HydrophobicContact CD2-CD1 3.64Å; L838-L842 HydrophobicContact CD2-CG 4.19Å; L838-L842 WeakPolarHBondContact O-CB 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.35Å; L838-L842 PolarHBondContact O-N 2.88Å |
| 839 | A | 97.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 90.3 Ų | 90.3 | 45% | 0.446 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.9 | -33 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | S835 Q836 D837 A843 | S835-A839 VanDerWaalsContact O-CB 3.31Å; S835-A839 WeakPolarHBondContact O-CB 3.48Å; S835-A839 PolarHBondContact O-N 2.87Å; Q836-A839 PolarHBondContact O-N 2.73Å; D837-A839 VanDerWaalsContact C-N 3.28Å; D837-A839 PolarHBondContact O-N 3.26Å; A839-A843 VanDerWaalsContact O-CB 3.32Å; A839-A843 WeakPolarHBondContact O-CB 3.21Å; A839-A843 PolarHBondContact O-N 3.18Å |
| 840 | K | 97.7 | Very high | 96.3 | Very high | 88 Ų | 88 | 91 Ų | 91 | 38% | 0.383 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 171.3 | -67 | 161 | -151.7 | 162 | 0 | 110.5 | Q836 D837 L842 A843 I844 | Q836-K840 WeakPolarHBondContact O-CE 3.38Å; Q836-K840 VanDerWaalsContact O-CG 3.3Å; Q836-K840 WeakPolarHBondContact O-CG 3.49Å; Q836-K840 PolarHBondContact O-N 2.94Å; Q836-K840 VanDerWaalsContact OE1-CE 3.29Å; D837-K840 WeakPolarHBondContact O-CA 3.5Å; D837-K840 WeakPolarHBondContact O-CB 3.27Å; D837-K840 PolarHBondContact O-N 2.84Å; D837-K840 IonicContact OD1-NZ 3.29Å; D837-K840 PolarHBondContact OD1-NZ 2.93Å; K840-L842 PolarHBondContact O-N 2.74Å; K840-A843 CarbonylContact O-C 3.55Å; K840-A843 PolarHBondContact O-N 2.84Å; K840-A843 VanDerWaalsContact O-N 3.11Å; K840-I844 VanDerWaalsContact O-CG1 3.27Å; K840-I844 WeakPolarHBondContact O-CG1 3.42Å; K840-I844 PolarHBondContact O-N 3.16Å |
| 841 | D | 98.3 | Very high | 95.8 | Very high | 105 Ų | 105 | 92.2 Ų | 92.2 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | -180 | -72.4 | -11.6 | 0 | 0 | 0 | 111.5 | D837 L838 A843 I844 L845 | D837-D841 PolarHBondContact O-N 3.47Å; L838-D841 PolarHBondContact O-N 3.16Å; D841-A843 PolarHBondContact O-N 3.04Å; D841-I844 PolarHBondContact O-N 3.44Å; D841-L845 VanDerWaalsContact O-CB 3.29Å; D841-L845 WeakPolarHBondContact O-CB 3.18Å; D841-L845 PolarHBondContact O-N 3.4Å |
| 842 | L | 97.7 | Very high | 95.1 | Very high | 101 Ų | 101 | 93.9 Ų | 93.9 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 171.2 | -73.1 | 178.2 | 0 | 0 | 0 | 112.5 | L838 K840 A846 | L838-L842 HydrophobicContact CD2-CD1 3.64Å; L838-L842 HydrophobicContact CD2-CG 4.19Å; L838-L842 WeakPolarHBondContact O-CB 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.35Å; L838-L842 PolarHBondContact O-N 2.88Å; K840-L842 PolarHBondContact O-N 2.74Å; L842-A846 WeakPolarHBondContact O-CB 3.32Å; L842-A846 PolarHBondContact O-N 3.49Å |
| 843 | A | 95.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 94 Ų | 94 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.9 | -29.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A839 K840 D841 R847 | A839-A843 VanDerWaalsContact O-CB 3.32Å; A839-A843 WeakPolarHBondContact O-CB 3.21Å; A839-A843 PolarHBondContact O-N 3.18Å; K840-A843 CarbonylContact O-C 3.55Å; K840-A843 PolarHBondContact O-N 2.84Å; K840-A843 VanDerWaalsContact O-N 3.11Å; D841-A843 PolarHBondContact O-N 3.04Å; A843-R847 WeakPolarHBondContact O-CB 3.32Å; A843-R847 PolarHBondContact O-N 3.32Å; A843-R847 VanDerWaalsContact O-N 3.16Å |
| 844 | I | 95.9 | Very high | 92 | Very high | 91 Ų | 91 | 89.9 Ų | 89.9 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71 | -49.2 | 171.5 | -69.8 | 162 | 0 | 0 | 0 | 109.4 | K840 D841 A846 R847 E848 | K840-I844 VanDerWaalsContact O-CG1 3.27Å; K840-I844 WeakPolarHBondContact O-CG1 3.42Å; K840-I844 PolarHBondContact O-N 3.16Å; D841-I844 PolarHBondContact O-N 3.44Å; I844-A846 PolarHBondContact O-N 3.4Å; I844-R847 CarbonylContact O-C 3.17Å; I844-R847 WeakPolarHBondContact O-CA 3.4Å; I844-R847 WeakPolarHBondContact O-CB 3.32Å; I844-R847 PolarHBondContact O-N 3.12Å; I844-R847 VanDerWaalsContact O-N 3.11Å; I844-E848 PolarHBondContact O-N 3.28Å |
| 845 | L | 96.5 | Very high | 90 | Very high | 85 Ų | 85 | 93 Ų | 93 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.7 | 178.7 | 61.8 | 0 | 0 | 0 | 111.9 | D841 R847 E848 I849 | D841-L845 VanDerWaalsContact O-CB 3.29Å; D841-L845 WeakPolarHBondContact O-CB 3.18Å; D841-L845 PolarHBondContact O-N 3.4Å; L845-R847 VanDerWaalsContact C-N 3.29Å; L845-R847 PolarHBondContact O-N 3Å; L845-E848 PolarHBondContact O-N 2.9Å; L845-I849 HydrophobicContact CD1-CD1 3.99Å; L845-I849 HydrophobicContact CD1-CG1 4.22Å; L845-I849 HydrophobicContact CG-CD1 3.88Å; L845-I849 WeakPolarHBondContact O-CB 3.47Å; L845-I849 VanDerWaalsContact O-CG1 3.23Å; L845-I849 WeakPolarHBondContact O-CG1 3.37Å; L845-I849 PolarHBondContact O-N 3.49Å |
| 846 | A | 94.9 | Very high | 88 | Confident | 45 Ų | 45 | 96.7 Ų | 96.7 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L842 I844 H850 | L842-A846 WeakPolarHBondContact O-CB 3.32Å; L842-A846 PolarHBondContact O-N 3.49Å; I844-A846 PolarHBondContact O-N 3.4Å; A846-H850 WeakPolarHBondContact O-CB 3.32Å; A846-H850 PolarHBondContact O-CD2 2.79Å; A846-H850 PolarHBondContact O-N 2.86Å |
| 847 | R | 93.5 | Very high | 86 | Confident | 153 Ų | 153 | 97.2 Ų | 97.2 | 58% | 0.577 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -45 | 173.7 | -170.2 | 178.2 | -58.5 | 128.6 | 12.6 | 112 | A843 I844 L845 I849 H850 D851 | A843-R847 WeakPolarHBondContact O-CB 3.32Å; A843-R847 PolarHBondContact O-N 3.32Å; A843-R847 VanDerWaalsContact O-N 3.16Å; I844-R847 CarbonylContact O-C 3.17Å; I844-R847 WeakPolarHBondContact O-CA 3.4Å; I844-R847 WeakPolarHBondContact O-CB 3.32Å; I844-R847 PolarHBondContact O-N 3.12Å; I844-R847 VanDerWaalsContact O-N 3.11Å; L845-R847 VanDerWaalsContact C-N 3.29Å; L845-R847 PolarHBondContact O-N 3Å; R847-I849 VanDerWaalsContact C-N 3.32Å; R847-I849 PolarHBondContact O-N 3.42Å; R847-H850 CarbonylContact O-C 3.54Å; R847-H850 WeakPolarHBondContact O-CA 3.3Å; R847-H850 PolarHBondContact O-N 3.04Å; R847-D851 WeakPolarHBondContact O-CB 3.47Å; R847-D851 PolarHBondContact O-N 3.11Å |
| 848 | E | 94.7 | Very high | 83.7 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 177.1 | -174.7 | 175 | -175.7 | 0 | 0 | 111.4 | I844 L845 D851 V852 | I844-E848 PolarHBondContact O-N 3.28Å; L845-E848 PolarHBondContact O-N 2.9Å; E848-D851 PolarHBondContact O-N 3.06Å; E848-V852 HydrophobicContact CG-CG2 4.48Å; E848-V852 VanDerWaalsContact O-CB 3.3Å; E848-V852 WeakPolarHBondContact O-CB 3.34Å; E848-V852 VanDerWaalsContact O-CG2 3.24Å; E848-V852 WeakPolarHBondContact O-CG2 3.31Å; E848-V852 PolarHBondContact O-N 2.89Å |
| 849 | I | 91.1 | Very high | 81.1 | Confident | 99 Ų | 99 | 99.5 Ų | 99.5 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 171.8 | -69.1 | 166.9 | 0 | 0 | 0 | 110.8 | L845 R847 A853 | L845-I849 HydrophobicContact CD1-CD1 3.99Å; L845-I849 HydrophobicContact CD1-CG1 4.22Å; L845-I849 HydrophobicContact CG-CD1 3.88Å; L845-I849 WeakPolarHBondContact O-CB 3.47Å; L845-I849 VanDerWaalsContact O-CG1 3.23Å; L845-I849 WeakPolarHBondContact O-CG1 3.37Å; L845-I849 PolarHBondContact O-N 3.49Å; R847-I849 VanDerWaalsContact C-N 3.32Å; R847-I849 PolarHBondContact O-N 3.42Å; I849-A853 WeakPolarHBondContact O-CB 3.24Å; I849-A853 PolarHBondContact O-N 2.64Å |
| 850 | H | 90.1 | Very high | 78.8 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.6 | -32 | 175.3 | -87.3 | -66 | 0 | 0 | 0 | 113.9 | A846 R847 G854 | A846-H850 WeakPolarHBondContact O-CB 3.32Å; A846-H850 PolarHBondContact O-CD2 2.79Å; A846-H850 PolarHBondContact O-N 2.86Å; R847-H850 CarbonylContact O-C 3.54Å; R847-H850 WeakPolarHBondContact O-CA 3.3Å; R847-H850 PolarHBondContact O-N 3.04Å; H850-G854 WeakPolarHBondContact O-CA 3.36Å; H850-G854 PolarHBondContact O-N 3.01Å |
| 851 | D | 86.4 | Confident | 76.3 | Confident | 108 Ų | 108 | 103 Ų | 103 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.2 | -41.1 | 176.6 | -67.3 | -21.8 | 0 | 0 | 0 | 109.9 | R847 E848 | R847-D851 WeakPolarHBondContact O-CB 3.47Å; R847-D851 PolarHBondContact O-N 3.11Å; E848-D851 PolarHBondContact O-N 3.06Å |
| 852 | V | 82 | Confident | 73.6 | Confident | 118 Ų | 118 | 104.2 Ų | 104.2 | 72% | 0.715 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -75.2 | -34.8 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 113 | E848 | E848-V852 HydrophobicContact CG-CG2 4.48Å; E848-V852 VanDerWaalsContact O-CB 3.3Å; E848-V852 WeakPolarHBondContact O-CB 3.34Å; E848-V852 VanDerWaalsContact O-CG2 3.24Å; E848-V852 WeakPolarHBondContact O-CG2 3.31Å; E848-V852 PolarHBondContact O-N 2.89Å |
| 853 | A | 72.4 | Confident | 70.8 | Confident | 60 Ų | 60 | 102.8 Ų | 102.8 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -99.9 | -17.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I849 I856 | I849-A853 WeakPolarHBondContact O-CB 3.24Å; I849-A853 PolarHBondContact O-N 2.64Å; A853-I856 WeakPolarHBondContact O-CG1 3.39Å |
| 854 | G | 59.1 | Low | 67.9 | Low | 23 Ų | 23 | 107.1 Ų | 107.1 | 24% | 0.237 | 63% | 0.629 | C | S | . | * | H | α-helix | trans | -99.2 | -2.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H850 I856 D857 | H850-G854 WeakPolarHBondContact O-CA 3.36Å; H850-G854 PolarHBondContact O-N 3.01Å; G854-I856 PolarHBondContact O-N 3.23Å; G854-D857 PolarHBondContact O-N 3.11Å; G854-D857 VanDerWaalsContact O-N 3.14Å |
| 855 | E | 54.8 | Low | 64.9 | Low | 159 Ų | 159 | 107.3 Ų | 107.3 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -18.5 | 173.7 | -158.2 | 176.3 | -140.1 | 0 | 0 | 112.2 | D857 | E855-D857 VanDerWaalsContact C-N 3.34Å; E855-D857 PolarHBondContact O-N 2.77Å |
| 856 | I | 55.9 | Low | 62.2 | Low | 144 Ų | 144 | 109.4 Ų | 109.4 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -22.7 | 175.4 | 63.1 | 179.7 | 0 | 0 | 0 | 115.2 | A853 G854 | A853-I856 WeakPolarHBondContact O-CG1 3.39Å; G854-I856 PolarHBondContact O-N 3.23Å |
| 857 | D | 55.5 | Low | 59.1 | Low | 130 Ų | 130 | 112 Ų | 112 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -19.3 | -174.9 | -140.8 | 7.2 | 0 | 0 | 0 | 112.7 | G854 E855 V859 S860 | G854-D857 PolarHBondContact O-N 3.11Å; G854-D857 VanDerWaalsContact O-N 3.14Å; E855-D857 VanDerWaalsContact C-N 3.34Å; E855-D857 PolarHBondContact O-N 2.77Å; D857-V859 PolarHBondContact O-N 3.33Å; D857-V859 VanDerWaalsContact O-N 3.12Å; D857-S860 PolarHBondContact O-N 3.26Å |
| 858 | S | 48.9 | Very low | 56.3 | Low | 98 Ų | 98 | 110.3 Ų | 110.3 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -68.7 | -9 | -179.2 | -65.3 | 0 | 0 | 0 | 0 | 114.8 | S860 | S858-S860 PolarHBondContact O-N 3.01Š|
| 859 | V | 43.4 | Very low | 53.4 | Low | 126 Ų | 126 | 110.8 Ų | 110.8 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -72.3 | -7.1 | 177 | -92.5 | 0 | 0 | 0 | 0 | 114.5 | D857 | D857-V859 PolarHBondContact O-N 3.33Å; D857-V859 VanDerWaalsContact O-N 3.12Å |
| 860 | S | 49.6 | Very low | 50.7 | Low | 97 Ų | 97 | 112 Ų | 112 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -103.9 | 38.4 | -177.1 | -66.8 | 0 | 0 | 0 | 0 | 115.6 | D857 S858 | D857-S860 PolarHBondContact O-N 3.26Å; S858-S860 PolarHBondContact O-N 3.01Å |
| 861 | S | 46.4 | Very low | 47.8 | Very low | 119 Ų | 119 | 110.3 Ų | 110.3 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -161 | 64.5 | 163.8 | -88.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 862 | S | 41.5 | Very low | 45.2 | Very low | 130 Ų | 130 | 111 Ų | 111 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | | | trans | -170.5 | 102.7 | 143.9 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 863 | G | 38.8 | Very low | 42.7 | Very low | 71 Ų | 71 | 110.3 Ų | 110.3 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | | | trans | -159.9 | 7.4 | -162.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 864 | T | 34.1 | Very low | 40.7 | Very low | 141 Ų | 141 | 111.4 Ų | 111.4 | 87% | 0.865 | 74% | 0.735 | S | S | * | * | | | trans | -158.9 | 115.6 | 164.1 | -16.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 865 | A | 32.6 | Very low | 39.5 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -106.7 | 132.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 866 | P | 40.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 115.5 Ų | 115.5 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -83.1 | 132.8 | -173.5 | 31.5 | -33.7 | 0 | 0 | 0 | 111.8 | | |
| 867 | S | 28.9 | Very low | 37.8 | Very low | 101 Ų | 101 | 114.5 Ų | 114.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -141.5 | 101.9 | 159.9 | -160.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 868 | T | 34.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | trans | 65.2 | 132.1 | 135.6 | 57.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 869 | T | 35.4 | Very low | 35.7 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | 89 | 98.9 | 148.6 | 49.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 870 | V | 32.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 110.2 Ų | 110.2 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | | 79.2 | 106.2 | 121 | 176.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 871 | S | 29.3 | Very low | 34.3 | Very low | 102 Ų | 102 | 113 Ų | 113 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | 69.1 | 146.4 | 141.3 | -62.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 872 | T | 32.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 113.4 Ų | 113.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | cis | -164.5 | 140.6 | -8.2 | 16.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 873 | A | 29.7 | Very low | 33.3 | Very low | 103 Ų | 103 | 112.6 Ų | 112.6 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | 60.9 | 153.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 874 | A | 29.9 | Very low | 33.1 | Very low | 83 Ų | 83 | 119.1 Ų | 119.1 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | cis | -163.7 | -173.6 | -20.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 875 | T | 34.1 | Very low | 33.4 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | | | trans | 61.9 | 96.7 | 163.6 | 58 | 0 | 0 | 0 | 0 | 119.9 | | |
| 876 | T | 34.9 | Very low | 33.6 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | | -78.2 | 159.5 | 128.5 | -6.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 877 | P | 41.2 | Very low | 33.8 | Very low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | | -112.2 | 178.4 | 56.8 | 3 | 21.2 | 0 | 0 | 0 | 112.2 | | |
| 878 | G | 29.8 | Very low | 34 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | cis | 85.5 | 138.4 | 35.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 879 | S | 29.7 | Very low | 34.1 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | | | cis | -169.6 | 164.2 | -6.8 | -172.9 | 0 | 0 | 0 | 0 | 108 | | |
| 880 | A | 31.3 | Very low | 34.3 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | trans | 69.3 | 140.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 881 | I | 32.8 | Very low | 34.5 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | 59.8 | 168.6 | 150.1 | 69 | 164.2 | 0 | 0 | 0 | 118.7 | | |
| 882 | D | 32.8 | Very low | 34.6 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | | | cis | -137 | -178.5 | -5.1 | -145.4 | -42.8 | 0 | 0 | 0 | 111.4 | | |
| 883 | T | 33.7 | Very low | 34.3 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | | | trans | -67.1 | 168.1 | 174.7 | 54.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 884 | R | 34.5 | Very low | 34.5 | Very low | 208 Ų | 208 | 141.4 Ų | 141.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 90.8 | 133 | 148.9 | -109.4 | -178.9 | 108.2 | 175.9 | 0.8 | 118.9 | | |
| 885 | E | 40.7 | Very low | 34.5 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | | | trans | 67.1 | 71.4 | 154.1 | -50.2 | -168.1 | 176 | 0 | 0 | 118.3 | | |
| 886 | E | 36.4 | Very low | 34.8 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -118 | 113.6 | 151.5 | -162.9 | 172.7 | -160.2 | 0 | 0 | 111.2 | | |
| 887 | L | 45.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 58% | 0.581 | 76% | 0.759 | S | S | * | * | | | trans | 25.9 | 90.5 | 161.1 | -75.7 | 67.4 | 0 | 0 | 0 | 118.7 | D889 R890 | L887-D889 HydrophobicContact CB-CB 4.36Å; L887-D889 HydrophobicContact CG-CB 4.46Å; L887-D889 PolarHBondContact O-N 3.26Å; L887-R890 VanDerWaalsContact CD2-NH2 3.26Å |
| 888 | V | 32.9 | Very low | 34.2 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 97% | 0.97 | 76% | 0.762 | S | S | * | * | | | trans | -77.6 | 55.8 | 149.7 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 889 | D | 36.9 | Very low | 34.6 | Very low | 120 Ų | 120 | 150 Ų | 150 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | | | trans | -153.8 | 79.1 | -165.9 | -153.9 | 4.3 | 0 | 0 | 0 | 114.3 | L887 | L887-D889 HydrophobicContact CB-CB 4.36Å; L887-D889 HydrophobicContact CG-CB 4.46Å; L887-D889 PolarHBondContact O-N 3.26Å |
| 890 | R | 38.2 | Very low | 34.8 | Very low | 211 Ų | 211 | 150.8 Ų | 150.8 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -179.7 | 6.2 | 148.2 | -110.1 | 165.4 | -67.8 | -177.8 | 2.8 | 118.4 | L887 | L887-R890 VanDerWaalsContact CD2-NH2 3.26Š|
| 891 | V | 37.4 | Very low | 35.2 | Very low | 139 Ų | 139 | 153 Ų | 153 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -124.9 | 33.9 | -179.3 | -153.8 | 0 | 0 | 0 | 0 | 113 | | |
| 892 | F | 30.7 | Very low | 35.6 | Very low | 212 Ų | 212 | 150.5 Ų | 150.5 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -154.5 | 62.4 | 163.9 | -113.4 | -65.2 | 0 | 0 | 0 | 112.9 | | |
| 893 | D | 26 | Very low | 35.7 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | -151.4 | 177.1 | 149.7 | -146.2 | -21.2 | 0 | 0 | 0 | 110.8 | | |
| 894 | E | 33.8 | Very low | 35.5 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | trans | 66.9 | 66.6 | -177.3 | -157.6 | 158.3 | -148.9 | 0 | 0 | 116.5 | | |
| 895 | S | 31.4 | Very low | 35.3 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | | | trans | -56.9 | 172.5 | 152.5 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 896 | L | 38.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | 85.1 | 119.4 | 172.5 | -52.2 | 161.1 | 0 | 0 | 0 | 115.1 | | |
| 897 | K | 31.8 | Very low | 34.3 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | | | cis | -144.4 | 165.2 | 19.2 | -53.6 | 88.3 | -162.6 | 144.7 | 0 | 107.6 | | |
| 898 | F | 33.7 | Very low | 33.3 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | | | cis | -155.8 | 173.2 | 40.4 | -75.4 | -87.1 | 0 | 0 | 0 | 112.2 | | |
| 899 | R | 36.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | | | trans | -113.4 | 158.4 | 167.4 | -71.4 | 174.5 | 65.2 | -168.2 | -5.7 | 111 | E329 N331 | E329-R899 VanDerWaalsContact CD-NH2 3.28Å; E329-R899 IonicContact OE1-CZ 2.6Å; E329-R899 IonicContact OE1-NH1 3.28Å; E329-R899 IonicContact OE1-NH2 3.05Å; E329-R899 PolarHBondContact OE1-NH2 3.04Å; E329-R899 IonicContact OE2-NH2 2.64Å; E329-R899 PolarHBondContact OE2-NH2 3.46Å; N331-R899 PolarHBondContact ND2-NH2 3.46Å; N331-R899 VanDerWaalsContact ND2-NH2 3.19Å; N331-R899 PolarHBondContact OD1-NE 3.05Å; N331-R899 PolarHBondContact OD1-NH2 3.2Å |
| 900 | K | 35.5 | Very low | 33 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 59% | 0.591 | 74% | 0.741 | S | S | * | * | | | trans | 118.6 | 103.4 | 137 | -135.7 | 88.9 | 177.5 | -171.3 | 0 | 118 | E329 | E329-K900 IonicContact OE2-NZ 3.62Å; E329-K900 PolarHBondContact OE2-NZ 3.2Å |
| 901 | I | 38.8 | Very low | 33.3 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 62% | 0.621 | 74% | 0.739 | S | S | * | * | | | trans | -42.9 | 167.3 | 150.7 | 28.4 | 168.7 | 0 | 0 | 0 | 114.6 | | |
| 902 | P | 40.6 | Very low | 32.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | cis | -151.8 | -173.7 | 33.3 | 46.3 | -26.5 | 0 | 0 | 0 | 119.2 | | |
| 903 | P | 35.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | | | trans | -115 | 158.3 | 138.3 | 37.3 | -29.2 | 0 | 0 | 0 | 112.4 | | |
| 904 | V | 29.3 | Very low | 33 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | | | cis | 88.7 | 105.5 | 9.4 | -177.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 905 | I | 30.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 82% | 0.815 | 72% | 0.724 | S | S | * | * | | | cis | -140.3 | -126.2 | -11.3 | -35.5 | 175.4 | 0 | 0 | 0 | 110.9 | | |
| 906 | S | 28 | Very low | 32.9 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -149.6 | 176.1 | -168.7 | -39.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 907 | S | 27.7 | Very low | 32.8 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | trans | 78.3 | 150.1 | 165 | 88.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 908 | N | 25.7 | Very low | 32.6 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | cis | -136.1 | -175.6 | 10.1 | -114.9 | -80.5 | 0 | 0 | 0 | 109.3 | | |
| 909 | K | 28.9 | Very low | 32.2 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | | | cis | -149.1 | -177.9 | 6.1 | -129.4 | -150.9 | 169 | -171.4 | 0 | 108.4 | | |
| 910 | P | 34.8 | Very low | 31.9 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | | | trans | -97.8 | 167.3 | -168.7 | 39.7 | -38 | 0 | 0 | 0 | 116 | | |
| 911 | P | 43.1 | Very low | 31.7 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | | | trans | -86.3 | 140 | 162.6 | 35 | -31.6 | 0 | 0 | 0 | 112.1 | | |
| 912 | E | 27.3 | Very low | 31.2 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 177.1 | 152.2 | 138.7 | -106.4 | -179.2 | 176.7 | 0 | 0 | 113.9 | | |
| 913 | I | 33.5 | Very low | 30.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | | | trans | 49.2 | 107.2 | 152.5 | -56 | 160.3 | 0 | 0 | 0 | 118.3 | | |
| 914 | N | 28.4 | Very low | 30.4 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | | | | -174.6 | 143 | 119.7 | -103.6 | -60 | 0 | 0 | 0 | 113.5 | | |
| 915 | G | 30.5 | Very low | 30.9 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | trans | 92.2 | 136.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 916 | K | 31.7 | Very low | 30.7 | Very low | 204 Ų | 204 | 137.4 Ų | 137.4 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | | | trans | -93.7 | 179.3 | 153.5 | -45.1 | -175.5 | -179.5 | -177.5 | 0 | 107.8 | | |
| 917 | P | 37.4 | Very low | 30.8 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | cis | -138.9 | -174.8 | -0.8 | 40.5 | -20.1 | 0 | 0 | 0 | 115 | | |
| 918 | V | 27.4 | Very low | 30.9 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | | | trans | 58.4 | 119.6 | 134.3 | 159.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 919 | E | 25.6 | Very low | 31.2 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 86 | 152.2 | 139.2 | -83.6 | 179.8 | 140.1 | 0 | 0 | 126.1 | | |
| 920 | H | 29.8 | Very low | 31.6 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | | | trans | 65.8 | 99 | 152.9 | -60.3 | -18.9 | 0 | 0 | 0 | 122.4 | | |
| 921 | Q | 31.3 | Very low | 31.7 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | | 44.4 | 118 | 100.2 | -170.9 | 91.9 | 66.2 | 0 | 0 | 118.5 | | |
| 922 | P | 28.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | trans | -97.7 | 155.3 | 135.9 | -14.6 | 31.7 | 0 | 0 | 0 | 111.9 | | |
| 923 | R | 26.3 | Very low | 31.9 | Very low | 225 Ų | 225 | 142.3 Ų | 142.3 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | | | trans | -124.9 | 153.9 | 173.1 | -169.7 | 172.5 | 177.1 | 104.5 | -2.3 | 109.4 | | |
| 924 | A | 31.8 | Very low | 32.5 | Very low | 83 Ų | 83 | 148 Ų | 148 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | | | trans | -50 | 163.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 925 | P | 41.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | cis | -145.4 | 174.3 | 29.2 | 44.4 | -26.2 | 0 | 0 | 0 | 117.9 | | |
| 926 | D | 25.1 | Very low | 33.8 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | | -172.7 | 172.6 | 113.9 | -104.3 | -19.3 | 0 | 0 | 0 | 110.5 | | |
| 927 | G | 31 | Very low | 34.4 | Very low | 69 Ų | 69 | 153.2 Ų | 153.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -169.5 | 165.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 928 | R | 30.3 | Very low | 34.8 | Very low | 250 Ų | 250 | 157.2 Ų | 157.2 | 94% | 0.943 | 78% | 0.775 | S | S | * | * | | | trans | -160.4 | 154.7 | 163.5 | -102.4 | 153.8 | -162.8 | -89.5 | -0 | 109.8 | | |
| 929 | E | 31.4 | Very low | 36.2 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | | | trans | -68 | 161.4 | -179.7 | -65.4 | -173.9 | 145.4 | 0 | 0 | 112.6 | R931 | E929-R931 VanDerWaalsContact CD-NE 3.27Å; E929-R931 IonicContact OE1-CZ 3.35Å; E929-R931 IonicContact OE1-NE 2.64Å; E929-R931 PolarHBondContact OE1-NE 3.05Å; E929-R931 IonicContact OE1-NH2 3.09Å; E929-R931 PolarHBondContact OE1-NH2 2.95Å; E929-R931 VanDerWaalsContact OE1-NH2 3.09Å; E929-R931 VanDerWaalsContact OE2-CD 3.25Å; E929-R931 WeakPolarHBondContact OE2-CD 3.31Å; E929-R931 VanDerWaalsContact OE2-CG 3.3Å; E929-R931 WeakPolarHBondContact OE2-CG 3.46Å; E929-R931 IonicContact OE2-CZ 3.87Å; E929-R931 IonicContact OE2-NE 2.74Å; E929-R931 PolarHBondContact OE2-NE 3.45Å |
| 930 | P | 36.3 | Very low | 38.1 | Very low | 127 Ų | 127 | 157.6 Ų | 157.6 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | | -124 | 116.6 | 115.3 | 34 | -31.4 | 0 | 0 | 0 | 113.6 | A932 | P930-A932 PolarHBondContact O-N 2.8Š|
| 931 | R | 36.6 | Very low | 39.8 | Very low | 209 Ų | 209 | 158.1 Ų | 158.1 | 79% | 0.789 | 77% | 0.765 | S | S | * | * | | | trans | -79.4 | 106.2 | 165.7 | -79.5 | 176.1 | -170.9 | -165.5 | 5.5 | 110.8 | E929 | E929-R931 VanDerWaalsContact CD-NE 3.27Å; E929-R931 IonicContact OE1-CZ 3.35Å; E929-R931 IonicContact OE1-NE 2.64Å; E929-R931 PolarHBondContact OE1-NE 3.05Å; E929-R931 IonicContact OE1-NH2 3.09Å; E929-R931 PolarHBondContact OE1-NH2 2.95Å; E929-R931 VanDerWaalsContact OE1-NH2 3.09Å; E929-R931 VanDerWaalsContact OE2-CD 3.25Å; E929-R931 WeakPolarHBondContact OE2-CD 3.31Å; E929-R931 VanDerWaalsContact OE2-CG 3.3Å; E929-R931 WeakPolarHBondContact OE2-CG 3.46Å; E929-R931 IonicContact OE2-CZ 3.87Å; E929-R931 IonicContact OE2-NE 2.74Å; E929-R931 PolarHBondContact OE2-NE 3.45Å |
| 932 | A | 41.9 | Very low | 41.6 | Very low | 91 Ų | 91 | 154.7 Ų | 154.7 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | trans | -146.4 | 10.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | P930 | P930-A932 PolarHBondContact O-N 2.8Š|
| 933 | L | 33.5 | Very low | 43.7 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | | | trans | -152 | 135 | 162 | -151.3 | 62.3 | 0 | 0 | 0 | 115.6 | R935 | L933-R935 PolarHBondContact O-N 3.46Š|
| 934 | R | 45.2 | Very low | 46.2 | Very low | 248 Ų | 248 | 144.3 Ų | 144.3 | 94% | 0.936 | 71% | 0.712 | S | S | * | * | | | trans | -72.6 | 101.8 | 171.6 | -80 | 178 | 159.3 | -161.5 | -3.2 | 111.1 | | |
| 935 | R | 44.2 | Very low | 48.4 | Very low | 214 Ų | 214 | 144.2 Ų | 144.2 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | | | trans | -131.2 | 138.9 | 145.1 | -67.5 | -166.9 | -172.5 | -125.2 | 0.5 | 109.7 | L933 T937 | L933-R935 PolarHBondContact O-N 3.46Å; R935-T937 PolarHBondContact O-N 2.7Å; R935-T937 VanDerWaalsContact O-N 3.16Å |
| 936 | R | 43.9 | Very low | 50.4 | Low | 203 Ų | 203 | 140.1 Ų | 140.1 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | | | trans | -65 | 107.9 | -179.8 | 174.4 | -178.5 | 175.5 | 107.8 | -9.4 | 108.4 | W938 | R936-W938 PolarHBondContact O-N 2.93Š|
| 937 | T | 43.4 | Very low | 53.3 | Low | 136 Ų | 136 | 135.8 Ų | 135.8 | 83% | 0.834 | 65% | 0.654 | S | S | * | * | | | trans | -60.4 | 109.4 | 166 | 47 | 0 | 0 | 0 | 0 | 107.6 | R935 | R935-T937 PolarHBondContact O-N 2.7Å; R935-T937 VanDerWaalsContact O-N 3.16Å |
| 938 | W | 45 | Very low | 56.1 | Low | 194 Ų | 194 | 137.5 Ų | 137.5 | 74% | 0.735 | 65% | 0.646 | S | S | * | * | | | trans | -61.5 | 140 | 171.3 | -83.6 | 91.4 | 0 | 0 | 0 | 109 | R936 R940 | R936-W938 PolarHBondContact O-N 2.93Å; W938-R940 PolarHBondContact O-N 3.32Å |
| 939 | N | 58 | Low | 58.8 | Low | 65 Ų | 65 | 126.5 Ų | 126.5 | 35% | 0.348 | 61% | 0.606 | S | S | . | * | | | trans | -69.2 | 98 | 174.7 | -169.9 | -13.6 | 0 | 0 | 0 | 108.2 | E941 E942 A943 | N939-E941 VanDerWaalsContact C-N 3.33Å; N939-E941 PolarHBondContact O-N 3.1Å; N939-E941 WeakPolarHBondContact OD1-CG 3.47Å; N939-E942 HydrophobicContact CB-CB 4.07Å; N939-E942 HydrophobicContact CB-CG 4.47Å; N939-E942 VanDerWaalsContact ND2-CD 3.29Å; N939-E942 VanDerWaalsContact ND2-CG 3.34Å; N939-E942 WeakPolarHBondContact ND2-CG 3.41Å; N939-E942 PolarHBondContact ND2-OE2 3.46Å; N939-E942 PolarHBondContact O-N 3.47Å; N939-E942 PolarHBondContact OD1-N 2.85Å; N939-A943 VanDerWaalsContact O-CB 3.23Å; N939-A943 WeakPolarHBondContact O-CB 3.29Å; N939-A943 PolarHBondContact O-N 3.45Å |
| 940 | R | 64.6 | Low | 61.5 | Low | 210 Ų | 210 | 125 Ų | 125 | 79% | 0.792 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.5 | -33.5 | -169.3 | -175.2 | 175.9 | 174.4 | 119.2 | -1.5 | 112.1 | W938 V944 | W938-R940 PolarHBondContact O-N 3.32Å; R940-V944 WeakPolarHBondContact O-CB 3.47Å; R940-V944 WeakPolarHBondContact O-CG2 3.49Å; R940-V944 PolarHBondContact O-N 3.49Å |
| 941 | E | 66.6 | Low | 64.1 | Low | 158 Ų | 158 | 124.5 Ų | 124.5 | 74% | 0.738 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.1 | -45.8 | 176.5 | 47.8 | -171.4 | -141.1 | 0 | 0 | 111.7 | N939 V944 L945 | N939-E941 VanDerWaalsContact C-N 3.33Å; N939-E941 PolarHBondContact O-N 3.1Å; N939-E941 WeakPolarHBondContact OD1-CG 3.47Å; E941-V944 PolarHBondContact O-N 2.91Å; E941-L945 WeakPolarHBondContact O-CB 3.5Å; E941-L945 PolarHBondContact O-N 3.41Å |
| 942 | E | 68.4 | Low | 66.7 | Low | 77 Ų | 77 | 116.3 Ų | 116.3 | 36% | 0.36 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -42.2 | 171.7 | -75.8 | -172.2 | 124.5 | 0 | 0 | 112 | N939 V944 L945 D946 S1001 | N939-E942 HydrophobicContact CB-CB 4.07Å; N939-E942 HydrophobicContact CB-CG 4.47Å; N939-E942 VanDerWaalsContact ND2-CD 3.29Å; N939-E942 VanDerWaalsContact ND2-CG 3.34Å; N939-E942 WeakPolarHBondContact ND2-CG 3.41Å; N939-E942 PolarHBondContact ND2-OE2 3.46Å; N939-E942 PolarHBondContact O-N 3.47Å; N939-E942 PolarHBondContact OD1-N 2.85Å; E942-V944 VanDerWaalsContact C-N 3.32Å; E942-V944 PolarHBondContact O-N 2.88Å; E942-L945 PolarHBondContact O-N 3.26Å; E942-D946 WeakPolarHBondContact O-CB 3.5Å; E942-D946 PolarHBondContact O-N 2.9Å; E942-S1001 VanDerWaalsContact OE1-CB 3.23Å; E942-S1001 WeakPolarHBondContact OE1-CB 3.42Å; E942-S1001 PolarHBondContact OE1-OG 3.39Å |
| 943 | A | 73.6 | Confident | 69.2 | Low | 37 Ų | 37 | 113.3 Ų | 113.3 | 31% | 0.306 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -32.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | N939 S947 | N939-A943 VanDerWaalsContact O-CB 3.23Å; N939-A943 WeakPolarHBondContact O-CB 3.29Å; N939-A943 PolarHBondContact O-N 3.45Å; A943-S947 VanDerWaalsContact O-CB 3.29Å; A943-S947 WeakPolarHBondContact O-CB 3.3Å; A943-S947 PolarHBondContact O-N 2.9Å; A943-S947 PolarHBondContact O-OG 2.97Å |
| 944 | V | 77.4 | Confident | 72 | Confident | 93 Ų | 93 | 108.5 Ų | 108.5 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72 | -40.9 | 172.7 | 165.6 | 0 | 0 | 0 | 0 | 110.8 | R940 E941 E942 S947 L948 | R940-V944 WeakPolarHBondContact O-CB 3.47Å; R940-V944 WeakPolarHBondContact O-CG2 3.49Å; R940-V944 PolarHBondContact O-N 3.49Å; E941-V944 PolarHBondContact O-N 2.91Å; E942-V944 VanDerWaalsContact C-N 3.32Å; E942-V944 PolarHBondContact O-N 2.88Å; V944-S947 PolarHBondContact O-N 2.64Å; V944-L948 WeakPolarHBondContact O-CB 3.46Å; V944-L948 PolarHBondContact O-N 2.7Å |
| 945 | L | 79.5 | Confident | 74.3 | Confident | 80 Ų | 80 | 102.4 Ų | 102.4 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.3 | -177.1 | 61.3 | 0 | 0 | 0 | 111.8 | E941 E942 L948 L949 | E941-L945 WeakPolarHBondContact O-CB 3.5Å; E941-L945 PolarHBondContact O-N 3.41Å; E942-L945 PolarHBondContact O-N 3.26Å; L945-L948 PolarHBondContact O-N 3.21Å; L945-L949 HydrophobicContact CG-CD1 4.26Å; L945-L949 VanDerWaalsContact O-CG 3.29Å; L945-L949 WeakPolarHBondContact O-CG 3.41Å; L945-L949 PolarHBondContact O-N 2.85Å |
| 946 | D | 82.8 | Confident | 76.7 | Confident | 26 Ų | 26 | 93 Ų | 93 | 14% | 0.139 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 175.3 | -78.8 | -16.1 | 0 | 0 | 0 | 111.5 | E942 L948 L949 I950 N1002 I1005 | E942-D946 WeakPolarHBondContact O-CB 3.5Å; E942-D946 PolarHBondContact O-N 2.9Å; D946-L948 VanDerWaalsContact C-N 3.31Å; D946-L948 PolarHBondContact O-N 2.86Å; D946-L949 PolarHBondContact O-N 3.16Å; D946-I950 WeakPolarHBondContact O-CB 3.42Å; D946-I950 WeakPolarHBondContact O-CD1 3.31Å; D946-I950 VanDerWaalsContact O-CG1 3.23Å; D946-I950 WeakPolarHBondContact O-CG1 3.33Å; D946-I950 PolarHBondContact O-N 3.07Å; D946-N1002 WeakPolarHBondContact OD1-CB 3.26Å; D946-N1002 PolarHBondContact OD2-ND2 3.41Å; D946-I1005 HydrophobicContact CB-CD1 4.42Å |
| 947 | S | 85.8 | Confident | 79.1 | Confident | 75 Ų | 75 | 84.4 Ų | 84.4 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 172.7 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | A943 V944 I950 H951 | A943-S947 VanDerWaalsContact O-CB 3.29Å; A943-S947 WeakPolarHBondContact O-CB 3.3Å; A943-S947 PolarHBondContact O-N 2.9Å; A943-S947 PolarHBondContact O-OG 2.97Å; V944-S947 PolarHBondContact O-N 2.64Å; S947-I950 PolarHBondContact O-N 3.27Å; S947-H951 WeakPolarHBondContact O-CB 3.24Å; S947-H951 PolarHBondContact O-N 2.65Å |
| 948 | L | 89.5 | Confident | 81.4 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.8 | -36.5 | 175.6 | -177.5 | 61.7 | 0 | 0 | 0 | 112.2 | V944 L945 D946 H951 S952 | V944-L948 WeakPolarHBondContact O-CB 3.46Å; V944-L948 PolarHBondContact O-N 2.7Å; L945-L948 PolarHBondContact O-N 3.21Å; D946-L948 VanDerWaalsContact C-N 3.31Å; D946-L948 PolarHBondContact O-N 2.86Å; L948-H951 PolarHBondContact O-N 3Å; L948-S952 WeakPolarHBondContact O-CB 3.31Å; L948-S952 PolarHBondContact O-N 2.87Å; L948-S952 PolarHBondContact O-OG 3.42Å |
| 949 | L | 87.1 | Confident | 83.7 | Confident | 20 Ų | 20 | 77 Ų | 77 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 173.2 | -70.2 | 166.4 | 0 | 0 | 0 | 111.4 | L945 D946 S952 V953 T1000 I1005 L1009 | L945-L949 HydrophobicContact CG-CD1 4.26Å; L945-L949 VanDerWaalsContact O-CG 3.29Å; L945-L949 WeakPolarHBondContact O-CG 3.41Å; L945-L949 PolarHBondContact O-N 2.85Å; D946-L949 PolarHBondContact O-N 3.16Å; L949-S952 WeakPolarHBondContact O-CB 3.28Å; L949-S952 PolarHBondContact O-N 3.21Å; L949-V953 WeakPolarHBondContact O-CB 3.45Å; L949-V953 WeakPolarHBondContact O-CG2 3.34Å; L949-V953 PolarHBondContact O-N 3.37Å; L949-T1000 HydrophobicContact CD1-CG2 3.81Å; L949-T1000 HydrophobicContact CD2-CG2 4.44Å; L949-I1005 HydrophobicContact CB-CG2 3.79Å; L949-L1009 HydrophobicContact CD2-CD2 3.92Å |
| 950 | I | 87.9 | Confident | 85.4 | Confident | 96 Ų | 96 | 74.6 Ų | 74.6 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.7 | -69.3 | 163.8 | 0 | 0 | 0 | 110.6 | D946 S947 V953 S954 I1005 | D946-I950 WeakPolarHBondContact O-CB 3.42Å; D946-I950 WeakPolarHBondContact O-CD1 3.31Å; D946-I950 VanDerWaalsContact O-CG1 3.23Å; D946-I950 WeakPolarHBondContact O-CG1 3.33Å; D946-I950 PolarHBondContact O-N 3.07Å; S947-I950 PolarHBondContact O-N 3.27Å; I950-V953 PolarHBondContact O-N 2.69Å; I950-S954 WeakPolarHBondContact O-CB 3.4Å; I950-S954 PolarHBondContact O-N 2.83Å; I950-I1005 HydrophobicContact CD1-CD1 4.11Å; I950-I1005 HydrophobicContact CG1-CD1 4.01Å; I950-I1005 HydrophobicContact CG1-CG2 4.17Å |
| 951 | H | 91.5 | Very high | 86.7 | Confident | 117 Ų | 117 | 70.7 Ų | 70.7 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 173.2 | -171.7 | 80.9 | 0 | 0 | 0 | 111.6 | S947 L948 S954 Q955 | S947-H951 WeakPolarHBondContact O-CB 3.24Å; S947-H951 PolarHBondContact O-N 2.65Å; L948-H951 PolarHBondContact O-N 3Å; H951-S954 PolarHBondContact O-N 3.45Å; H951-Q955 WeakPolarHBondContact O-CB 3.4Å; H951-Q955 PolarHBondContact O-N 3.34Å |
| 952 | S | 91.5 | Very high | 87.7 | Confident | 38 Ų | 38 | 69 Ų | 69 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.1 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | L948 L949 L956 | L948-S952 WeakPolarHBondContact O-CB 3.31Å; L948-S952 PolarHBondContact O-N 2.87Å; L948-S952 PolarHBondContact O-OG 3.42Å; L949-S952 WeakPolarHBondContact O-CB 3.28Å; L949-S952 PolarHBondContact O-N 3.21Å; S952-L956 WeakPolarHBondContact O-CB 3.46Å; S952-L956 PolarHBondContact O-N 2.88Å |
| 953 | V | 94.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 173.3 | 162.2 | 0 | 0 | 0 | 0 | 110.6 | L949 I950 L956 S957 I1005 I1008 L1009 L1012 | L949-V953 WeakPolarHBondContact O-CB 3.45Å; L949-V953 WeakPolarHBondContact O-CG2 3.34Å; L949-V953 PolarHBondContact O-N 3.37Å; I950-V953 PolarHBondContact O-N 2.69Å; V953-L956 PolarHBondContact O-N 2.9Å; V953-S957 VanDerWaalsContact O-CB 3.28Å; V953-S957 WeakPolarHBondContact O-CB 3.49Å; V953-S957 PolarHBondContact O-N 3.18Å; V953-I1005 HydrophobicContact CG2-CG2 4.18Å; V953-I1008 HydrophobicContact CG1-CG2 3.76Å; V953-I1008 HydrophobicContact CG2-CG2 4.15Å; V953-L1009 HydrophobicContact CG2-CB 3.75Å; V953-L1009 HydrophobicContact CG2-CD1 3.91Å; V953-L1009 HydrophobicContact CG2-CG 4.36Å; V953-L1012 HydrophobicContact CB-CD1 4.46Å; V953-L1012 HydrophobicContact CG1-CD1 3.87Å |
| 954 | S | 90.8 | Very high | 89.7 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -53 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | I950 H951 L956 S957 T958 | I950-S954 WeakPolarHBondContact O-CB 3.4Å; I950-S954 PolarHBondContact O-N 2.83Å; H951-S954 PolarHBondContact O-N 3.45Å; S954-L956 VanDerWaalsContact C-N 3.32Å; S954-L956 PolarHBondContact O-N 2.86Å; S954-S957 PolarHBondContact O-N 2.83Å; S954-S957 VanDerWaalsContact O-N 3.11Å; S954-S957 PolarHBondContact O-OG 2.95Å; S954-T958 PolarHBondContact O-N 3.24Å; S954-T958 PolarHBondContact O-OG1 2.84Å |
| 955 | Q | 94.8 | Very high | 90.1 | Very high | 121 Ų | 121 | 67.8 Ų | 67.8 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.4 | -40.1 | 178.3 | -173.3 | -173.6 | 19.9 | 0 | 0 | 112.4 | H951 T958 K959 | H951-Q955 WeakPolarHBondContact O-CB 3.4Å; H951-Q955 PolarHBondContact O-N 3.34Å; Q955-T958 PolarHBondContact O-OG1 3.08Å; Q955-K959 WeakPolarHBondContact O-CB 3.5Å; Q955-K959 PolarHBondContact O-N 2.9Å; Q955-K959 VanDerWaalsContact O-N 3.09Å |
| 956 | L | 94.2 | Very high | 90.5 | Very high | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 176 | -176.1 | 54.7 | 0 | 0 | 0 | 111.2 | S952 V953 S954 T958 K959 I960 L1009 L1012 K1013 E1016 | S952-L956 WeakPolarHBondContact O-CB 3.46Å; S952-L956 PolarHBondContact O-N 2.88Å; V953-L956 PolarHBondContact O-N 2.9Å; S954-L956 VanDerWaalsContact C-N 3.32Å; S954-L956 PolarHBondContact O-N 2.86Å; L956-T958 PolarHBondContact O-N 2.98Å; L956-K959 PolarHBondContact O-N 2.88Å; L956-I960 HydrophobicContact CD1-CD1 3.99Å; L956-I960 HydrophobicContact CD1-CG1 4.23Å; L956-I960 HydrophobicContact CG-CD1 3.81Å; L956-I960 HydrophobicContact CG-CG1 4.5Å; L956-I960 WeakPolarHBondContact O-CB 3.3Å; L956-I960 WeakPolarHBondContact O-CD1 3.05Å; L956-I960 VanDerWaalsContact O-CG1 3.25Å; L956-I960 WeakPolarHBondContact O-CG1 2.88Å; L956-I960 PolarHBondContact O-N 3.37Å; L956-L1009 HydrophobicContact CD2-CD1 4.02Å; L956-L1012 HydrophobicContact CD2-CB 3.62Å; L956-L1012 HydrophobicContact CG-CB 3.97Å; L956-K1013 HydrophobicContact CD2-CB 4.33Å; L956-K1013 HydrophobicContact CD2-CG 3.46Å; L956-K1013 VanDerWaalsContact CD2-CG 3.46Å; L956-E1016 HydrophobicContact CD1-CB 4.11Å; L956-E1016 VanDerWaalsContact CD1-CD 3.45Å; L956-E1016 HydrophobicContact CD1-CG 4.21Å; L956-E1016 WeakPolarHBondContact CD1-OE2 3.34Å |
| 957 | S | 94.3 | Very high | 90.8 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.5 | 84.5 | 0 | 0 | 0 | 0 | 112.9 | V953 S954 R961 | V953-S957 VanDerWaalsContact O-CB 3.28Å; V953-S957 WeakPolarHBondContact O-CB 3.49Å; V953-S957 PolarHBondContact O-N 3.18Å; S954-S957 PolarHBondContact O-N 2.83Å; S954-S957 VanDerWaalsContact O-N 3.11Å; S954-S957 PolarHBondContact O-OG 2.95Å; S957-R961 VanDerWaalsContact C-NH1 3.29Å; S957-R961 VanDerWaalsContact CB-NH1 3.32Å; S957-R961 WeakPolarHBondContact O-CG 3.48Å; S957-R961 PolarHBondContact O-N 3.23Å; S957-R961 PolarHBondContact O-NH1 2.97Å; S957-R961 VanDerWaalsContact O-NH1 3.1Å; S957-R961 PolarHBondContact OG-NH1 3.28Å |
| 958 | T | 91.1 | Very high | 90.8 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 31% | 0.307 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 175.2 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | S954 Q955 L956 I960 R961 H962 | S954-T958 PolarHBondContact O-N 3.24Å; S954-T958 PolarHBondContact O-OG1 2.84Å; Q955-T958 PolarHBondContact O-OG1 3.08Å; L956-T958 PolarHBondContact O-N 2.98Å; T958-I960 VanDerWaalsContact C-N 3.32Å; T958-I960 PolarHBondContact O-N 2.82Å; T958-R961 VanDerWaalsContact CG2-NH2 3.28Å; T958-R961 PolarHBondContact O-N 2.86Å; T958-H962 PolarHBondContact O-CD2 3.35Å; T958-H962 PolarHBondContact O-N 3.04Å |
| 959 | K | 94.6 | Very high | 90.4 | Very high | 123 Ų | 123 | 62.5 Ų | 62.5 | 54% | 0.535 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 174.7 | -172.8 | -176.5 | 178.1 | -166.8 | 0 | 112 | Q955 L956 S963 E1016 | Q955-K959 WeakPolarHBondContact O-CB 3.5Å; Q955-K959 PolarHBondContact O-N 2.9Å; Q955-K959 VanDerWaalsContact O-N 3.09Å; L956-K959 PolarHBondContact O-N 2.88Å; K959-S963 VanDerWaalsContact O-CB 3.29Å; K959-S963 WeakPolarHBondContact O-CB 3.36Å; K959-S963 PolarHBondContact O-N 3.45Å; K959-E1016 WeakPolarHBondContact CD-OE1 3.28Å; K959-E1016 WeakPolarHBondContact CE-OE1 3.34Å; K959-E1016 IonicContact NZ-OE1 2.7Å; K959-E1016 PolarHBondContact NZ-OE1 2.9Å |
| 960 | I | 94.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64 | -49.3 | 175.9 | -72 | 162.3 | 0 | 0 | 0 | 110.5 | L956 T958 H962 S963 V964 L1012 V1015 E1016 L1019 | L956-I960 HydrophobicContact CD1-CD1 3.99Å; L956-I960 HydrophobicContact CD1-CG1 4.23Å; L956-I960 HydrophobicContact CG-CD1 3.81Å; L956-I960 HydrophobicContact CG-CG1 4.5Å; L956-I960 WeakPolarHBondContact O-CB 3.3Å; L956-I960 WeakPolarHBondContact O-CD1 3.05Å; L956-I960 VanDerWaalsContact O-CG1 3.25Å; L956-I960 WeakPolarHBondContact O-CG1 2.88Å; L956-I960 PolarHBondContact O-N 3.37Å; T958-I960 VanDerWaalsContact C-N 3.32Å; T958-I960 PolarHBondContact O-N 2.82Å; I960-H962 PolarHBondContact O-N 3.05Å; I960-S963 CarbonylContact O-C 3.56Å; I960-S963 WeakPolarHBondContact O-CA 3.43Å; I960-S963 WeakPolarHBondContact O-CB 3.1Å; I960-S963 PolarHBondContact O-N 2.91Å; I960-V964 HydrophobicContact CG2-CG2 4.27Å; I960-V964 WeakPolarHBondContact O-CG2 3.31Å; I960-V964 PolarHBondContact O-N 3.19Å; I960-L1012 HydrophobicContact CD1-CB 3.9Å; I960-L1012 HydrophobicContact CD1-CD2 3.84Å; I960-L1012 HydrophobicContact CD1-CG 4.44Å; I960-L1012 WeakPolarHBondContact CD1-O 3.4Å; I960-V1015 HydrophobicContact CD1-CB 4.49Å; I960-V1015 HydrophobicContact CD1-CG1 4.38Å; I960-V1015 HydrophobicContact CG2-CG1 3.87Å; I960-E1016 HydrophobicContact CD1-CB 4.26Å; I960-E1016 HydrophobicContact CG1-CB 4.17Å; I960-L1019 HydrophobicContact CG2-CD2 4.1Å |
| 961 | R | 89.9 | Confident | 90 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.5 | -53.8 | 176.7 | -74.1 | -171.1 | -62 | -79.7 | 9.5 | 111.7 | S957 T958 S963 V964 D965 | S957-R961 VanDerWaalsContact C-NH1 3.29Å; S957-R961 VanDerWaalsContact CB-NH1 3.32Å; S957-R961 WeakPolarHBondContact O-CG 3.48Å; S957-R961 PolarHBondContact O-N 3.23Å; S957-R961 PolarHBondContact O-NH1 2.97Å; S957-R961 VanDerWaalsContact O-NH1 3.1Å; S957-R961 PolarHBondContact OG-NH1 3.28Å; T958-R961 VanDerWaalsContact CG2-NH2 3.28Å; T958-R961 PolarHBondContact O-N 2.86Å; R961-S963 PolarHBondContact O-N 3.31Å; R961-S963 VanDerWaalsContact O-N 3.08Å; R961-V964 WeakPolarHBondContact O-CA 3.49Å; R961-V964 WeakPolarHBondContact O-CB 3.47Å; R961-V964 PolarHBondContact O-N 2.74Å; R961-D965 PolarHBondContact O-N 3.49Å; R961-D965 VanDerWaalsContact O-OD2 3.07Å |
| 962 | H | 89.4 | Confident | 89.5 | Confident | 121 Ų | 121 | 61.2 Ų | 61.2 | 56% | 0.56 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.2 | -17.2 | 176.2 | -62.9 | -46 | 0 | 0 | 0 | 114.6 | T958 I960 D965 R966 | T958-H962 PolarHBondContact O-CD2 3.35Å; T958-H962 PolarHBondContact O-N 3.04Å; I960-H962 PolarHBondContact O-N 3.05Å; H962-D965 IonicContact ND1-OD2 3.88Å; H962-R966 WeakPolarHBondContact O-CG 3.47Å; H962-R966 PolarHBondContact O-NE 2.71Å |
| 963 | S | 90.6 | Very high | 89 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -87.6 | -33.2 | 171.8 | -161 | 0 | 0 | 0 | 0 | 112.3 | K959 I960 R961 R966 T967 | K959-S963 VanDerWaalsContact O-CB 3.29Å; K959-S963 WeakPolarHBondContact O-CB 3.36Å; K959-S963 PolarHBondContact O-N 3.45Å; I960-S963 CarbonylContact O-C 3.56Å; I960-S963 WeakPolarHBondContact O-CA 3.43Å; I960-S963 WeakPolarHBondContact O-CB 3.1Å; I960-S963 PolarHBondContact O-N 2.91Å; R961-S963 PolarHBondContact O-N 3.31Å; R961-S963 VanDerWaalsContact O-N 3.08Å; S963-R966 PolarHBondContact OG-NH2 2.81Å; S963-R966 VanDerWaalsContact OG-NH2 3.1Å; S963-T967 VanDerWaalsContact O-CB 3.32Å; S963-T967 WeakPolarHBondContact O-CB 3.47Å; S963-T967 PolarHBondContact O-N 3.03Å; S963-T967 PolarHBondContact O-OG1 3.16Å |
| 964 | V | 92.1 | Very high | 88 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 170 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | I960 R961 R966 T967 A968 L1019 | I960-V964 HydrophobicContact CG2-CG2 4.27Å; I960-V964 WeakPolarHBondContact O-CG2 3.31Å; I960-V964 PolarHBondContact O-N 3.19Å; R961-V964 WeakPolarHBondContact O-CA 3.49Å; R961-V964 WeakPolarHBondContact O-CB 3.47Å; R961-V964 PolarHBondContact O-N 2.74Å; V964-R966 VanDerWaalsContact C-N 3.34Å; V964-R966 PolarHBondContact O-N 3.05Å; V964-T967 PolarHBondContact O-N 3.24Å; V964-T967 VanDerWaalsContact O-N 3.16Å; V964-A968 WeakPolarHBondContact O-CB 3.49Å; V964-A968 PolarHBondContact O-N 2.84Å; V964-L1019 HydrophobicContact CB-CD2 4.48Å; V964-L1019 HydrophobicContact CG2-CD1 4.1Å; V964-L1019 HydrophobicContact CG2-CD2 3.52Å; V964-L1019 HydrophobicContact CG2-CG 4.48Å |
| 965 | D | 86.6 | Confident | 86.9 | Confident | 94 Ų | 94 | 65 Ų | 65 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | -179.6 | -60.8 | -36.1 | 0 | 0 | 0 | 112.2 | R961 H962 G969 | R961-D965 PolarHBondContact O-N 3.49Å; R961-D965 VanDerWaalsContact O-OD2 3.07Å; H962-D965 IonicContact ND1-OD2 3.88Å; D965-G969 PolarHBondContact O-N 2.83Å |
| 966 | R | 87.7 | Confident | 85.4 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 174.2 | -75.5 | -178.3 | -61.4 | 114.6 | 1.4 | 112 | H962 S963 V964 A968 G969 K970 | H962-R966 WeakPolarHBondContact O-CG 3.47Å; H962-R966 PolarHBondContact O-NE 2.71Å; S963-R966 PolarHBondContact OG-NH2 2.81Å; S963-R966 VanDerWaalsContact OG-NH2 3.1Å; V964-R966 VanDerWaalsContact C-N 3.34Å; V964-R966 PolarHBondContact O-N 3.05Å; R966-A968 VanDerWaalsContact C-N 3.34Å; R966-A968 PolarHBondContact O-N 3.39Å; R966-G969 WeakPolarHBondContact O-CA 3.48Å; R966-G969 PolarHBondContact O-N 3.35Å; R966-K970 WeakPolarHBondContact O-CG 3.3Å; R966-K970 PolarHBondContact O-N 3.42Å |
| 967 | T | 89.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.9 | -51.7 | 0 | 0 | 0 | 0 | 111 | S963 V964 G969 K970 I971 L1019 I1022 N1023 V1026 | S963-T967 VanDerWaalsContact O-CB 3.32Å; S963-T967 WeakPolarHBondContact O-CB 3.47Å; S963-T967 PolarHBondContact O-N 3.03Å; S963-T967 PolarHBondContact O-OG1 3.16Å; V964-T967 PolarHBondContact O-N 3.24Å; V964-T967 VanDerWaalsContact O-N 3.16Å; T967-G969 VanDerWaalsContact C-N 3.31Å; T967-G969 PolarHBondContact O-N 3.29Å; T967-K970 PolarHBondContact O-N 2.84Å; T967-I971 HydrophobicContact CG2-CD1 4.02Å; T967-I971 WeakPolarHBondContact O-CB 3.23Å; T967-I971 VanDerWaalsContact O-CG1 3.24Å; T967-I971 WeakPolarHBondContact O-CG1 3.38Å; T967-I971 PolarHBondContact O-N 2.84Å; T967-L1019 HydrophobicContact CG2-CD1 4.35Å; T967-I1022 HydrophobicContact CG2-CG2 3.82Å; T967-N1023 HydrophobicContact CG2-CB 4.49Å; T967-V1026 HydrophobicContact CG2-CG2 4.27Å |
| 968 | A | 84.7 | Confident | 81.5 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.3 | -28.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V964 R966 R972 | V964-A968 WeakPolarHBondContact O-CB 3.49Å; V964-A968 PolarHBondContact O-N 2.84Å; R966-A968 VanDerWaalsContact C-N 3.34Å; R966-A968 PolarHBondContact O-N 3.39Å; A968-R972 WeakPolarHBondContact O-CB 3.41Å; A968-R972 VanDerWaalsContact O-CG 3.24Å; A968-R972 WeakPolarHBondContact O-CG 3.43Å; A968-R972 PolarHBondContact O-N 3.27Å; A968-R972 PolarHBondContact O-NE 2.67Å |
| 969 | G | 80.9 | Confident | 79.7 | Confident | 17 Ų | 17 | 84.9 Ų | 84.9 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.9 | -55.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D965 R966 T967 I971 R972 I973 | D965-G969 PolarHBondContact O-N 2.83Å; R966-G969 WeakPolarHBondContact O-CA 3.48Å; R966-G969 PolarHBondContact O-N 3.35Å; T967-G969 VanDerWaalsContact C-N 3.31Å; T967-G969 PolarHBondContact O-N 3.29Å; G969-I971 PolarHBondContact O-N 2.8Å; G969-R972 PolarHBondContact O-N 2.87Å; G969-I973 WeakPolarHBondContact O-CG1 3.42Å; G969-I973 PolarHBondContact O-N 3.33Å |
| 970 | K | 85.8 | Confident | 78 | Confident | 4 Ų | 4 | 87.9 Ų | 87.9 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 177.2 | -63 | 179.1 | 171.7 | -163.8 | 0 | 112.7 | R966 T967 R972 I973 L974 N1023 V1026 D1027 L1032 D1033 | R966-K970 WeakPolarHBondContact O-CG 3.3Å; R966-K970 PolarHBondContact O-N 3.42Å; T967-K970 PolarHBondContact O-N 2.84Å; K970-R972 PolarHBondContact O-N 3.07Å; K970-I973 WeakPolarHBondContact O-CB 3.48Å; K970-I973 PolarHBondContact O-N 2.69Å; K970-L974 PolarHBondContact O-N 2.98Å; K970-N1023 WeakPolarHBondContact CD-OD1 3.26Å; K970-N1023 VanDerWaalsContact CE-OD1 3.29Å; K970-N1023 WeakPolarHBondContact CE-OD1 3.47Å; K970-N1023 PolarHBondContact NZ-OD1 3.34Å; K970-V1026 HydrophobicContact CB-CG1 3.53Å; K970-V1026 HydrophobicContact CD-CG1 4.18Å; K970-D1027 HydrophobicContact CD-CB 3.81Å; K970-D1027 VanDerWaalsContact CE-OD2 3.29Å; K970-D1027 WeakPolarHBondContact CE-OD2 3.32Å; K970-D1027 IonicContact NZ-OD2 2.63Å; K970-D1027 PolarHBondContact NZ-OD2 3.21Å; K970-L1032 HydrophobicContact CB-CB 4.2Å; K970-L1032 HydrophobicContact CB-CD1 3.98Å; K970-L1032 HydrophobicContact CD-CB 4.14Å; K970-L1032 HydrophobicContact CG-CB 3.79Å; K970-L1032 HydrophobicContact CG-CD1 4.46Å; K970-D1033 WeakPolarHBondContact CE-OD1 3.42Å; K970-D1033 WeakPolarHBondContact CE-OD2 3.28Å; K970-D1033 IonicContact NZ-OD1 2.69Å; K970-D1033 PolarHBondContact NZ-OD1 2.94Å; K970-D1033 IonicContact NZ-OD2 3.89Å; K970-D1033 PolarHBondContact NZ-OD2 3.12Å |
| 971 | I | 82.4 | Confident | 76.4 | Confident | 32 Ų | 32 | 91.8 Ų | 91.8 | 16% | 0.164 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -56 | -49.3 | 175 | -74 | 169.8 | 0 | 0 | 0 | 110.1 | T967 G969 I973 L974 F975 W982 V1026 | T967-I971 HydrophobicContact CG2-CD1 4.02Å; T967-I971 WeakPolarHBondContact O-CB 3.23Å; T967-I971 VanDerWaalsContact O-CG1 3.24Å; T967-I971 WeakPolarHBondContact O-CG1 3.38Å; T967-I971 PolarHBondContact O-N 2.84Å; G969-I971 PolarHBondContact O-N 2.8Å; I971-I973 PolarHBondContact O-N 2.63Å; I971-L974 PolarHBondContact O-N 3.35Å; I971-F975 HydrophobicContact CB-CD2 4.21Å; I971-F975 HydrophobicContact CG1-CD2 4.49Å; I971-F975 HydrophobicContact CG1-CE2 4.49Å; I971-F975 HydrophobicContact CG2-CD2 3.72Å; I971-F975 HydrophobicContact CG2-CE2 4.41Å; I971-F975 WeakPolarHBondContact O-CB 3.4Å; I971-F975 VanDerWaalsContact O-CD2 3.31Å; I971-F975 WeakPolarHBondContact O-CD2 3.32Å; I971-F975 PolarHBondContact O-N 3.13Å; I971-W982 HydrophobicContact CD1-CH2 4.14Å; I971-V1026 HydrophobicContact CD1-CG2 4.03Å; I971-V1026 HydrophobicContact CG1-CG1 3.95Å; I971-V1026 HydrophobicContact CG1-CG2 3.73Å |
| 972 | R | 79.8 | Confident | 74.8 | Confident | 170 Ų | 170 | 92.9 Ų | 92.9 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.8 | -23.1 | 176.2 | -73.6 | 176.4 | -64.5 | 152.7 | -1.5 | 114.3 | A968 G969 K970 | A968-R972 WeakPolarHBondContact O-CB 3.41Å; A968-R972 VanDerWaalsContact O-CG 3.24Å; A968-R972 WeakPolarHBondContact O-CG 3.43Å; A968-R972 PolarHBondContact O-N 3.27Å; A968-R972 PolarHBondContact O-NE 2.67Å; G969-R972 PolarHBondContact O-N 2.87Å; K970-R972 PolarHBondContact O-N 3.07Å |
| 973 | I | 81.3 | Confident | 73.4 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -77.1 | -41.1 | 175.7 | -68.5 | 164 | 0 | 0 | 0 | 111.1 | G969 K970 I971 K976 L1032 | G969-I973 WeakPolarHBondContact O-CG1 3.42Å; G969-I973 PolarHBondContact O-N 3.33Å; K970-I973 WeakPolarHBondContact O-CB 3.48Å; K970-I973 PolarHBondContact O-N 2.69Å; I971-I973 PolarHBondContact O-N 2.63Å; I973-K976 PolarHBondContact O-NZ 3.08Å; I973-K976 VanDerWaalsContact O-NZ 3.16Å; I973-L1032 HydrophobicContact CG2-CD2 3.89Å |
| 974 | L | 73.9 | Confident | 72.4 | Confident | 77 Ų | 77 | 96.7 Ų | 96.7 | 40% | 0.403 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.7 | -57 | 176.9 | -73.3 | 161.4 | 0 | 0 | 0 | 112.8 | K970 I971 K976 V1026 L1032 | K970-L974 PolarHBondContact O-N 2.98Å; I971-L974 PolarHBondContact O-N 3.35Å; L974-K976 PolarHBondContact O-N 2.77Å; L974-V1026 HydrophobicContact CD1-CG1 3.7Å; L974-V1026 VanDerWaalsContact CD1-O 3.27Å; L974-V1026 WeakPolarHBondContact CD1-O 3.38Å; L974-L1032 HydrophobicContact CD1-CD1 3.53Å; L974-L1032 HydrophobicContact CD2-CD1 3.87Å; L974-L1032 HydrophobicContact CG-CD1 3.51Å |
| 975 | F | 66.6 | Low | 71.3 | Confident | 68 Ų | 68 | 95 Ų | 95 | 30% | 0.298 | 45% | 0.447 | S | S | . | . | | | trans | -87.9 | 39.9 | -173.8 | -59.7 | -68.6 | 0 | 0 | 0 | 111.1 | I971 D977 K978 R980 | I971-F975 HydrophobicContact CB-CD2 4.21Å; I971-F975 HydrophobicContact CG1-CD2 4.49Å; I971-F975 HydrophobicContact CG1-CE2 4.49Å; I971-F975 HydrophobicContact CG2-CD2 3.72Å; I971-F975 HydrophobicContact CG2-CE2 4.41Å; I971-F975 WeakPolarHBondContact O-CB 3.4Å; I971-F975 VanDerWaalsContact O-CD2 3.31Å; I971-F975 WeakPolarHBondContact O-CD2 3.32Å; I971-F975 PolarHBondContact O-N 3.13Å; F975-D977 PolarHBondContact O-N 3.11Å; F975-K978 WeakPolarHBondContact CD1-O 3.44Å; F975-R980 HydrophobicContact CE1-CB 3.62Å; F975-R980 HydrophobicContact CE1-CG 3.68Å; F975-R980 HydrophobicContact CZ-CB 3.95Å; F975-R980 HydrophobicContact CZ-CG 4.25Å |
| 976 | K | 63.5 | Low | 70.1 | Confident | 149 Ų | 149 | 95.3 Ų | 95.3 | 65% | 0.648 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -72.4 | -13.4 | 177.5 | -145.5 | 151.5 | 59.2 | -131.4 | 0 | 112 | I973 L974 | I973-K976 PolarHBondContact O-NZ 3.08Å; I973-K976 VanDerWaalsContact O-NZ 3.16Å; L974-K976 PolarHBondContact O-N 2.77Å |
| 977 | D | 51.4 | Low | 68.8 | Low | 142 Ų | 142 | 93.6 Ų | 93.6 | 76% | 0.759 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -148.1 | 143.3 | 152.6 | -84.3 | -56.7 | 0 | 0 | 0 | 109.3 | F975 | F975-D977 PolarHBondContact O-N 3.11Š|
| 978 | K | 55.3 | Low | 67.5 | Low | 177 Ų | 177 | 98.3 Ų | 98.3 | 77% | 0.77 | 47% | 0.471 | S | S | * | . | | | trans | 75.7 | 130 | 170.5 | -56.1 | 171.2 | -175.9 | 177.4 | 0 | 118.4 | F975 | F975-K978 WeakPolarHBondContact CD1-O 3.44Š|
| 979 | D | 54.1 | Low | 66.5 | Low | 159 Ų | 159 | 98.3 Ų | 98.3 | 85% | 0.85 | 47% | 0.466 | S | S | * | . | | | trans | -68.3 | 148 | 179.2 | -46.3 | -91.9 | 0 | 0 | 0 | 113.4 | | |
| 980 | R | 59 | Low | 64.7 | Low | 185 Ų | 185 | 103.4 Ų | 103.4 | 70% | 0.698 | 48% | 0.483 | S | S | * | . | | | trans | -118.6 | 152.6 | 160.2 | -90.4 | -174.9 | 170.4 | 118.5 | -10.5 | 110 | F975 | F975-R980 HydrophobicContact CE1-CB 3.62Å; F975-R980 HydrophobicContact CE1-CG 3.68Å; F975-R980 HydrophobicContact CZ-CB 3.95Å; F975-R980 HydrophobicContact CZ-CG 4.25Å |
| 981 | N | 59.4 | Low | 63.1 | Low | 99 Ų | 99 | 107.8 Ų | 107.8 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | | | trans | -60.8 | 133.4 | -177.3 | -177.5 | -88.6 | 0 | 0 | 0 | 112.3 | D983 E984 | N981-D983 PolarHBondContact ND2-OD2 2.73Å; N981-D983 WeakPolarHBondContact OD1-CB 3.27Å; N981-D983 PolarHBondContact OD1-N 3.12Å; N981-D983 PolarHBondContact OD1-OD2 3.41Å; N981-E984 PolarHBondContact OD1-N 2.82Å |
| 982 | W | 56.8 | Low | 61.3 | Low | 150 Ų | 150 | 111 Ų | 111 | 57% | 0.568 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -94.6 | -20.3 | 179.5 | -75 | 94.2 | 0 | 0 | 0 | 113.5 | I971 E984 I985 E986 | I971-W982 HydrophobicContact CD1-CH2 4.14Å; W982-E984 PolarHBondContact O-N 3.5Å; W982-I985 HydrophobicContact CE3-CD1 4.22Å; W982-I985 WeakPolarHBondContact O-CB 3.44Å; W982-I985 PolarHBondContact O-N 3.37Å; W982-I985 VanDerWaalsContact O-N 3.12Å; W982-E986 PolarHBondContact O-N 3.43Å; W982-E986 VanDerWaalsContact O-N 3.13Å |
| 983 | D | 60.5 | Low | 59.5 | Low | 108 Ų | 108 | 105 Ų | 105 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -36.7 | -170.6 | -49.4 | -60.6 | 0 | 0 | 0 | 112.4 | N981 I985 E986 S987 | N981-D983 PolarHBondContact ND2-OD2 2.73Å; N981-D983 WeakPolarHBondContact OD1-CB 3.27Å; N981-D983 PolarHBondContact OD1-N 3.12Å; N981-D983 PolarHBondContact OD1-OD2 3.41Å; D983-I985 VanDerWaalsContact C-N 3.27Å; D983-I985 PolarHBondContact O-N 2.87Å; D983-E986 PolarHBondContact O-N 2.85Å; D983-S987 PolarHBondContact O-N 3.39Å |
| 984 | E | 68.8 | Low | 57.6 | Low | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -33.3 | 175.9 | -154.7 | -156.6 | 139 | 0 | 0 | 112.1 | N981 W982 K988 | N981-E984 PolarHBondContact OD1-N 2.82Å; W982-E984 PolarHBondContact O-N 3.5Å; E984-K988 PolarHBondContact O-N 3.01Å; E984-K988 IonicContact OE1-NZ 3.76Å; E984-K988 PolarHBondContact OE1-NZ 3.08Å |
| 985 | I | 68.6 | Low | 56.1 | Low | 32 Ų | 32 | 112 Ų | 112 | 16% | 0.164 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -70.5 | -45.7 | 177.7 | -56.6 | 178.3 | 0 | 0 | 0 | 109.5 | W982 D983 S987 K988 L989 I1022 M1025 | W982-I985 HydrophobicContact CE3-CD1 4.22Å; W982-I985 WeakPolarHBondContact O-CB 3.44Å; W982-I985 PolarHBondContact O-N 3.37Å; W982-I985 VanDerWaalsContact O-N 3.12Å; D983-I985 VanDerWaalsContact C-N 3.27Å; D983-I985 PolarHBondContact O-N 2.87Å; I985-S987 VanDerWaalsContact C-N 3.3Å; I985-S987 PolarHBondContact O-N 2.9Å; I985-K988 PolarHBondContact O-N 3.34Å; I985-L989 HydrophobicContact CG2-CD1 4.26Å; I985-L989 WeakPolarHBondContact O-CB 3.33Å; I985-L989 PolarHBondContact O-N 3.35Å; I985-I1022 HydrophobicContact CG2-CD1 4.23Å; I985-I1022 HydrophobicContact CG2-CG1 3.8Å; I985-M1025 HydrophobicContact CG1-CE 3.97Å |
| 986 | E | 62.4 | Low | 55.2 | Low | 100 Ų | 100 | 114.2 Ų | 114.2 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.3 | -38.3 | 175.4 | -79.4 | -151.7 | -172.6 | 0 | 0 | 113.2 | W982 D983 L989 K990 | W982-E986 PolarHBondContact O-N 3.43Å; W982-E986 VanDerWaalsContact O-N 3.13Å; D983-E986 PolarHBondContact O-N 2.85Å; E986-L989 WeakPolarHBondContact O-CB 3.31Å; E986-L989 PolarHBondContact O-N 2.87Å; E986-K990 WeakPolarHBondContact O-CD 3.28Å; E986-K990 VanDerWaalsContact O-CG 3.26Å; E986-K990 WeakPolarHBondContact O-CG 3.1Å; E986-K990 PolarHBondContact O-N 3.35Å; E986-K990 VanDerWaalsContact O-N 3.13Å; E986-K990 WeakPolarHBondContact OE2-CE 3.44Å; E986-K990 IonicContact OE2-NZ 2.64Å; E986-K990 PolarHBondContact OE2-NZ 2.87Å |
| 987 | S | 59.7 | Low | 54.2 | Low | 80 Ų | 80 | 114.4 Ų | 114.4 | 56% | 0.559 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.1 | -44.9 | 179.2 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | D983 I985 K990 S991 | D983-S987 PolarHBondContact O-N 3.39Å; I985-S987 VanDerWaalsContact C-N 3.3Å; I985-S987 PolarHBondContact O-N 2.9Å; S987-K990 PolarHBondContact O-N 3.2Å; S987-S991 PolarHBondContact O-OG 3.27Å |
| 988 | K | 61.9 | Low | 54.1 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69 | -35.1 | 174.8 | -72.8 | 167.7 | 176.1 | 166.5 | 0 | 112.1 | E984 I985 K990 S991 | E984-K988 PolarHBondContact O-N 3.01Å; E984-K988 IonicContact OE1-NZ 3.76Å; E984-K988 PolarHBondContact OE1-NZ 3.08Å; I985-K988 PolarHBondContact O-N 3.34Å; K988-K990 VanDerWaalsContact C-N 3.29Å; K988-K990 PolarHBondContact O-N 2.87Å; K988-S991 PolarHBondContact O-N 3.02Å; K988-S991 PolarHBondContact O-OG 2.85Å |
| 989 | L | 64.9 | Low | 53.7 | Low | 37 Ų | 37 | 115.1 Ų | 115.1 | 19% | 0.194 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -59.8 | -36.2 | 175 | -119.4 | 68.3 | 0 | 0 | 0 | 113.8 | I985 E986 Q1018 I1022 | I985-L989 HydrophobicContact CG2-CD1 4.26Å; I985-L989 WeakPolarHBondContact O-CB 3.33Å; I985-L989 PolarHBondContact O-N 3.35Å; E986-L989 WeakPolarHBondContact O-CB 3.31Å; E986-L989 PolarHBondContact O-N 2.87Å; L989-Q1018 HydrophobicContact CD1-CB 3.86Å; L989-Q1018 HydrophobicContact CD1-CG 4.21Å; L989-Q1018 HydrophobicContact CD2-CB 4.15Å; L989-Q1018 HydrophobicContact CD2-CG 4.36Å; L989-Q1018 HydrophobicContact CG-CB 3.72Å; L989-Q1018 HydrophobicContact CG-CG 3.68Å; L989-Q1018 PolarHBondContact O-NE2 3.26Å; L989-I1022 HydrophobicContact CD1-CD1 3.92Å; L989-I1022 HydrophobicContact CD1-CG1 4Å; L989-I1022 HydrophobicContact CD2-CD1 4.43Å |
| 990 | K | 42.7 | Very low | 53.9 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 54% | 0.543 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -83.1 | -16.7 | -174.1 | -70 | 162.3 | -169.1 | 170.8 | 0 | 113.6 | E986 S987 K988 S993 | E986-K990 WeakPolarHBondContact O-CD 3.28Å; E986-K990 VanDerWaalsContact O-CG 3.26Å; E986-K990 WeakPolarHBondContact O-CG 3.1Å; E986-K990 PolarHBondContact O-N 3.35Å; E986-K990 VanDerWaalsContact O-N 3.13Å; E986-K990 WeakPolarHBondContact OE2-CE 3.44Å; E986-K990 IonicContact OE2-NZ 2.64Å; E986-K990 PolarHBondContact OE2-NZ 2.87Å; S987-K990 PolarHBondContact O-N 3.2Å; K988-K990 VanDerWaalsContact C-N 3.29Å; K988-K990 PolarHBondContact O-N 2.87Å; K990-S993 PolarHBondContact O-OG 2.84Å |
| 991 | S | 51.8 | Low | 53.8 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -96.8 | -14.3 | -173.1 | 35.8 | 0 | 0 | 0 | 0 | 115.1 | S987 K988 | S987-S991 PolarHBondContact O-OG 3.27Å; K988-S991 PolarHBondContact O-N 3.02Å; K988-S991 PolarHBondContact O-OG 2.85Å |
| 992 | E | 44.3 | Very low | 54.5 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -97 | 4.4 | -177 | -149.7 | -147.6 | 133 | 0 | 0 | 114.9 | K1017 | E992-K1017 IonicContact OE1-NZ 2.63Å; E992-K1017 PolarHBondContact OE1-NZ 2.82Å |
| 993 | S | 43 | Very low | 55.7 | Low | 45 Ų | 45 | 102.3 Ų | 102.3 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | | | trans | -99.7 | 10.1 | -156.3 | 55.7 | 0 | 0 | 0 | 0 | 118.6 | K990 R1014 | K990-S993 PolarHBondContact O-OG 2.84Å; S993-R1014 PolarHBondContact OG-NE 3.06Å; S993-R1014 PolarHBondContact OG-NH2 2.89Å |
| 994 | E | 41.9 | Very low | 56.9 | Low | 200 Ų | 200 | 104.5 Ų | 104.5 | 94% | 0.935 | 55% | 0.548 | S | S | * | . | | | trans | -98.8 | 102.4 | -177.8 | -167 | 165.5 | -169.7 | 0 | 0 | 112.7 | | |
| 995 | A | 41.2 | Very low | 57.7 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 69% | 0.694 | 53% | 0.53 | S | S | * | . | | | trans | -148.2 | 154.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 996 | P | 48.2 | Very low | 58.4 | Low | 116 Ų | 116 | 99.2 Ų | 99.2 | 75% | 0.753 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 157.6 | -150.2 | 31.3 | -37.1 | 0 | 0 | 0 | 117 | L998 | P996-L998 PolarHBondContact O-N 3.48Š|
| 997 | L | 43 | Very low | 59.6 | Low | 153 Ų | 153 | 98.1 Ų | 98.1 | 80% | 0.801 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 122.4 | -174.3 | -63.6 | 83.2 | 0 | 0 | 0 | 113.5 | | |
| 998 | L | 48.2 | Very low | 61.2 | Low | 123 Ų | 123 | 98.6 Ų | 98.6 | 64% | 0.644 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 137.7 | 158.5 | -69.5 | 172.8 | 0 | 0 | 0 | 110.2 | P996 | P996-L998 PolarHBondContact O-N 3.48Š|
| 999 | K | 46.9 | Very low | 62.6 | Low | 210 Ų | 210 | 94.6 Ų | 94.6 | 91% | 0.913 | 51% | 0.507 | S | S | * | . | | | trans | -111.2 | 72 | -159.6 | -153.9 | 163.1 | -169.3 | 165.7 | 0 | 112.8 | | |
| 1000 | T | 59.3 | Low | 63.8 | Low | 33 Ų | 33 | 95.9 Ų | 95.9 | 20% | 0.202 | 51% | 0.513 | C | S | . | . | | | trans | -89.3 | 165.6 | 174.6 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | L949 N1002 S1006 | L949-T1000 HydrophobicContact CD1-CG2 3.81Å; L949-T1000 HydrophobicContact CD2-CG2 4.44Å; T1000-N1002 PolarHBondContact OG1-O 2.81Å; T1000-S1006 WeakPolarHBondContact CG2-OG 3.48Å; T1000-S1006 PolarHBondContact OG1-OG 3.02Å |
| 1001 | S | 57.3 | Low | 66.2 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 49% | 0.49 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -71.7 | -36.2 | 169.8 | 42.1 | 0 | 0 | 0 | 0 | 111.7 | E942 K1003 | E942-S1001 VanDerWaalsContact OE1-CB 3.23Å; E942-S1001 WeakPolarHBondContact OE1-CB 3.42Å; E942-S1001 PolarHBondContact OE1-OG 3.39Å; S1001-K1003 PolarHBondContact O-N 3.03Å; S1001-K1003 VanDerWaalsContact O-N 3.09Å |
| 1002 | N | 73.9 | Confident | 68.3 | Low | 52 Ų | 52 | 91.5 Ų | 91.5 | 28% | 0.278 | 49% | 0.485 | S | S | . | . | | | trans | -87.6 | 75.6 | -177.9 | -139.7 | -34.9 | 0 | 0 | 0 | 112.6 | D946 T1000 E1004 I1005 S1006 | D946-N1002 WeakPolarHBondContact OD1-CB 3.26Å; D946-N1002 PolarHBondContact OD2-ND2 3.41Å; T1000-N1002 PolarHBondContact OG1-O 2.81Å; N1002-E1004 VanDerWaalsContact C-N 3.27Å; N1002-E1004 PolarHBondContact O-N 3.37Å; N1002-I1005 HydrophobicContact CB-CD1 4.1Å; N1002-I1005 HydrophobicContact CB-CG1 4.4Å; N1002-I1005 PolarHBondContact O-N 3.21Å; N1002-S1006 PolarHBondContact O-N 3.36Å |
| 1003 | K | 81.6 | Confident | 70.5 | Confident | 169 Ų | 169 | 91.6 Ų | 91.6 | 74% | 0.735 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.9 | -35.8 | -174.2 | -64.7 | -178.9 | -177.8 | 177.9 | 0 | 114.1 | S1001 S1006 S1007 | S1001-K1003 PolarHBondContact O-N 3.03Å; S1001-K1003 VanDerWaalsContact O-N 3.09Å; K1003-S1006 PolarHBondContact O-N 3Å; K1003-S1007 WeakPolarHBondContact O-CB 3.25Å; K1003-S1007 PolarHBondContact O-N 3.24Å |
| 1004 | E | 86.1 | Confident | 73 | Confident | 154 Ų | 154 | 93 Ų | 93 | 72% | 0.72 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.8 | -49.8 | -177.1 | -67.8 | 170.1 | -163.9 | 0 | 0 | 110.7 | N1002 S1006 S1007 I1008 | N1002-E1004 VanDerWaalsContact C-N 3.27Å; N1002-E1004 PolarHBondContact O-N 3.37Å; E1004-S1006 VanDerWaalsContact C-N 3.29Å; E1004-S1006 PolarHBondContact O-N 3.4Å; E1004-S1007 WeakPolarHBondContact O-CB 3.4Å; E1004-S1007 PolarHBondContact O-N 3.37Å; E1004-S1007 VanDerWaalsContact O-N 3.14Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.29Å; E1004-I1008 PolarHBondContact O-N 3.02Å |
| 1005 | I | 84.8 | Confident | 75.5 | Confident | 27 Ų | 27 | 85.9 Ų | 85.9 | 14% | 0.138 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 177 | -50.7 | 177.1 | 0 | 0 | 0 | 110.7 | D946 L949 I950 V953 N1002 I1008 L1009 | D946-I1005 HydrophobicContact CB-CD1 4.42Å; L949-I1005 HydrophobicContact CB-CG2 3.79Å; I950-I1005 HydrophobicContact CD1-CD1 4.11Å; I950-I1005 HydrophobicContact CG1-CD1 4.01Å; I950-I1005 HydrophobicContact CG1-CG2 4.17Å; V953-I1005 HydrophobicContact CG2-CG2 4.18Å; N1002-I1005 HydrophobicContact CB-CD1 4.1Å; N1002-I1005 HydrophobicContact CB-CG1 4.4Å; N1002-I1005 PolarHBondContact O-N 3.21Å; I1005-I1008 PolarHBondContact O-N 2.87Å; I1005-L1009 WeakPolarHBondContact O-CB 3.48Å; I1005-L1009 PolarHBondContact O-N 3.41Å |
| 1006 | S | 83.4 | Confident | 78 | Confident | 9 Ų | 9 | 84 Ų | 84 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -72.1 | -32.1 | 176.2 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | T1000 N1002 K1003 E1004 L1009 L1010 | T1000-S1006 WeakPolarHBondContact CG2-OG 3.48Å; T1000-S1006 PolarHBondContact OG1-OG 3.02Å; N1002-S1006 PolarHBondContact O-N 3.36Å; K1003-S1006 PolarHBondContact O-N 3Å; E1004-S1006 VanDerWaalsContact C-N 3.29Å; E1004-S1006 PolarHBondContact O-N 3.4Å; S1006-L1009 PolarHBondContact O-N 3.41Å; S1006-L1010 WeakPolarHBondContact O-CB 3.37Å; S1006-L1010 VanDerWaalsContact O-CG 3.27Å; S1006-L1010 WeakPolarHBondContact O-CG 3.29Å; S1006-L1010 PolarHBondContact O-N 3.34Å |
| 1007 | S | 87.6 | Confident | 80.1 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 54% | 0.538 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 172 | -163.4 | 0 | 0 | 0 | 0 | 111.2 | K1003 E1004 L1010 E1011 | K1003-S1007 WeakPolarHBondContact O-CB 3.25Å; K1003-S1007 PolarHBondContact O-N 3.24Å; E1004-S1007 WeakPolarHBondContact O-CB 3.4Å; E1004-S1007 PolarHBondContact O-N 3.37Å; E1004-S1007 VanDerWaalsContact O-N 3.14Å; S1007-L1010 PolarHBondContact O-N 3.46Å; S1007-E1011 PolarHBondContact O-N 2.79Å |
| 1008 | I | 92.4 | Very high | 82.5 | Confident | 90 Ų | 90 | 76.9 Ų | 76.9 | 46% | 0.462 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 173.6 | -66 | 163.1 | 0 | 0 | 0 | 110.2 | V953 E1004 I1005 L1010 E1011 L1012 | V953-I1008 HydrophobicContact CG1-CG2 3.76Å; V953-I1008 HydrophobicContact CG2-CG2 4.15Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.29Å; E1004-I1008 PolarHBondContact O-N 3.02Å; I1005-I1008 PolarHBondContact O-N 2.87Å; I1008-L1010 VanDerWaalsContact C-N 3.34Å; I1008-L1010 PolarHBondContact O-N 2.98Å; I1008-E1011 PolarHBondContact O-N 3.4Å; I1008-L1012 HydrophobicContact CG2-CD1 3.91Å; I1008-L1012 HydrophobicContact CG2-CG 4.35Å; I1008-L1012 WeakPolarHBondContact O-CB 3.22Å; I1008-L1012 VanDerWaalsContact O-CG 3.25Å; I1008-L1012 WeakPolarHBondContact O-CG 3.31Å; I1008-L1012 PolarHBondContact O-N 3.04Å |
| 1009 | L | 91.8 | Very high | 84.6 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -36 | 177.9 | -172.1 | 62.2 | 0 | 0 | 0 | 112.8 | L949 V953 L956 I1005 S1006 K1013 | L949-L1009 HydrophobicContact CD2-CD2 3.92Å; V953-L1009 HydrophobicContact CG2-CB 3.75Å; V953-L1009 HydrophobicContact CG2-CD1 3.91Å; V953-L1009 HydrophobicContact CG2-CG 4.36Å; L956-L1009 HydrophobicContact CD2-CD1 4.02Å; I1005-L1009 WeakPolarHBondContact O-CB 3.48Å; I1005-L1009 PolarHBondContact O-N 3.41Å; S1006-L1009 PolarHBondContact O-N 3.41Å; L1009-K1013 WeakPolarHBondContact O-CG 3.23Å; L1009-K1013 PolarHBondContact O-N 2.87Å |
| 1010 | L | 90.1 | Very high | 86.8 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69 | -47.1 | 175.4 | -75.3 | 168.2 | 0 | 0 | 0 | 111.7 | S1006 S1007 I1008 L1012 K1013 R1014 | S1006-L1010 WeakPolarHBondContact O-CB 3.37Å; S1006-L1010 VanDerWaalsContact O-CG 3.27Å; S1006-L1010 WeakPolarHBondContact O-CG 3.29Å; S1006-L1010 PolarHBondContact O-N 3.34Å; S1007-L1010 PolarHBondContact O-N 3.46Å; I1008-L1010 VanDerWaalsContact C-N 3.34Å; I1008-L1010 PolarHBondContact O-N 2.98Å; L1010-L1012 VanDerWaalsContact C-N 3.35Å; L1010-L1012 PolarHBondContact O-N 3.21Å; L1010-K1013 PolarHBondContact O-N 2.88Å; L1010-K1013 VanDerWaalsContact O-N 3.13Å; L1010-R1014 PolarHBondContact O-N 3.05Å |
| 1011 | E | 93.4 | Very high | 88.4 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 178.9 | -164.2 | 62.7 | -161.6 | 0 | 0 | 111.6 | S1007 I1008 K1013 R1014 V1015 | S1007-E1011 PolarHBondContact O-N 2.79Å; I1008-E1011 PolarHBondContact O-N 3.4Å; E1011-K1013 PolarHBondContact O-N 3.12Å; E1011-R1014 VanDerWaalsContact O-CB 3.32Å; E1011-R1014 WeakPolarHBondContact O-CB 3.49Å; E1011-R1014 PolarHBondContact O-N 3.04Å; E1011-R1014 WeakPolarHBondContact OE1-CD 3.26Å; E1011-R1014 IonicContact OE1-CZ 3.66Å; E1011-R1014 IonicContact OE1-NE 3.65Å; E1011-R1014 IonicContact OE1-NH1 3.33Å; E1011-R1014 PolarHBondContact OE1-NH1 3.21Å; E1011-R1014 WeakPolarHBondContact OE2-CD 3.14Å; E1011-R1014 IonicContact OE2-NH1 3.44Å; E1011-V1015 WeakPolarHBondContact O-CG2 3.45Å; E1011-V1015 PolarHBondContact O-N 3.31Å |
| 1012 | L | 95.1 | Very high | 89.9 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 170.4 | -71.1 | 174.7 | 0 | 0 | 0 | 111.7 | V953 L956 I960 I1008 L1010 R1014 V1015 E1016 | V953-L1012 HydrophobicContact CB-CD1 4.46Å; V953-L1012 HydrophobicContact CG1-CD1 3.87Å; L956-L1012 HydrophobicContact CD2-CB 3.62Å; L956-L1012 HydrophobicContact CG-CB 3.97Å; I960-L1012 HydrophobicContact CD1-CB 3.9Å; I960-L1012 HydrophobicContact CD1-CD2 3.84Å; I960-L1012 HydrophobicContact CD1-CG 4.44Å; I960-L1012 WeakPolarHBondContact CD1-O 3.4Å; I1008-L1012 HydrophobicContact CG2-CD1 3.91Å; I1008-L1012 HydrophobicContact CG2-CG 4.35Å; I1008-L1012 WeakPolarHBondContact O-CB 3.22Å; I1008-L1012 VanDerWaalsContact O-CG 3.25Å; I1008-L1012 WeakPolarHBondContact O-CG 3.31Å; I1008-L1012 PolarHBondContact O-N 3.04Å; L1010-L1012 VanDerWaalsContact C-N 3.35Å; L1010-L1012 PolarHBondContact O-N 3.21Å; L1012-R1014 VanDerWaalsContact C-N 3.31Å; L1012-R1014 PolarHBondContact O-N 2.95Å; L1012-V1015 PolarHBondContact O-N 2.66Å; L1012-E1016 WeakPolarHBondContact O-CB 3.34Å; L1012-E1016 PolarHBondContact O-N 3.19Å |
| 1013 | K | 91.9 | Very high | 90.5 | Very high | 102 Ų | 102 | 65.1 Ų | 65.1 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.1 | -31.1 | 174 | -78.9 | -171.8 | 175.8 | -173.6 | 0 | 113 | L956 L1009 L1010 E1011 K1017 | L956-K1013 HydrophobicContact CD2-CB 4.33Å; L956-K1013 HydrophobicContact CD2-CG 3.46Å; L956-K1013 VanDerWaalsContact CD2-CG 3.46Å; L1009-K1013 WeakPolarHBondContact O-CG 3.23Å; L1009-K1013 PolarHBondContact O-N 2.87Å; L1010-K1013 PolarHBondContact O-N 2.88Å; L1010-K1013 VanDerWaalsContact O-N 3.13Å; E1011-K1013 PolarHBondContact O-N 3.12Å; K1013-K1017 WeakPolarHBondContact O-CG 3.4Å; K1013-K1017 PolarHBondContact O-N 3.04Å |
| 1014 | R | 95.3 | Very high | 90.8 | Very high | 74 Ų | 74 | 61.1 Ų | 61.1 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -54.1 | 170 | -170.2 | -155 | -171.8 | -179.7 | 9.7 | 110 | S993 L1010 E1011 L1012 E1016 K1017 Q1018 | S993-R1014 PolarHBondContact OG-NE 3.06Å; S993-R1014 PolarHBondContact OG-NH2 2.89Å; L1010-R1014 PolarHBondContact O-N 3.05Å; E1011-R1014 VanDerWaalsContact O-CB 3.32Å; E1011-R1014 WeakPolarHBondContact O-CB 3.49Å; E1011-R1014 PolarHBondContact O-N 3.04Å; E1011-R1014 WeakPolarHBondContact OE1-CD 3.26Å; E1011-R1014 IonicContact OE1-CZ 3.66Å; E1011-R1014 IonicContact OE1-NE 3.65Å; E1011-R1014 IonicContact OE1-NH1 3.33Å; E1011-R1014 PolarHBondContact OE1-NH1 3.21Å; E1011-R1014 WeakPolarHBondContact OE2-CD 3.14Å; E1011-R1014 IonicContact OE2-NH1 3.44Å; L1012-R1014 VanDerWaalsContact C-N 3.31Å; L1012-R1014 PolarHBondContact O-N 2.95Å; R1014-E1016 VanDerWaalsContact C-N 3.27Å; R1014-E1016 PolarHBondContact O-N 3.49Å; R1014-K1017 PolarHBondContact O-N 3.27Å; R1014-K1017 VanDerWaalsContact O-N 3.12Å; R1014-Q1018 HydrophobicContact CG-CG 4.37Å; R1014-Q1018 WeakPolarHBondContact O-CB 3.35Å; R1014-Q1018 VanDerWaalsContact O-CG 3.23Å; R1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; R1014-Q1018 PolarHBondContact O-N 2.67Å |
| 1015 | V | 94.2 | Very high | 90.8 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.4 | -37 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | I960 E1011 L1012 L1019 | I960-V1015 HydrophobicContact CD1-CB 4.49Å; I960-V1015 HydrophobicContact CD1-CG1 4.38Å; I960-V1015 HydrophobicContact CG2-CG1 3.87Å; E1011-V1015 WeakPolarHBondContact O-CG2 3.45Å; E1011-V1015 PolarHBondContact O-N 3.31Å; L1012-V1015 PolarHBondContact O-N 2.66Å; V1015-L1019 WeakPolarHBondContact O-CB 3.45Å; V1015-L1019 PolarHBondContact O-N 2.91Å |
| 1016 | E | 93.1 | Very high | 90.7 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 173.5 | -179.6 | 178.8 | -142 | 0 | 0 | 112.4 | L956 K959 I960 L1012 R1014 L1019 Q1020 | L956-E1016 HydrophobicContact CD1-CB 4.11Å; L956-E1016 VanDerWaalsContact CD1-CD 3.45Å; L956-E1016 HydrophobicContact CD1-CG 4.21Å; L956-E1016 WeakPolarHBondContact CD1-OE2 3.34Å; K959-E1016 WeakPolarHBondContact CD-OE1 3.28Å; K959-E1016 WeakPolarHBondContact CE-OE1 3.34Å; K959-E1016 IonicContact NZ-OE1 2.7Å; K959-E1016 PolarHBondContact NZ-OE1 2.9Å; I960-E1016 HydrophobicContact CD1-CB 4.26Å; I960-E1016 HydrophobicContact CG1-CB 4.17Å; L1012-E1016 WeakPolarHBondContact O-CB 3.34Å; L1012-E1016 PolarHBondContact O-N 3.19Å; R1014-E1016 VanDerWaalsContact C-N 3.27Å; R1014-E1016 PolarHBondContact O-N 3.49Å; E1016-L1019 PolarHBondContact O-N 3.37Å; E1016-Q1020 WeakPolarHBondContact O-CB 3.35Å; E1016-Q1020 PolarHBondContact O-N 3.36Å |
| 1017 | K | 92.8 | Very high | 90.8 | Very high | 96 Ų | 96 | 57.7 Ų | 57.7 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 177.7 | -67.5 | 170.8 | 93.6 | -102.2 | 0 | 111.1 | E992 K1013 R1014 L1019 Q1020 V1021 | E992-K1017 IonicContact OE1-NZ 2.63Å; E992-K1017 PolarHBondContact OE1-NZ 2.82Å; K1013-K1017 WeakPolarHBondContact O-CG 3.4Å; K1013-K1017 PolarHBondContact O-N 3.04Å; R1014-K1017 PolarHBondContact O-N 3.27Å; R1014-K1017 VanDerWaalsContact O-N 3.12Å; K1017-L1019 VanDerWaalsContact C-N 3.32Å; K1017-L1019 PolarHBondContact O-N 2.89Å; K1017-Q1020 WeakPolarHBondContact O-CB 3.38Å; K1017-Q1020 PolarHBondContact O-N 2.94Å; K1017-Q1020 VanDerWaalsContact O-N 3.1Å; K1017-V1021 PolarHBondContact O-N 3.05Å |
| 1018 | Q | 93.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 178.1 | -70.7 | 176.2 | -37.3 | 0 | 0 | 111.7 | L989 R1014 V1021 I1022 | L989-Q1018 HydrophobicContact CD1-CB 3.86Å; L989-Q1018 HydrophobicContact CD1-CG 4.21Å; L989-Q1018 HydrophobicContact CD2-CB 4.15Å; L989-Q1018 HydrophobicContact CD2-CG 4.36Å; L989-Q1018 HydrophobicContact CG-CB 3.72Å; L989-Q1018 HydrophobicContact CG-CG 3.68Å; L989-Q1018 PolarHBondContact O-NE2 3.26Å; R1014-Q1018 HydrophobicContact CG-CG 4.37Å; R1014-Q1018 WeakPolarHBondContact O-CB 3.35Å; R1014-Q1018 VanDerWaalsContact O-CG 3.23Å; R1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; R1014-Q1018 PolarHBondContact O-N 2.67Å; Q1018-V1021 PolarHBondContact O-N 3.18Å; Q1018-I1022 WeakPolarHBondContact O-CG1 3.24Å; Q1018-I1022 PolarHBondContact O-N 2.97Å |
| 1019 | L | 92.9 | Very high | 89.8 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.5 | -31.2 | 176 | -178.6 | 58.6 | 0 | 0 | 0 | 112.9 | I960 V964 T967 V1015 E1016 K1017 I1022 N1023 | I960-L1019 HydrophobicContact CG2-CD2 4.1Å; V964-L1019 HydrophobicContact CB-CD2 4.48Å; V964-L1019 HydrophobicContact CG2-CD1 4.1Å; V964-L1019 HydrophobicContact CG2-CD2 3.52Å; V964-L1019 HydrophobicContact CG2-CG 4.48Å; T967-L1019 HydrophobicContact CG2-CD1 4.35Å; V1015-L1019 WeakPolarHBondContact O-CB 3.45Å; V1015-L1019 PolarHBondContact O-N 2.91Å; E1016-L1019 PolarHBondContact O-N 3.37Å; K1017-L1019 VanDerWaalsContact C-N 3.32Å; K1017-L1019 PolarHBondContact O-N 2.89Å; L1019-I1022 PolarHBondContact O-N 3.18Å; L1019-N1023 WeakPolarHBondContact O-CB 3.42Å; L1019-N1023 PolarHBondContact O-N 3.03Å |
| 1020 | Q | 91.6 | Very high | 89.1 | Confident | 128 Ų | 128 | 61.4 Ų | 61.4 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | 171 | -173.8 | 175.7 | 1.9 | 0 | 0 | 111.3 | E1016 K1017 N1023 V1024 | E1016-Q1020 WeakPolarHBondContact O-CB 3.35Å; E1016-Q1020 PolarHBondContact O-N 3.36Å; K1017-Q1020 WeakPolarHBondContact O-CB 3.38Å; K1017-Q1020 PolarHBondContact O-N 2.94Å; K1017-Q1020 VanDerWaalsContact O-N 3.1Å; Q1020-N1023 PolarHBondContact O-N 3.29Å; Q1020-V1024 WeakPolarHBondContact O-CG2 3.27Å; Q1020-V1024 PolarHBondContact O-N 3.5Å; Q1020-V1024 VanDerWaalsContact O-N 3.09Å |
| 1021 | V | 93.5 | Very high | 88.6 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 30% | 0.303 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 173.1 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | K1017 Q1018 N1023 V1024 M1025 | K1017-V1021 PolarHBondContact O-N 3.05Å; Q1018-V1021 PolarHBondContact O-N 3.18Å; V1021-N1023 PolarHBondContact O-N 2.88Å; V1021-V1024 PolarHBondContact O-N 3.4Å; V1021-M1025 HydrophobicContact CG1-CG 4.42Å; V1021-M1025 HydrophobicContact CG1-SD 4.09Å; V1021-M1025 WeakPolarHBondContact O-CG 3.48Å; V1021-M1025 PolarHBondContact O-N 3.25Å |
| 1022 | I | 88.3 | Confident | 87.7 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 175.6 | -64.5 | 165.6 | 0 | 0 | 0 | 110.8 | T967 I985 L989 Q1018 L1019 V1024 M1025 V1026 | T967-I1022 HydrophobicContact CG2-CG2 3.82Å; I985-I1022 HydrophobicContact CG2-CD1 4.23Å; I985-I1022 HydrophobicContact CG2-CG1 3.8Å; L989-I1022 HydrophobicContact CD1-CD1 3.92Å; L989-I1022 HydrophobicContact CD1-CG1 4Å; L989-I1022 HydrophobicContact CD2-CD1 4.43Å; Q1018-I1022 WeakPolarHBondContact O-CG1 3.24Å; Q1018-I1022 PolarHBondContact O-N 2.97Å; L1019-I1022 PolarHBondContact O-N 3.18Å; I1022-V1024 VanDerWaalsContact C-N 3.26Å; I1022-V1024 PolarHBondContact O-N 2.89Å; I1022-M1025 PolarHBondContact O-N 2.85Å; I1022-M1025 VanDerWaalsContact O-N 3.14Å; I1022-V1026 HydrophobicContact CG2-CG2 3.96Å; I1022-V1026 VanDerWaalsContact O-CB 3.29Å; I1022-V1026 WeakPolarHBondContact O-CB 3.23Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.27Å; I1022-V1026 PolarHBondContact O-N 2.94Å |
| 1023 | N | 87.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -32.2 | 178.9 | -175.7 | 57.4 | 0 | 0 | 0 | 113 | T967 K970 L1019 Q1020 V1021 D1027 | T967-N1023 HydrophobicContact CG2-CB 4.49Å; K970-N1023 WeakPolarHBondContact CD-OD1 3.26Å; K970-N1023 VanDerWaalsContact CE-OD1 3.29Å; K970-N1023 WeakPolarHBondContact CE-OD1 3.47Å; K970-N1023 PolarHBondContact NZ-OD1 3.34Å; L1019-N1023 WeakPolarHBondContact O-CB 3.42Å; L1019-N1023 PolarHBondContact O-N 3.03Å; Q1020-N1023 PolarHBondContact O-N 3.29Å; V1021-N1023 PolarHBondContact O-N 2.88Å; N1023-D1027 PolarHBondContact O-N 3.03Å; N1023-D1027 VanDerWaalsContact O-N 3.09Å |
| 1024 | V | 87.8 | Confident | 85.9 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -77.3 | -36.1 | 173.4 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | Q1020 V1021 I1022 V1026 D1027 P1028 | Q1020-V1024 WeakPolarHBondContact O-CG2 3.27Å; Q1020-V1024 PolarHBondContact O-N 3.5Å; Q1020-V1024 VanDerWaalsContact O-N 3.09Å; V1021-V1024 PolarHBondContact O-N 3.4Å; I1022-V1024 VanDerWaalsContact C-N 3.26Å; I1022-V1024 PolarHBondContact O-N 2.89Å; V1024-V1026 VanDerWaalsContact C-N 3.33Å; V1024-D1027 CarbonylContact O-C 3.47Å; V1024-P1028 WeakPolarHBondContact O-CA 3.49Å; V1024-P1028 WeakPolarHBondContact O-CB 3.06Å; V1024-P1028 VanDerWaalsContact O-N 3.07Å |
| 1025 | M | 84.8 | Confident | 84.4 | Confident | 84 Ų | 84 | 58 Ų | 58 | 41% | 0.414 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.3 | -31.8 | 174.1 | -72 | -178 | 64.3 | 0 | 0 | 112.8 | I985 V1021 I1022 | I985-M1025 HydrophobicContact CG1-CE 3.97Å; V1021-M1025 HydrophobicContact CG1-CG 4.42Å; V1021-M1025 HydrophobicContact CG1-SD 4.09Å; V1021-M1025 WeakPolarHBondContact O-CG 3.48Å; V1021-M1025 PolarHBondContact O-N 3.25Å; I1022-M1025 PolarHBondContact O-N 2.85Å; I1022-M1025 VanDerWaalsContact O-N 3.14Å |
| 1026 | V | 84.1 | Confident | 82.9 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.5 | -39.3 | 176.8 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | T967 K970 I971 L974 I1022 V1024 | T967-V1026 HydrophobicContact CG2-CG2 4.27Å; K970-V1026 HydrophobicContact CB-CG1 3.53Å; K970-V1026 HydrophobicContact CD-CG1 4.18Å; I971-V1026 HydrophobicContact CD1-CG2 4.03Å; I971-V1026 HydrophobicContact CG1-CG1 3.95Å; I971-V1026 HydrophobicContact CG1-CG2 3.73Å; L974-V1026 HydrophobicContact CD1-CG1 3.7Å; L974-V1026 VanDerWaalsContact CD1-O 3.27Å; L974-V1026 WeakPolarHBondContact CD1-O 3.38Å; I1022-V1026 HydrophobicContact CG2-CG2 3.96Å; I1022-V1026 VanDerWaalsContact O-CB 3.29Å; I1022-V1026 WeakPolarHBondContact O-CB 3.23Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.27Å; I1022-V1026 PolarHBondContact O-N 2.94Å; V1024-V1026 VanDerWaalsContact C-N 3.33Å |
| 1027 | D | 85.2 | Confident | 81.3 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | | | trans | -138.5 | 69.5 | -174.7 | -174.9 | 29.8 | 0 | 0 | 0 | 111.2 | K970 N1023 V1024 D1029 G1030 T1031 L1032 D1033 | K970-D1027 HydrophobicContact CD-CB 3.81Å; K970-D1027 VanDerWaalsContact CE-OD2 3.29Å; K970-D1027 WeakPolarHBondContact CE-OD2 3.32Å; K970-D1027 IonicContact NZ-OD2 2.63Å; K970-D1027 PolarHBondContact NZ-OD2 3.21Å; N1023-D1027 PolarHBondContact O-N 3.03Å; N1023-D1027 VanDerWaalsContact O-N 3.09Å; V1024-D1027 CarbonylContact O-C 3.47Å; D1027-D1029 PolarHBondContact O-N 2.95Å; D1027-G1030 PolarHBondContact O-N 2.67Å; D1027-G1030 VanDerWaalsContact O-N 3.15Å; D1027-G1030 PolarHBondContact OD1-N 2.78Å; D1027-G1030 VanDerWaalsContact OD2-C 3.29Å; D1027-G1030 WeakPolarHBondContact OD2-CA 3.47Å; D1027-T1031 PolarHBondContact OD1-N 2.91Å; D1027-L1032 HydrophobicContact CB-CB 4.19Å; D1027-L1032 HydrophobicContact CB-CD1 4.12Å; D1027-L1032 HydrophobicContact CB-CG 4.39Å; D1027-L1032 VanDerWaalsContact CG-N 3.32Å; D1027-L1032 PolarHBondContact OD1-N 3.18Å; D1027-L1032 WeakPolarHBondContact OD2-CB 3.42Å; D1027-L1032 PolarHBondContact OD2-N 3.27Å; D1027-L1032 VanDerWaalsContact OD2-N 3.14Å; D1027-D1033 PolarHBondContact OD2-N 3.3Å |
| 1028 | P | 79.9 | Confident | 79.7 | Confident | 92 Ų | 92 | 62 Ų | 62 | 60% | 0.597 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30 | -173.5 | 25.6 | -35 | 0 | 0 | 0 | 112.7 | V1024 | V1024-P1028 WeakPolarHBondContact O-CA 3.49Å; V1024-P1028 WeakPolarHBondContact O-CB 3.06Å; V1024-P1028 VanDerWaalsContact O-N 3.07Å |
| 1029 | D | 78.4 | Confident | 77.4 | Confident | 137 Ų | 137 | 65.7 Ų | 65.7 | 73% | 0.733 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 5.2 | -179.5 | -54.6 | -55.7 | 0 | 0 | 0 | 113 | D1027 T1031 | D1027-D1029 PolarHBondContact O-N 2.95Å; D1029-T1031 PolarHBondContact O-N 3.05Å; D1029-T1031 PolarHBondContact O-OG1 3.01Å |
| 1030 | G | 78.4 | Confident | 75.2 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 60.7 | 11.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1027 A1034 | D1027-G1030 PolarHBondContact O-N 2.67Å; D1027-G1030 VanDerWaalsContact O-N 3.15Å; D1027-G1030 PolarHBondContact OD1-N 2.78Å; D1027-G1030 VanDerWaalsContact OD2-C 3.29Å; D1027-G1030 WeakPolarHBondContact OD2-CA 3.47Å; G1030-A1034 PolarHBondContact O-N 2.96Å |
| 1031 | T | 77.7 | Confident | 72.6 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -76.7 | -27.3 | -170.4 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | D1027 D1029 L1035 | D1027-T1031 PolarHBondContact OD1-N 2.91Å; D1029-T1031 PolarHBondContact O-N 3.05Å; D1029-T1031 PolarHBondContact O-OG1 3.01Å; T1031-L1035 HydrophobicContact CG2-CD1 4.22Å; T1031-L1035 WeakPolarHBondContact O-CG 3.27Å; T1031-L1035 PolarHBondContact O-N 2.77Å |
| 1032 | L | 76.3 | Confident | 69.4 | Low | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.094 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -79.8 | -32.3 | 176 | -56.1 | 173.3 | 0 | 0 | 0 | 112.5 | K970 I973 L974 D1027 A1034 L1035 A1036 | K970-L1032 HydrophobicContact CB-CB 4.2Å; K970-L1032 HydrophobicContact CB-CD1 3.98Å; K970-L1032 HydrophobicContact CD-CB 4.14Å; K970-L1032 HydrophobicContact CG-CB 3.79Å; K970-L1032 HydrophobicContact CG-CD1 4.46Å; I973-L1032 HydrophobicContact CG2-CD2 3.89Å; L974-L1032 HydrophobicContact CD1-CD1 3.53Å; L974-L1032 HydrophobicContact CD2-CD1 3.87Å; L974-L1032 HydrophobicContact CG-CD1 3.51Å; D1027-L1032 HydrophobicContact CB-CB 4.19Å; D1027-L1032 HydrophobicContact CB-CD1 4.12Å; D1027-L1032 HydrophobicContact CB-CG 4.39Å; D1027-L1032 VanDerWaalsContact CG-N 3.32Å; D1027-L1032 PolarHBondContact OD1-N 3.18Å; D1027-L1032 WeakPolarHBondContact OD2-CB 3.42Å; D1027-L1032 PolarHBondContact OD2-N 3.27Å; D1027-L1032 VanDerWaalsContact OD2-N 3.14Å; L1032-A1034 VanDerWaalsContact C-N 3.32Å; L1032-L1035 HydrophobicContact CD2-CD1 4.37Å; L1032-L1035 PolarHBondContact O-N 2.76Å; L1032-A1036 WeakPolarHBondContact O-CB 3.46Å; L1032-A1036 PolarHBondContact O-N 3.03Å |
| 1033 | D | 76.1 | Confident | 66.9 | Low | 58 Ų | 58 | 79.9 Ų | 79.9 | 31% | 0.31 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 167 | -92.9 | -34 | 0 | 0 | 0 | 110.3 | K970 D1027 A1036 S1037 | K970-D1033 WeakPolarHBondContact CE-OD1 3.42Å; K970-D1033 WeakPolarHBondContact CE-OD2 3.28Å; K970-D1033 IonicContact NZ-OD1 2.69Å; K970-D1033 PolarHBondContact NZ-OD1 2.94Å; K970-D1033 IonicContact NZ-OD2 3.89Å; K970-D1033 PolarHBondContact NZ-OD2 3.12Å; D1027-D1033 PolarHBondContact OD2-N 3.3Å; D1033-A1036 PolarHBondContact O-N 3.28Å; D1033-S1037 WeakPolarHBondContact O-CB 3.47Å; D1033-S1037 PolarHBondContact O-N 3.33Å |
| 1034 | A | 73.1 | Confident | 64.2 | Low | 45 Ų | 45 | 84.2 Ų | 84.2 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1030 L1032 A1036 S1037 L1038 | G1030-A1034 PolarHBondContact O-N 2.96Å; L1032-A1034 VanDerWaalsContact C-N 3.32Å; A1034-A1036 VanDerWaalsContact C-N 3.34Å; A1034-A1036 PolarHBondContact O-N 3.45Å; A1034-S1037 PolarHBondContact O-N 2.87Å; A1034-S1037 PolarHBondContact O-OG 3.18Å; A1034-L1038 WeakPolarHBondContact O-CG 3.21Å; A1034-L1038 PolarHBondContact O-N 3.33Å; A1034-L1038 VanDerWaalsContact O-N 3.13Å |
| 1035 | L | 62.2 | Low | 61.8 | Low | 98 Ų | 98 | 89.8 Ų | 89.8 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 178.2 | -72.2 | 169.3 | 0 | 0 | 0 | 112.9 | T1031 L1032 L1038 | T1031-L1035 HydrophobicContact CG2-CD1 4.22Å; T1031-L1035 WeakPolarHBondContact O-CG 3.27Å; T1031-L1035 PolarHBondContact O-N 2.77Å; L1032-L1035 HydrophobicContact CD2-CD1 4.37Å; L1032-L1035 PolarHBondContact O-N 2.76Å; L1035-L1038 PolarHBondContact O-N 3.27Å |
| 1036 | A | 62.9 | Low | 59.2 | Low | 58 Ų | 58 | 92.1 Ų | 92.1 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -38.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1032 D1033 A1034 L1038 S1039 | L1032-A1036 WeakPolarHBondContact O-CB 3.46Å; L1032-A1036 PolarHBondContact O-N 3.03Å; D1033-A1036 PolarHBondContact O-N 3.28Å; A1034-A1036 VanDerWaalsContact C-N 3.34Å; A1034-A1036 PolarHBondContact O-N 3.45Å; A1036-L1038 PolarHBondContact O-N 3.37Å; A1036-S1039 PolarHBondContact O-N 3.27Å |
| 1037 | S | 59.8 | Low | 56.8 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.1 | -22.8 | 175.5 | 80 | 0 | 0 | 0 | 0 | 113.9 | D1033 A1034 S1039 | D1033-S1037 WeakPolarHBondContact O-CB 3.47Å; D1033-S1037 PolarHBondContact O-N 3.33Å; A1034-S1037 PolarHBondContact O-N 2.87Å; A1034-S1037 PolarHBondContact O-OG 3.18Å; S1037-S1039 VanDerWaalsContact C-N 3.32Å |
| 1038 | L | 58.6 | Low | 54.2 | Low | 125 Ų | 125 | 103.2 Ų | 103.2 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 6.3 | 179.7 | -69.1 | 170.5 | 0 | 0 | 0 | 113.5 | A1034 L1035 A1036 L1040 | A1034-L1038 WeakPolarHBondContact O-CG 3.21Å; A1034-L1038 PolarHBondContact O-N 3.33Å; A1034-L1038 VanDerWaalsContact O-N 3.13Å; L1035-L1038 PolarHBondContact O-N 3.27Å; A1036-L1038 PolarHBondContact O-N 3.37Å; L1038-L1040 PolarHBondContact O-N 3.48Å |
| 1039 | S | 45.6 | Very low | 51.9 | Low | 100 Ų | 100 | 103.8 Ų | 103.8 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.7 | 60.7 | 160.9 | 68.4 | 0 | 0 | 0 | 0 | 116.7 | A1036 S1037 | A1036-S1039 PolarHBondContact O-N 3.27Å; S1037-S1039 VanDerWaalsContact C-N 3.32Å |
| 1040 | L | 46.7 | Very low | 49.5 | Very low | 155 Ų | 155 | 107.5 Ų | 107.5 | 81% | 0.812 | 65% | 0.649 | S | S | * | * | | | trans | -110.6 | 144.4 | 154.5 | -70 | 179.3 | 0 | 0 | 0 | 110.2 | L1038 | L1038-L1040 PolarHBondContact O-N 3.48Š|
| 1041 | T | 37.7 | Very low | 47.1 | Very low | 131 Ų | 131 | 110.9 Ų | 110.9 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | | | trans | 74.4 | 80 | -179.4 | 67.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1042 | S | 26.9 | Very low | 44.8 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | | | | -63.9 | 147.7 | 127.2 | -73.5 | 0 | 0 | 0 | 0 | 109.1 | T1044 | S1042-T1044 PolarHBondContact O-N 2.73Š|
| 1043 | P | 36.2 | Very low | 42.7 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | | | trans | -79.9 | 61.8 | -175.5 | 34 | -37.1 | 0 | 0 | 0 | 112.7 | | |
| 1044 | T | 31 | Very low | 40.6 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | trans | -73.9 | 126 | 169.1 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | S1042 V1046 | S1042-T1044 PolarHBondContact O-N 2.73Å; T1044-V1046 PolarHBondContact O-N 3.15Å |
| 1045 | K | 36.8 | Very low | 38.4 | Very low | 201 Ų | 201 | 125.9 Ų | 125.9 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -59.1 | 129.3 | 176 | -61.7 | 176 | -178.7 | 176.9 | 0 | 110 | | |
| 1046 | V | 30.5 | Very low | 36.8 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | -120.4 | 117 | 172.2 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | T1044 | T1044-V1046 PolarHBondContact O-N 3.15Š|
| 1047 | P | 33.4 | Very low | 35.2 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -75.4 | 151.3 | 173.6 | 31.7 | -33.9 | 0 | 0 | 0 | 111.2 | A1049 | P1047-A1049 PolarHBondContact O-N 2.72Š|
| 1048 | T | 30.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | | | trans | -69.9 | 124.6 | -177.1 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1049 | A | 30.5 | Very low | 32.8 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -140.4 | 156.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P1047 | P1047-A1049 PolarHBondContact O-N 2.72Š|
| 1050 | K | 28.7 | Very low | 31.7 | Very low | 215 Ų | 215 | 130.6 Ų | 130.6 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | | | trans | -129.4 | 111.6 | -156.7 | -177.8 | -176.3 | -177.4 | -179.5 | 0 | 112 | | |
| 1051 | A | 27.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | | | trans | -153.5 | 147.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1052 | T | 30.6 | Very low | 30.3 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 161.2 | 179.1 | 17.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1053 | P | 32 | Very low | 30.3 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 155.3 | -170.1 | 34.9 | -36.2 | 0 | 0 | 0 | 114.1 | | |
| 1054 | P | 31.5 | Very low | 29.8 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 137 | 167.8 | 33.7 | -32.2 | 0 | 0 | 0 | 112 | | |
| 1055 | T | 26.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 134.9 | 169.7 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1056 | A | 28.3 | Very low | 29.6 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | | | trans | -128.4 | 156.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1057 | V | 31.3 | Very low | 29.4 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | -110.4 | 155.5 | -158 | -171.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1058 | S | 28.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -56.5 | 159.3 | -176.8 | -49.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1059 | P | 37.8 | Very low | 29.6 | Very low | 133 Ų | 133 | 136 Ų | 136 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -91.4 | 169.8 | -165.5 | 37.2 | -38.4 | 0 | 0 | 0 | 115.6 | | |
| 1060 | A | 24.1 | Very low | 29.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -142.9 | 118.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1061 | K | 30 | Very low | 29.9 | Very low | 194 Ų | 194 | 129.6 Ų | 129.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | 43 | 161.6 | 141.4 | -63.9 | -170.9 | 176.6 | -174.3 | 0 | 124 | | |
| 1062 | E | 23.2 | Very low | 29.9 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | 65.2 | 142.9 | 176.9 | -98.9 | 79 | -141 | 0 | 0 | 115.8 | | |
| 1063 | S | 27.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | cis | -153.2 | 167.3 | -0.7 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1064 | L | 25.4 | Very low | 29.5 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -84.6 | -177.9 | 169.1 | -92.2 | 170.6 | 0 | 0 | 0 | 111.1 | | |
| 1065 | P | 41.2 | Very low | 29.3 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | cis | -118.3 | -163.7 | 3.9 | 45.9 | -32.1 | 0 | 0 | 0 | 112.5 | | |
| 1066 | E | 22.9 | Very low | 29.4 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | cis | -149.7 | -159 | 1.6 | -139.6 | 157.3 | 91.2 | 0 | 0 | 106.8 | | |
| 1067 | I | 27.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | cis | -140.4 | 160 | 13 | -60.6 | 171.6 | 0 | 0 | 0 | 108.2 | | |
| 1068 | L | 29.5 | Very low | 29.1 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | | | trans | -111.4 | 156.8 | 172.1 | -67.5 | 174.5 | 0 | 0 | 0 | 112.5 | | |
| 1069 | P | 37.8 | Very low | 28.9 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | | -119.4 | 161.9 | 82.8 | -0.2 | 21.9 | 0 | 0 | 0 | 112.3 | | |
| 1070 | G | 26.3 | Very low | 28.5 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | cis | 99.1 | 140.6 | 23.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1071 | P | 39.5 | Very low | 28.6 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | cis | -127.6 | 168.9 | 23.9 | 42.4 | -29.6 | 0 | 0 | 0 | 115.7 | | |
| 1072 | D | 27.3 | Very low | 28.4 | Very low | 171 Ų | 171 | 131 Ų | 131 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | | | | -162.8 | 146.7 | 125.7 | -117.1 | -22.5 | 0 | 0 | 0 | 109.4 | | |
| 1073 | G | 26.5 | Very low | 28.7 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | 147.7 | 95.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1074 | S | 27.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -167.4 | 138.6 | 150.8 | -88.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1075 | A | 27.5 | Very low | 29 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | cis | -159 | -175.6 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1076 | A | 27.9 | Very low | 28.3 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | trans | 78.2 | 156.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1077 | S | 25.2 | Very low | 28.6 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -140.9 | -179.5 | -164.7 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1078 | T | 28.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 81.7 | 146.6 | 177.6 | 74 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1079 | R | 25.5 | Very low | 28.6 | Very low | 227 Ų | 227 | 118.8 Ų | 118.8 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | cis | -174.1 | 171.7 | -19.1 | 179 | -176.9 | 176.9 | -170.8 | -0.1 | 106.5 | | |
| 1080 | V | 27.6 | Very low | 28.3 | Very low | 108 Ų | 108 | 123 Ų | 123 | 66% | 0.655 | 78% | 0.776 | S | S | * | * | | | trans | 91 | 98.8 | 161.7 | -168.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1081 | Q | 27.6 | Very low | 28.3 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | | 43.1 | 135.4 | 128.2 | -59.2 | 178.1 | -41.5 | 0 | 0 | 123.8 | | |
| 1082 | S | 26.3 | Very low | 27.8 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | | 82.3 | 117.4 | 129.8 | 61.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1083 | S | 28 | Very low | 27.9 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | | 82.4 | 96.8 | 126.9 | -64 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1084 | A | 29.1 | Very low | 28.1 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | | | | 84.6 | 164 | 106.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1085 | A | 29.5 | Very low | 28.1 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 66 | 145.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1086 | S | 26.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | | | cis | 178.3 | -178.5 | -35 | 48.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1087 | T | 30.9 | Very low | 28.3 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | | | trans | 63.3 | 113.4 | 160.2 | 40.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1088 | E | 28.2 | Very low | 28.4 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | | 65.4 | 137.6 | 97.5 | -66.8 | -171.4 | 127.3 | 0 | 0 | 115 | | |
| 1089 | G | 27.4 | Very low | 28.5 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | cis | 162.5 | 162.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1090 | R | 30.6 | Very low | 28.6 | Very low | 215 Ų | 215 | 130.6 Ų | 130.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | 70.4 | 132.4 | 165.5 | -57.2 | 179 | 70.5 | 161.6 | -2.1 | 119.9 | | |
| 1091 | E | 27.5 | Very low | 28.7 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | 66.5 | 135 | 141.5 | -69.3 | 160.7 | -137.7 | 0 | 0 | 121.3 | | |
| 1092 | G | 28.9 | Very low | 28.8 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | 162.8 | 54.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1093 | I | 28.8 | Very low | 29 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | 48.6 | 119.9 | 136.6 | -65.1 | 174.9 | 0 | 0 | 0 | 120.8 | | |
| 1094 | V | 30.7 | Very low | 29.3 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | | | trans | 70.5 | 135.5 | 151.3 | 171.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1095 | G | 28.4 | Very low | 30.1 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | 157.9 | 115 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1096 | L | 29 | Very low | 30.1 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | | | trans | -80.7 | 139.9 | 168.5 | -82.8 | 64.9 | 0 | 0 | 0 | 110.4 | | |
| 1097 | S | 29.1 | Very low | 30.3 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | | -179.6 | 113.9 | 126.2 | -165.1 | 0 | 0 | 0 | 0 | 115 | | |
| 1098 | L | 29.1 | Very low | 30.5 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | 52.1 | 108.2 | 133.9 | -154.9 | 65.5 | 0 | 0 | 0 | 123.1 | | |
| 1099 | A | 28.9 | Very low | 30.8 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | trans | 59.3 | 117.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1100 | R | 28.2 | Very low | 31.5 | Very low | 229 Ų | 229 | 151.5 Ų | 151.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | | -162.9 | 134.4 | 113.7 | -119.1 | -165.7 | 163.4 | 106.5 | -5 | 115 | | |
| 1101 | V | 29.5 | Very low | 32.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | | | | 41.8 | 118.8 | 126.1 | 172.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1102 | V | 30.4 | Very low | 32.3 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | 63.5 | 101.6 | 148.4 | 178.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1103 | G | 30.1 | Very low | 32.6 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | | 76.5 | 124.4 | 106.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1104 | L | 33.3 | Very low | 32.9 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | -164.2 | 155.8 | 138.9 | -98 | 155 | 0 | 0 | 0 | 108.3 | | |
| 1105 | P | 46.2 | Very low | 33.2 | Very low | 97 Ų | 97 | 148 Ų | 148 | 63% | 0.63 | 81% | 0.806 | S | S | * | * | | | trans | -95.7 | 168.7 | -172.8 | 37.8 | -34.7 | 0 | 0 | 0 | 113.2 | | |
| 1106 | F | 30.5 | Very low | 33.7 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | | -176.5 | 153.4 | 122.5 | -118.8 | -96.3 | 0 | 0 | 0 | 115.3 | | |
| 1107 | S | 31.4 | Very low | 34.2 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | | | trans | 39.5 | 105.9 | 154.4 | 56.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1108 | R | 34.3 | Very low | 34.8 | Very low | 239 Ų | 239 | 147.6 Ų | 147.6 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | | 32.6 | 111.7 | 107.8 | -176.2 | -162.7 | -67.5 | -131.7 | -0.9 | 118.2 | | |
| 1109 | R | 35.2 | Very low | 35.2 | Very low | 243 Ų | 243 | 149.2 Ų | 149.2 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | | | trans | -141.8 | 154.4 | 138.8 | -70.1 | -165.8 | -170.7 | -105 | -0.1 | 110.8 | | |
| 1110 | R | 40.7 | Very low | 35.9 | Very low | 231 Ų | 231 | 158.1 Ų | 158.1 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | | | trans | -83.1 | 154 | 163.9 | -75.2 | 178.2 | 170.9 | 171.1 | -5.6 | 109.5 | | |
| 1111 | P | 44 | Very low | 36.3 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | | | | -116.7 | 157.3 | 105.7 | 33.1 | -31.8 | 0 | 0 | 0 | 111.3 | | |
| 1112 | S | 31.8 | Very low | 36.6 | Very low | 109 Ų | 109 | 156.6 Ų | 156.6 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | | | cis | 64.4 | 98.6 | 10.2 | 79.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1113 | G | 34.2 | Very low | 37 | Very low | 81 Ų | 81 | 157.7 Ų | 157.7 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | trans | 158 | 89.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1114 | E | 36.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 163.1 Ų | 163.1 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | | | trans | -64.8 | -178.8 | 162.5 | -174.3 | 167.9 | -175 | 0 | 0 | 111.7 | | |
| 1115 | E | 37.5 | Very low | 37.6 | Very low | 187 Ų | 187 | 162.4 Ų | 162.4 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | | | trans | 70.3 | 157.2 | 179.8 | -56.7 | -166.5 | 136.2 | 0 | 0 | 117.4 | | |
| 1116 | A | 38.5 | Very low | 37.1 | Very low | 81 Ų | 81 | 166.7 Ų | 166.7 | 67% | 0.669 | 85% | 0.852 | S | S | * | * | | | cis | -168.3 | 149 | -37.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1117 | I | 39.5 | Very low | 37.5 | Very low | 171 Ų | 171 | 164.9 Ų | 164.9 | 88% | 0.877 | 85% | 0.852 | S | S | * | * | | | trans | 15.1 | 109.1 | 147.9 | -49.3 | 169.1 | 0 | 0 | 0 | 117.4 | | |
| 1118 | A | 40.9 | Very low | 38 | Very low | 101 Ų | 101 | 170.4 Ų | 170.4 | 84% | 0.835 | 87% | 0.867 | S | S | * | * | | | trans | -148.1 | 139.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1119 | Q | 38.4 | Very low | 38.3 | Very low | 192 Ų | 192 | 164.7 Ų | 164.7 | 90% | 0.897 | 87% | 0.865 | S | S | * | * | | | trans | -78.9 | 146.9 | -172.8 | -58.7 | 155.7 | -37 | 0 | 0 | 112.7 | | |
| 1120 | K | 42.4 | Very low | 38.6 | Very low | 275 Ų | 275 | 157.5 Ų | 157.5 | 100% | 1.196 | 86% | 0.86 | S | S | * | * | | | | -155.7 | 0 | 119.3 | -143.8 | 171.8 | -175.7 | 176.7 | 0 | 112.6 | | |